data_2jst_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 2jst _Structure_validation_residue.Date_analyzed 2016-10-07 loop_ _Residue_analysis_software.Software_ID _Residue_analysis_software.Software_label _Residue_analysis_software.Method_ID _Residue_analysis_software.Method_label _Residue_analysis_software.Entry_ID _Residue_analysis_software.Structure_validation_oneline_list_ID 1 MolProbity . . ? 1 2 CYRANGE . . ? 1 stop_ loop_ _Residue_analysis.ID _Residue_analysis.PDB_model_num _Residue_analysis.Hydrogen_positions _Residue_analysis.MolProbity_flips _Residue_analysis.Cyrange_core_flag _Residue_analysis.Two_letter_chain_ID _Residue_analysis.PDB_strand_ID _Residue_analysis.PDB_residue_no _Residue_analysis.PDB_ins_code _Residue_analysis.PDB_residue_name _Residue_analysis.Assembly_ID _Residue_analysis.Entity_assembly_ID _Residue_analysis.Entity_ID _Residue_analysis.Comp_ID _Residue_analysis.Comp_index_ID _Residue_analysis.Clash_value _Residue_analysis.Clash_source_PDB_atom_name _Residue_analysis.Clash_destination_PDB_atom_name _Residue_analysis.Clash_destination_PDB_strand_ID _Residue_analysis.Clash_destination_PDB_residue_no _Residue_analysis.Clash_destination_PDB_ins_code _Residue_analysis.Clash_destination_PDB_residue_name _Residue_analysis.Cbeta_deviation_value _Residue_analysis.Rotamer_score _Residue_analysis.Rotamer_name _Residue_analysis.Ramachandran_phi _Residue_analysis.Ramachandran_psi _Residue_analysis.Ramachandran_score _Residue_analysis.Ramachandran_evaluation _Residue_analysis.Ramachandran_type _Residue_analysis.Bond_outlier_count _Residue_analysis.Worst_bond _Residue_analysis.Worst_bond_value _Residue_analysis.Worst_bond_sigma _Residue_analysis.Angle_outlier_count _Residue_analysis.Worst_angle _Residue_analysis.Worst_angle_value _Residue_analysis.Worst_angle_sigma _Residue_analysis.RNA_phosphate_perpendicular_outlier _Residue_analysis.RNA_suitness_score _Residue_analysis.RNA_suite_conformer _Residue_analysis.RNA_suite_triage _Residue_analysis.Max_b_factor _Residue_analysis.Tau_angle _Residue_analysis.Omega_dihedral _Residue_analysis.Disulfide_chi1 _Residue_analysis.Disulfide_chi2 _Residue_analysis.Disulfide_chi3 _Residue_analysis.Disulfide_ss_angle _Residue_analysis.Disulfide_ss _Residue_analysis.Disulfide_ss_angle_prime _Residue_analysis.Disulfide_chi2prime _Residue_analysis.Disulfide_chi1prime _Residue_analysis.Outlier_count_separate_geometry _Residue_analysis.Outlier_count _Residue_analysis.Entry_ID _Residue_analysis.Structure_validation_residue_list_ID . 001 nuclear orig core ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 33.9 tptt . . . . . 0 C--O 1.231 0.122 0 CA-C-O 120.847 0.356 . . . . 75.51 110.849 . . . . . . . . . 0 0 . 1 . 001 nuclear orig core ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -179.33 -37.76 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.235 -0.439 . . . . 75.03 110.913 179.955 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 4.3 mm? -116.89 -26.98 6.72 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.224 -0.443 . . . . 74.41 110.902 179.933 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 2.1 mtt85 -72.05 -45.46 60.69 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.205 -0.452 . . . . 73.21 110.908 179.951 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 2.4 tt0 -53.81 -28.23 34.01 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.17 -0.468 . . . . 74.31 110.926 -179.99 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 15.9 mm-40 -54.96 -29.93 57.86 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.16 -0.473 . . . . 73.35 110.903 -179.941 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -74.15 -26.98 60.62 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.168 -0.469 . . . . 74.21 111.093 179.896 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -64.13 -40.86 97.08 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.213 -0.449 . . . . 71.2 111.093 179.946 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -65.77 -35.13 79.85 Favored 'General case' 0 C--N 1.33 -0.283 0 CA-C-N 116.188 -0.46 . . . . 70.43 110.904 -179.973 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 51.1 mt -51.89 -44.06 63.59 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.221 -0.445 . . . . 65.24 110.942 179.881 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 22.4 m-85 -74.09 -23.51 59.34 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.121 -0.49 . . . . 74.43 110.811 -179.984 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -59.03 -37.38 76.82 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.195 -0.457 . . . . 74.41 110.913 -179.952 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 7.4 mt-10 -75.02 -34.97 61.97 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.151 -0.477 . . . . 75.43 110.823 -179.895 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 15' ' ' TRP . . . . . . . . . . . . . 11.4 m0 -55.76 -47.67 76.61 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 116.178 -0.465 . . . . 72.35 110.932 -179.902 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 12.4 tttm -76.62 -25.93 54.38 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.226 -0.443 . . . . 72.13 110.917 179.871 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -67.9 -59.14 3.51 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.237 -0.438 . . . . 73.24 110.889 179.864 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 19.1 mt -55.18 -32.68 62.37 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.229 -0.442 . . . . 74.34 110.888 179.876 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -63.38 -24.82 68.01 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.216 -0.447 . . . . 72.35 111.108 179.81 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 1.3 mt-10 -73.08 -49.54 27.93 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.274 -0.421 . . . . 75.11 110.879 -179.907 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 2.1 mm-40 -74.26 -48.47 28.47 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.131 -0.486 . . . . 71.32 110.928 -179.929 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -57.78 -22.42 47.06 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.111 -0.495 . . . . 73.2 111.074 179.947 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -75.95 -54.86 6.23 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.197 -0.456 . . . . 74.41 111.079 179.961 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -65.87 -30.44 71.05 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.251 -0.431 . . . . 70.21 110.919 179.961 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 5.8 mt -77.82 -41.67 36.31 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.223 -0.444 . . . . 73.21 110.845 179.976 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 5.4 mt -50.38 -50.33 51.86 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 116.215 -0.448 . . . . 73.12 110.963 179.876 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 1.7 mt-10 -90.78 12.29 19.72 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.13 -0.486 . . . . 74.43 110.914 179.859 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . -59.71 -14.25 28.5 Favored Glycine 0 N--CA 1.451 -0.351 0 C-N-CA 120.816 -0.707 . . . . 60.45 112.499 -179.985 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . 135.36 45.25 0.1 OUTLIER Glycine 0 N--CA 1.452 -0.283 0 C-N-CA 120.709 -0.757 . . . . 70.4 112.518 -179.88 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . -111.85 -44.98 0.85 Allowed Glycine 0 N--CA 1.451 -0.306 0 C-N-CA 120.72 -0.752 . . . . 62.1 112.432 -179.883 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . -175.88 130.98 1.8 Allowed Glycine 0 N--CA 1.452 -0.275 0 C-N-CA 120.779 -0.724 . . . . 44.44 112.51 -179.899 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . -137.9 111.29 0.81 Allowed Glycine 0 N--CA 1.451 -0.33 0 C-N-CA 120.773 -0.727 . . . . 72.24 112.492 -179.942 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -111.39 -45.18 0.87 Allowed Glycine 0 N--CA 1.451 -0.306 0 C-N-CA 120.753 -0.737 . . . . 64.42 112.472 -179.918 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . -152.26 156.29 26.61 Favored Glycine 0 N--CA 1.452 -0.263 0 C-N-CA 120.655 -0.783 . . . . 71.03 112.468 -179.884 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . -69.05 -47.05 56.44 Favored Glycine 0 N--CA 1.451 -0.336 0 C-N-CA 120.73 -0.748 . . . . 73.3 112.452 -179.843 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 13.9 tt0 -60.84 -37.05 80.73 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 120.886 0.374 . . . . 74.32 110.849 -179.89 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 46.5 tp -52.66 -56.74 13.32 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.232 -0.44 . . . . 73.52 110.967 -179.972 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 38' ' ' MET . . . . . . . . . . . . . 0.9 OUTLIER -67.37 -26.89 66.69 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.177 -0.465 . . . . 74.44 110.88 179.82 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 22.3 tttt -54.03 -29.65 44.52 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.206 -0.452 . . . . 73.33 110.853 179.968 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 22.3 mt -61.94 -29.47 70.25 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.265 -0.425 . . . . 73.44 110.877 179.96 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 41' ' ' CYS . . . . . . . . . . . . . 23.0 m -71.88 -49.2 40.03 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.199 -0.455 . . . . 64.55 110.834 179.981 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 2.1 mt-10 -65.8 -25.98 67.48 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.168 -0.469 . . . . 74.12 110.876 -179.822 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 2.9 mm-40 -54.99 -28.1 49.3 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.197 -0.456 . . . . 75.5 110.907 -179.923 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -51.94 -43.34 63.43 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.098 -0.501 . . . . 74.43 111.08 179.894 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -75.09 -23.67 58.01 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.236 -0.438 . . . . 44.31 111.093 179.929 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -69.06 -46.82 66.87 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 116.291 -0.413 . . . . 75.42 110.925 179.9 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 3.6 mptp? -66.88 -56.9 8.26 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.208 -0.451 . . . . 75.52 110.927 179.886 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -54.45 -27.25 36.06 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.247 -0.433 . . . . 73.32 111.035 179.832 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 4.1 tm-20 -70.28 -44.39 68.48 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.228 -0.442 . . . . 73.35 110.874 -179.888 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -54.19 -51.03 65.65 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.144 -0.48 . . . . 75.45 110.93 -179.935 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 3.4 pp -73.0 -30.91 64.15 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.1 -0.5 . . . . 63.44 110.912 -179.963 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 52' ' ' PHE . . . . . . . . . . . . . 61.2 t80 -60.49 -24.03 64.97 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.215 -0.448 . . . . 71.32 110.893 179.92 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -70.33 -56.67 6.15 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.121 -0.49 . . . . 75.45 110.955 179.948 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 54' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -72.46 -25.51 61.47 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.138 -0.483 . . . . 64.24 110.889 179.905 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -56.09 -25.0 43.65 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.211 -0.449 . . . . 73.35 111.1 179.841 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 7.2 mt-10 -77.0 -26.23 53.61 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.215 -0.448 . . . . 70.33 110.904 -179.96 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -61.46 -49.31 77.3 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.132 -0.485 . . . . 71.41 110.882 -179.867 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -78.04 -21.76 50.21 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.201 -0.454 . . . . 75.03 110.881 -179.966 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 59' ' ' LEU . . . . . . . . . . . . . 6.5 mp -85.13 -77.5 0.28 Allowed 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.213 -0.449 . . . . 73.22 110.974 179.96 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -100.98 -175.66 2.94 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.238 -0.437 . . . . 74.31 110.964 179.749 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 8.6 mtpt -114.76 87.14 2.58 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.259 -0.428 . . . . 74.13 110.878 179.925 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 11.5 mt . . . . . 0 C--N 1.329 -0.302 0 CA-C-N 116.211 -0.449 . . . . 75.42 110.967 179.907 . . . . . . . . 0 0 . 1 . 001 nuclear orig core ' B' B ' 1' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.232 0.152 0 CA-C-O 120.858 0.361 . . . . 74.35 110.929 . . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 2' ' ' LYS . . . . . . . . . . . . . 33.9 tptt -72.94 -74.56 0.17 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.241 -0.436 . . . . 74.34 110.822 -179.939 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 3' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -179.38 -37.69 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.203 -0.453 . . . . 74.23 110.887 179.891 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' B' B ' 4' ' ' LEU . . . . . . . . . . . . . 4.3 mm? -116.94 -26.93 6.72 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.248 -0.433 . . . . 73.5 110.901 179.939 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 5' ' ' ARG . . . . . . . . . . . . . 2.1 mtt85 -72.06 -45.51 60.48 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.216 -0.447 . . . . 74.5 110.875 179.942 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 6' ' ' GLU . . . . . . . . . . . . . 2.5 tt0 -53.79 -28.27 34.02 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.209 -0.45 . . . . 64.33 110.836 -179.893 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 7' ' ' GLU . . . . . . . . . . . . . 16.0 mm-40 -54.94 -29.98 57.72 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.211 -0.45 . . . . 72.32 110.906 -179.897 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 8' ' ' ALA . . . . . . . . . . . . . . . -74.08 -27.02 60.7 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.105 -0.498 . . . . 62.53 111.124 179.878 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 9' ' ' ALA . . . . . . . . . . . . . . . -64.18 -40.85 96.97 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.237 -0.438 . . . . 73.12 111.07 179.933 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 10' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -65.67 -35.29 80.35 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.278 -0.419 . . . . 70.13 110.94 179.957 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' B' B ' 11' ' ' LEU . . . . . . . . . . . . . 50.7 mt -51.94 -44.03 63.74 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.196 -0.456 . . . . 74.23 110.895 179.92 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 12' ' ' PHE . . . . . . . . . . . . . 22.3 m-85 -73.99 -23.53 59.46 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.227 -0.442 . . . . 74.22 110.903 179.933 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 13' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -58.62 -37.36 75.71 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.094 -0.503 . . . . 74.42 110.914 -179.937 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' B' B ' 14' ' ' GLU . . . . . . . . . . . . . 7.4 mt-10 -75.02 -34.89 61.97 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.123 -0.49 . . . . 61.01 110.898 -179.943 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 15' ' ' TRP . . . . . . . . . . . . . 11.3 m0 -55.36 -47.9 75.08 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.181 -0.463 . . . . 70.21 110.924 -179.997 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 16' ' ' LYS . . . . . . . . . . . . . 12.4 tttm -76.56 -26.11 54.76 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.224 -0.444 . . . . 74.54 110.865 179.996 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 17' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -68.12 -58.99 3.58 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.217 -0.447 . . . . 65.33 110.827 179.925 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' B' B ' 18' ' ' LEU . . . . . . . . . . . . . 19.0 mt -55.26 -32.43 62.34 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.239 -0.437 . . . . 73.14 110.956 179.912 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 19' ' ' ALA . . . . . . . . . . . . . . . -63.74 -24.74 67.89 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.113 -0.494 . . . . 73.21 111.096 179.837 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 20' ' ' GLU . . . . . . . . . . . . . 1.3 mt-10 -73.24 -49.54 27.28 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.212 -0.449 . . . . 64.31 110.871 -179.923 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 21' ' ' GLU . . . . . . . . . . . . . 2.1 mm-40 -74.23 -48.44 28.8 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.151 -0.477 . . . . 74.54 110.895 -179.929 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 22' ' ' ALA . . . . . . . . . . . . . . . -57.86 -22.2 46.77 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.177 -0.465 . . . . 42.14 111.135 179.953 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 23' ' ' ALA . . . . . . . . . . . . . . . -76.01 -54.82 6.29 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.198 -0.456 . . . . 74.44 111.097 179.897 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 24' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -65.93 -30.41 70.99 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.234 -0.439 . . . . 74.44 110.932 179.936 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' B' B ' 25' ' ' LEU . . . . . . . . . . . . . 5.8 mt -77.79 -41.64 36.63 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.211 -0.449 . . . . 72.13 110.923 179.895 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 26' ' ' LEU . . . . . . . . . . . . . 5.4 mt -50.46 -50.32 52.71 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.16 -0.473 . . . . 72.22 110.88 179.919 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 27' ' ' GLU . . . . . . . . . . . . . 1.7 mt-10 -90.8 12.19 20.09 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.194 -0.457 . . . . 70.12 110.883 179.962 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 28' ' ' GLY . . . . . . . . . . . . . . . -59.69 -14.24 28.28 Favored Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.742 -0.742 . . . . 74.24 112.506 -179.975 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 29' ' ' GLY . . . . . . . . . . . . . . . 135.43 45.21 0.1 OUTLIER Glycine 0 N--CA 1.452 -0.266 0 C-N-CA 120.673 -0.775 . . . . 75.02 112.46 -179.929 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 30' ' ' GLY . . . . . . . . . . . . . . . -111.81 -44.82 0.86 Allowed Glycine 0 N--CA 1.45 -0.4 0 C-N-CA 120.732 -0.746 . . . . 75.31 112.537 -179.918 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 31' ' ' GLY . . . . . . . . . . . . . . . -176.01 131.13 1.82 Allowed Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.738 -0.744 . . . . 73.54 112.45 -179.993 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 32' ' ' GLY . . . . . . . . . . . . . . . -137.95 111.17 0.8 Allowed Glycine 0 N--CA 1.452 -0.248 0 C-N-CA 120.75 -0.738 . . . . 71.44 112.512 -179.929 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 33' ' ' GLY . . . . . . . . . . . . . . . -111.42 -45.1 0.87 Allowed Glycine 0 N--CA 1.452 -0.292 0 C-N-CA 120.655 -0.783 . . . . 73.42 112.507 -179.921 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 34' ' ' GLY . . . . . . . . . . . . . . . -152.24 156.24 26.59 Favored Glycine 0 N--CA 1.452 -0.296 0 C-N-CA 120.727 -0.749 . . . . 62.54 112.493 -179.868 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 35' ' ' GLY . . . . . . . . . . . . . . . -68.86 -47.13 57.13 Favored Glycine 0 N--CA 1.45 -0.387 0 C-N-CA 120.724 -0.751 . . . . 52.03 112.506 -179.902 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 36' ' ' GLU . . . . . . . . . . . . . 14.0 tt0 -60.81 -37.13 80.91 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 120.925 0.393 . . . . 74.52 110.848 -179.866 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 37' ' ' LEU . . . . . . . . . . . . . 46.7 tp -52.63 -56.75 13.23 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.18 -0.464 . . . . 73.13 110.991 179.996 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 38' ' ' MET . . . . . . . . . . . . . 0.9 OUTLIER -67.2 -26.96 66.88 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.226 -0.443 . . . . 71.21 110.884 179.769 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' B' B ' 39' ' ' LYS . . . . . . . . . . . . . 22.2 tttt -54.06 -29.56 44.64 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.253 -0.431 . . . . 74.21 110.914 179.952 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 40' ' ' LEU . . . . . . . . . . . . . 22.6 mt -61.84 -29.36 70.12 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.219 -0.446 . . . . 70.44 110.959 179.872 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 41' ' ' CYS . . . . . . . . . . . . . 23.5 m -71.77 -49.32 39.95 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.176 -0.466 . . . . 73.11 110.897 179.906 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 42' ' ' GLU . . . . . . . . . . . . . 2.1 mt-10 -65.83 -25.87 67.41 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.179 -0.464 . . . . 74.14 110.878 -179.843 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 43' ' ' GLU . . . . . . . . . . . . . 2.9 mm-40 -55.0 -28.3 50.92 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 116.18 -0.463 . . . . 75.34 110.876 -179.966 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 44' ' ' ALA . . . . . . . . . . . . . . . -51.92 -43.25 63.33 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.169 -0.469 . . . . 71.43 111.127 179.954 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 45' ' ' ALA . . . . . . . . . . . . . . . -75.08 -23.74 58.06 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.193 -0.458 . . . . 64.02 111.064 179.933 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 46' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -69.18 -46.8 66.6 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.21 -0.45 . . . . 74.35 110.873 179.984 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' B' B ' 47' ' ' LYS . . . . . . . . . . . . . 3.6 mptp? -66.99 -56.87 8.27 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.252 -0.431 . . . . 75.51 110.928 179.881 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 48' ' ' ALA . . . . . . . . . . . . . . . -54.39 -27.07 34.08 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.261 -0.427 . . . . 54.31 111.114 179.799 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 49' ' ' GLU . . . . . . . . . . . . . 4.1 tm-20 -70.43 -44.33 68.11 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.2 -0.455 . . . . 65.55 110.932 -179.945 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 50' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -54.03 -51.05 65.23 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.13 -0.486 . . . . 71.44 110.96 179.979 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' B' B ' 51' ' ' LEU . . . . . . . . . . . . . 3.5 pp -73.05 -31.01 64.14 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.119 -0.491 . . . . 73.25 110.931 -179.991 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 52' ' ' PHE . . . . . . . . . . . . . 60.8 t80 -60.58 -24.02 65.11 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.192 -0.458 . . . . 73.41 110.89 179.94 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 53' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -70.34 -56.75 5.93 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.104 -0.498 . . . . 74.24 110.894 179.96 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' B' B ' 54' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -72.4 -25.51 61.52 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.217 -0.447 . . . . 74.22 110.912 179.883 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' B' B ' 55' ' ' ALA . . . . . . . . . . . . . . . -56.08 -24.96 43.34 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.27 -0.423 . . . . 73.02 111.118 179.855 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 56' ' ' GLU . . . . . . . . . . . . . 7.2 mt-10 -77.11 -26.18 53.02 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.166 -0.47 . . . . 71.45 110.864 -179.937 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 57' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -61.49 -49.28 77.38 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.15 -0.477 . . . . 63.14 110.83 -179.88 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' B' B ' 58' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -78.06 -21.83 50.01 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.241 -0.436 . . . . 73.05 110.816 -179.884 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' B' B ' 59' ' ' LEU . . . . . . . . . . . . . 6.5 mp -85.1 -77.55 0.28 Allowed 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.202 -0.454 . . . . 73.11 110.874 -179.952 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 60' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -100.99 -175.56 2.91 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.195 -0.457 . . . . 75.12 110.912 179.849 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' B' B ' 61' ' ' LYS . . . . . . . . . . . . . 8.7 mtpt -114.72 86.98 2.54 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.271 -0.422 . . . . 73.24 110.978 179.822 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 62' ' ' LEU . . . . . . . . . . . . . 11.5 mt . . . . . 0 C--N 1.329 -0.32 0 CA-C-N 116.239 -0.437 . . . . 60.11 110.884 179.948 . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.232 0.153 0 CA-C-O 120.805 0.336 . . . . 75.04 110.956 . . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 15.9 mttm -153.04 -64.2 0.15 Allowed 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.285 -0.416 . . . . 75.51 110.877 179.85 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 2.3 mm? -116.45 -21.16 9.36 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.224 -0.444 . . . . 74.32 110.977 179.895 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 7.7 mmt180 -69.63 -43.81 71.89 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.202 -0.454 . . . . 71.41 110.883 179.941 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -53.44 -28.59 30.95 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.255 -0.429 . . . . 75.12 110.887 -179.943 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 4.6 mt-10 -57.6 -28.65 63.83 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.128 -0.487 . . . . 74.2 110.901 -179.975 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -76.03 -28.26 57.65 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.148 -0.478 . . . . 73.13 111.087 179.956 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -61.94 -43.23 99.28 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.272 -0.422 . . . . 64.32 111.078 179.962 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 4.6 mttm -56.12 -31.29 63.18 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.255 -0.429 . . . . 73.2 110.922 179.927 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 51.8 mt -51.8 -46.25 64.17 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.272 -0.422 . . . . 75.34 110.972 179.865 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 21.4 m-85 -74.06 -25.16 59.69 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.202 -0.454 . . . . 74.34 110.869 179.979 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 25.4 tt0 -54.15 -32.88 56.56 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-N 116.101 -0.5 . . . . 71.14 110.907 -179.949 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 9.2 mt-10 -66.4 -32.56 74.02 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.216 -0.447 . . . . 63.34 110.898 -179.906 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 15' ' ' TRP . . . . . . . . . . . . . 3.5 t90 -67.97 -44.45 76.67 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.105 -0.498 . . . . 72.2 110.926 -179.967 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 9.9 ttpt -77.14 -32.12 56.11 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.204 -0.453 . . . . 71.42 110.992 179.84 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -73.79 -52.36 13.39 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.175 -0.466 . . . . 74.34 110.95 179.8 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 61.3 mt -55.93 -28.18 55.71 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.163 -0.471 . . . . 75.21 110.892 179.936 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -72.24 -24.13 61.33 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.204 -0.453 . . . . 63.24 111.13 179.781 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 10.1 mt-10 -73.43 -49.51 26.61 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.208 -0.451 . . . . 65.23 110.893 -179.967 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 1.9 mm-40 -74.14 -51.53 15.3 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.199 -0.455 . . . . 74.0 110.92 -179.96 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -53.04 -29.83 32.17 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.187 -0.46 . . . . 70.31 111.092 179.912 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -71.67 -54.0 11.76 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.262 -0.426 . . . . 70.25 111.078 179.932 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 14.0 ptmt -64.86 -33.07 75.14 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 116.329 -0.396 . . . . 73.44 110.917 179.961 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 4.2 mt -76.27 -41.81 47.68 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.198 -0.455 . . . . 73.11 110.903 179.885 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 4.0 mt -50.81 -48.16 59.8 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.243 -0.435 . . . . 70.01 110.951 179.888 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 37.2 mm-40 -95.35 12.49 28.99 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.159 -0.473 . . . . 75.23 110.821 179.956 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . -59.49 -14.4 27.62 Favored Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.748 -0.739 . . . . 62.04 112.558 179.99 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . 135.38 45.63 0.1 OUTLIER Glycine 0 N--CA 1.452 -0.276 0 C-N-CA 120.676 -0.773 . . . . 73.43 112.467 -179.876 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . -137.41 43.74 1.19 Allowed Glycine 0 N--CA 1.452 -0.298 0 C-N-CA 120.743 -0.741 . . . . 63.1 112.453 -179.869 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . 150.24 60.81 0.01 OUTLIER Glycine 0 N--CA 1.45 -0.371 0 C-N-CA 120.787 -0.72 . . . . 65.31 112.531 -179.94 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . 54.05 -101.79 0.1 Allowed Glycine 0 N--CA 1.453 -0.219 0 C-N-CA 120.675 -0.774 . . . . 73.22 112.494 -179.847 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . 179.11 -128.37 1.24 Allowed Glycine 0 N--CA 1.45 -0.367 0 C-N-CA 120.769 -0.729 . . . . 61.54 112.488 -179.855 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 86.98 123.44 1.66 Allowed Glycine 0 N--CA 1.452 -0.267 0 C-N-CA 120.72 -0.752 . . . . 65.2 112.507 -179.891 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . -70.99 -43.04 58.45 Favored Glycine 0 N--CA 1.452 -0.266 0 C-N-CA 120.697 -0.764 . . . . 71.15 112.443 -179.857 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 29.7 tt0 -52.09 -36.31 50.49 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 120.929 0.395 . . . . 74.32 110.924 -179.924 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 23.3 tp -62.85 -39.34 94.07 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.134 -0.485 . . . . 73.11 110.958 179.998 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 38' ' ' MET . . . . . . . . . . . . . 3.5 ttp -72.62 -25.29 61.25 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.139 -0.482 . . . . 74.23 110.931 179.806 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 7.2 ttmm -54.06 -29.21 43.31 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.161 -0.472 . . . . 72.34 110.872 180.0 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 2.7 mt -61.64 -59.05 5.78 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.239 -0.437 . . . . 74.02 110.912 179.958 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 41' ' ' CYS . . . . . . . . . . . . . 18.2 p -69.08 -24.37 64.13 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.194 -0.457 . . . . 73.13 110.918 179.966 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 32.7 tt0 -55.75 -25.43 40.62 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 116.141 -0.481 . . . . 71.02 110.847 -179.833 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 2.7 mm-40 -54.64 -37.86 66.17 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.177 -0.465 . . . . 75.54 110.857 -179.907 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -51.75 -41.92 61.95 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.206 -0.452 . . . . 55.21 111.079 179.958 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -75.26 -22.93 57.46 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.237 -0.438 . . . . 75.14 111.088 179.912 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -75.73 -48.92 19.88 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.233 -0.44 . . . . 71.52 110.934 179.955 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -54.95 -55.28 32.43 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.25 -0.432 . . . . 74.42 110.832 179.879 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -51.94 -36.96 51.07 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.197 -0.456 . . . . 64.53 111.142 179.866 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 1.4 tt0 -63.79 -45.14 91.07 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.114 -0.494 . . . . 64.14 110.845 -179.875 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 6.2 mm-40 -74.03 -27.53 60.98 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.145 -0.48 . . . . 73.13 110.962 -179.968 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 11.9 mt -73.1 -53.38 11.18 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.126 -0.488 . . . . 74.03 110.902 -179.967 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 52' ' ' PHE . . . . . . . . . . . . . 70.2 t80 -55.92 -32.45 63.79 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.223 -0.444 . . . . 75.45 110.848 179.957 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 1.9 mmmm -51.97 -59.36 4.43 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.134 -0.484 . . . . 62.22 110.914 -179.988 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 54' ' ' LEU . . . . . . . . . . . . . 4.5 mm? -75.67 -24.13 56.3 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.225 -0.443 . . . . 72.43 110.957 179.899 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -55.21 -37.67 67.43 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.104 -0.498 . . . . 64.33 111.071 179.796 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 16.2 mt-10 -52.42 -29.42 24.27 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.219 -0.446 . . . . 54.34 110.863 -179.872 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 3.1 tm-20 -70.1 -47.83 60.18 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.146 -0.479 . . . . 75.33 110.974 -179.982 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -77.95 -13.61 59.82 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.168 -0.469 . . . . 74.13 110.858 -179.952 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 59' ' ' LEU . . . . . . . . . . . . . 10.7 mt -94.86 -61.46 1.49 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.203 -0.453 . . . . 72.02 110.902 -179.961 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -119.88 -175.94 3.08 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.176 -0.465 . . . . 75.24 110.886 179.806 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -109.81 89.76 3.11 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.187 -0.46 . . . . 75.55 110.9 179.893 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER . . . . . 0 C--N 1.328 -0.353 0 CA-C-N 116.233 -0.44 . . . . 70.33 110.913 179.93 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 1' ' ' MET . . . . . . . . . . . . . 1.9 mtt . . . . . 0 C--O 1.232 0.182 0 CA-C-O 120.759 0.314 . . . . 72.02 110.834 . . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' B' B ' 2' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -114.06 177.92 4.46 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 116.27 -0.423 . . . . 63.23 110.913 179.964 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' B' B ' 3' ' ' LYS . . . . . . . . . . . . . 15.9 mttm -152.97 -64.53 0.16 Allowed 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.229 -0.441 . . . . 75.01 110.939 179.932 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 4' ' ' LEU . . . . . . . . . . . . . 2.3 mm? -116.49 -21.31 9.26 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.199 -0.455 . . . . 74.25 110.967 179.891 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 5' ' ' ARG . . . . . . . . . . . . . 7.7 mmt180 -69.36 -43.64 73.17 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.151 -0.477 . . . . 65.23 110.904 179.959 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 6' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -53.62 -29.04 36.08 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.205 -0.452 . . . . 74.43 110.882 -179.941 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' B' B ' 7' ' ' GLU . . . . . . . . . . . . . 4.6 mt-10 -57.12 -28.65 62.89 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.156 -0.475 . . . . 74.41 110.878 -179.979 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 8' ' ' ALA . . . . . . . . . . . . . . . -75.98 -27.78 57.59 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.232 -0.44 . . . . 63.34 111.129 179.927 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 9' ' ' ALA . . . . . . . . . . . . . . . -63.06 -41.12 99.39 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.231 -0.441 . . . . 73.52 111.048 179.951 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 10' ' ' LYS . . . . . . . . . . . . . 4.6 mttm -56.3 -32.66 64.8 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.232 -0.44 . . . . 61.22 110.933 179.969 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 11' ' ' LEU . . . . . . . . . . . . . 48.0 mt -51.82 -45.39 63.92 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.206 -0.452 . . . . 75.24 110.974 179.907 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 12' ' ' PHE . . . . . . . . . . . . . 22.2 m-85 -74.09 -25.96 60.1 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.137 -0.483 . . . . 74.34 110.883 179.903 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 13' ' ' GLU . . . . . . . . . . . . . 25.3 tt0 -58.16 -42.77 86.71 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.138 -0.483 . . . . 74.53 110.932 -179.9 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 14' ' ' GLU . . . . . . . . . . . . . 6.9 mt-10 -75.01 -28.06 60.35 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.129 -0.487 . . . . 62.1 110.893 -179.974 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 15' ' ' TRP . . . . . . . . . . . . . 2.6 m0 -59.7 -47.52 85.32 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.17 -0.468 . . . . 74.2 110.971 -179.935 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 16' ' ' LYS . . . . . . . . . . . . . 9.7 ttpt -77.31 -27.04 52.76 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.261 -0.427 . . . . 75.25 110.865 179.884 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 17' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -67.02 -51.79 50.53 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.302 -0.408 . . . . 72.54 110.877 179.855 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' B' B ' 18' ' ' LEU . . . . . . . . . . . . . 50.2 mt -56.53 -26.42 54.7 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.215 -0.448 . . . . 72.25 110.921 179.898 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 19' ' ' ALA . . . . . . . . . . . . . . . -72.72 -21.7 61.0 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.149 -0.478 . . . . 74.23 111.111 179.8 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 20' ' ' GLU . . . . . . . . . . . . . 11.7 mt-10 -73.14 -49.38 28.63 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.245 -0.434 . . . . 74.5 110.912 -179.913 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 21' ' ' GLU . . . . . . . . . . . . . 1.9 mm-40 -73.96 -51.46 15.94 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.106 -0.497 . . . . 71.24 110.851 -179.951 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 22' ' ' ALA . . . . . . . . . . . . . . . -53.27 -30.19 37.19 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.177 -0.465 . . . . 72.13 111.08 179.99 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 23' ' ' ALA . . . . . . . . . . . . . . . -71.32 -54.04 12.17 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.207 -0.452 . . . . 73.4 111.079 179.942 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 24' ' ' LYS . . . . . . . . . . . . . 14.0 ptmt -64.75 -33.19 75.39 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.234 -0.439 . . . . 72.22 110.842 179.998 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 25' ' ' LEU . . . . . . . . . . . . . 4.4 mt -76.39 -41.21 48.63 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.285 -0.416 . . . . 73.41 110.914 179.933 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 26' ' ' LEU . . . . . . . . . . . . . 3.8 mt -50.88 -48.63 60.31 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.214 -0.448 . . . . 72.25 110.899 179.915 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 27' ' ' GLU . . . . . . . . . . . . . 37.0 mm-40 -95.1 12.61 28.03 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.22 -0.446 . . . . 75.51 110.912 179.985 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 28' ' ' GLY . . . . . . . . . . . . . . . -59.65 -14.51 29.27 Favored Glycine 0 N--CA 1.451 -0.36 0 C-N-CA 120.734 -0.746 . . . . 71.24 112.525 -179.988 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 29' ' ' GLY . . . . . . . . . . . . . . . 136.48 46.33 0.08 OUTLIER Glycine 0 N--CA 1.451 -0.349 0 C-N-CA 120.803 -0.713 . . . . 44.11 112.515 -179.921 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 30' ' ' GLY . . . . . . . . . . . . . . . -136.51 44.3 1.16 Allowed Glycine 0 N--CA 1.451 -0.346 0 C-N-CA 120.728 -0.749 . . . . 74.31 112.531 -179.936 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 31' ' ' GLY . . . . . . . . . . . . . . . 151.57 63.16 0.01 OUTLIER Glycine 0 N--CA 1.452 -0.283 0 C-N-CA 120.732 -0.746 . . . . 72.45 112.487 -179.895 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 32' ' ' GLY . . . . . . . . . . . . . . . 57.1 -102.5 0.21 Allowed Glycine 0 N--CA 1.452 -0.283 0 C-N-CA 120.695 -0.764 . . . . 74.32 112.513 -179.905 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 33' ' ' GLY . . . . . . . . . . . . . . . 178.69 -128.96 1.32 Allowed Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.791 -0.719 . . . . 50.3 112.475 -179.924 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 34' ' ' GLY . . . . . . . . . . . . . . . 86.61 123.2 1.54 Allowed Glycine 0 N--CA 1.451 -0.346 0 C-N-CA 120.744 -0.741 . . . . 74.12 112.497 -179.866 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 35' ' ' GLY . . . . . . . . . . . . . . . -70.75 -43.1 60.34 Favored Glycine 0 N--CA 1.452 -0.276 0 C-N-CA 120.696 -0.764 . . . . 65.41 112.46 -179.899 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 36' ' ' GLU . . . . . . . . . . . . . 29.7 tt0 -52.25 -34.53 46.54 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.909 0.385 . . . . 64.23 110.904 -179.882 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 37' ' ' LEU . . . . . . . . . . . . . 23.0 tp -61.39 -39.3 90.18 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.109 -0.496 . . . . 75.21 110.925 -179.967 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 38' ' ' MET . . . . . . . . . . . . . 3.6 ttp -72.63 -26.92 61.85 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.182 -0.463 . . . . 75.23 110.832 179.861 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 39' ' ' LYS . . . . . . . . . . . . . 7.2 ttmm -56.17 -27.97 56.37 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.246 -0.433 . . . . 73.51 110.889 179.949 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 40' ' ' LEU . . . . . . . . . . . . . 2.2 mt -59.87 -58.88 6.67 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.275 -0.42 . . . . 72.31 110.915 179.937 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 41' ' ' CYS . . . . . . . . . . . . . 18.5 p -69.38 -23.74 63.78 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.216 -0.447 . . . . 72.03 110.892 179.947 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 42' ' ' GLU . . . . . . . . . . . . . 32.8 tt0 -54.96 -25.35 29.04 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.143 -0.48 . . . . 74.21 110.863 -179.863 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 43' ' ' GLU . . . . . . . . . . . . . 2.8 mm-40 -54.12 -34.78 61.17 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.142 -0.481 . . . . 72.13 110.922 -179.922 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 44' ' ' ALA . . . . . . . . . . . . . . . -51.66 -41.76 61.6 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.176 -0.466 . . . . 74.21 111.068 179.938 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 45' ' ' ALA . . . . . . . . . . . . . . . -75.23 -23.45 57.55 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.173 -0.467 . . . . 74.41 111.082 179.963 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 46' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -78.07 -50.14 12.62 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.316 -0.402 . . . . 75.51 110.847 179.946 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' B' B ' 47' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -55.55 -55.09 35.98 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.203 -0.453 . . . . 62.12 110.859 179.961 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' B' B ' 48' ' ' ALA . . . . . . . . . . . . . . . -51.9 -36.83 50.13 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.322 -0.399 . . . . 71.21 111.085 179.822 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 49' ' ' GLU . . . . . . . . . . . . . 1.4 tt0 -64.0 -45.02 90.84 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.232 -0.44 . . . . 73.41 110.85 -179.893 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 50' ' ' GLU . . . . . . . . . . . . . 6.2 mm-40 -74.13 -27.17 60.73 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.182 -0.463 . . . . 72.24 110.846 -179.934 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 51' ' ' LEU . . . . . . . . . . . . . 12.0 mt -72.68 -52.08 16.74 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.191 -0.459 . . . . 74.4 110.886 -179.936 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 52' ' ' PHE . . . . . . . . . . . . . 71.5 t80 -54.61 -33.7 60.87 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.157 -0.474 . . . . 73.32 110.88 179.959 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 53' ' ' LYS . . . . . . . . . . . . . 1.9 mmmm -52.52 -59.27 4.65 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.15 -0.477 . . . . 72.32 110.859 179.959 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 54' ' ' LEU . . . . . . . . . . . . . 4.5 mm? -75.29 -25.0 57.57 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.288 -0.415 . . . . 73.13 110.902 179.956 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 55' ' ' ALA . . . . . . . . . . . . . . . -53.95 -38.0 64.49 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.218 -0.446 . . . . 74.23 111.158 179.769 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 56' ' ' GLU . . . . . . . . . . . . . 15.9 mt-10 -52.99 -29.51 29.62 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.175 -0.466 . . . . 74.22 110.908 -179.934 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 57' ' ' GLU . . . . . . . . . . . . . 3.1 tm-20 -70.37 -47.7 59.74 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.138 -0.483 . . . . 73.11 110.888 -179.909 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 58' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -77.88 -13.4 59.9 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.163 -0.471 . . . . 74.34 110.912 -179.965 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' B' B ' 59' ' ' LEU . . . . . . . . . . . . . 11.5 mt -95.11 -60.93 1.57 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.152 -0.476 . . . . 74.12 110.942 179.962 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 60' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -119.8 -175.64 3.01 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.155 -0.475 . . . . 75.22 110.889 179.823 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' B' B ' 61' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -109.52 89.66 3.07 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.243 -0.435 . . . . 64.42 110.908 179.869 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' B' B ' 62' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER . . . . . 0 C--N 1.328 -0.327 0 CA-C-N 116.185 -0.461 . . . . 73.31 110.919 179.968 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER . . . . . 0 C--O 1.231 0.106 0 CA-C-O 120.95 0.405 . . . . 73.41 110.863 . . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -127.6 -48.62 1.4 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.188 -0.46 . . . . 74.25 110.921 179.813 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 4.4 mm? -52.27 -67.23 0.27 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.243 -0.435 . . . . 74.22 110.852 179.949 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 8.5 ptp180 -67.33 -36.43 81.43 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.184 -0.462 . . . . 73.13 110.908 -180.0 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 6' ' ' GLU . . . . . 0.707 ' HE2' ' HD2' ' A' ' 10' ' ' LYS . 1.2 tm-20 -54.28 -27.6 36.35 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.178 -0.465 . . . . 74.13 110.859 -179.941 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 2.1 mt-10 -56.49 -55.01 39.13 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.193 -0.458 . . . . 71.3 110.872 -179.942 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -52.96 -28.58 24.36 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.126 -0.488 . . . . 75.22 111.116 179.947 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -73.94 -41.58 61.84 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.219 -0.446 . . . . 65.55 111.175 179.907 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 10' ' ' LYS . . . . . 0.707 ' HD2' ' HE2' ' A' ' 6' ' ' GLU . 0.1 OUTLIER -63.17 -34.18 77.08 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.197 -0.456 . . . . 64.55 110.864 179.982 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 63.4 mt -51.75 -43.97 63.13 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.228 -0.442 . . . . 75.23 110.973 179.884 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 22.9 m-85 -74.16 -24.83 59.45 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.162 -0.472 . . . . 75.24 110.901 179.938 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 13' ' ' GLU . . . . . 0.417 ' HE2' ' NZ ' ' A' ' 10' ' ' LYS . 3.8 tt0 -56.37 -41.04 75.55 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.159 -0.473 . . . . 72.52 110.869 -179.934 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 8.5 mt-10 -65.04 -34.81 79.31 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.175 -0.466 . . . . 72.32 110.837 -179.955 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 15' ' ' TRP . . . . . . . . . . . . . 6.4 t90 -64.24 -46.35 84.18 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.226 -0.443 . . . . 75.55 110.909 -179.94 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 5.8 ptmm? -77.53 -26.97 51.52 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.26 -0.427 . . . . 73.03 110.913 179.885 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -75.05 -59.73 2.61 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.215 -0.448 . . . . 75.52 110.916 179.862 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 95.5 mt -54.85 -29.55 55.45 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.231 -0.44 . . . . 74.11 110.899 179.921 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -66.0 -27.86 68.44 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.148 -0.478 . . . . 75.44 111.117 179.795 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 2.2 mt-10 -73.42 -49.41 27.16 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.167 -0.469 . . . . 74.33 110.915 -179.936 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 1.8 mm-40 -72.74 -51.2 20.14 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.138 -0.483 . . . . 74.43 110.903 -179.956 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -54.09 -30.74 49.57 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.104 -0.498 . . . . 72.33 111.123 179.896 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -71.07 -54.44 11.12 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.219 -0.446 . . . . 62.11 111.021 179.953 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -63.54 -34.17 77.2 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.203 -0.453 . . . . 75.31 110.96 179.986 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 5.8 mt -76.64 -39.22 52.99 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.15 -0.477 . . . . 74.12 110.943 179.882 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 6.5 mt -50.61 -50.68 53.46 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.236 -0.438 . . . . 74.31 110.907 179.875 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 7.0 mm-40 -90.74 12.44 19.15 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.176 -0.466 . . . . 74.21 110.874 -179.991 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . -59.45 -14.52 27.87 Favored Glycine 0 N--CA 1.452 -0.292 0 C-N-CA 120.763 -0.732 . . . . 70.11 112.423 -179.941 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . 135.47 45.49 0.1 OUTLIER Glycine 0 N--CA 1.452 -0.279 0 C-N-CA 120.72 -0.753 . . . . 74.43 112.494 -179.844 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . -95.89 -75.66 1.28 Allowed Glycine 0 N--CA 1.452 -0.266 0 C-N-CA 120.769 -0.729 . . . . 71.52 112.446 -179.879 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . 176.61 126.35 0.96 Allowed Glycine 0 N--CA 1.452 -0.291 0 C-N-CA 120.745 -0.74 . . . . 74.41 112.436 -179.897 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . -168.66 -152.32 7.64 Favored Glycine 0 N--CA 1.452 -0.278 0 C-N-CA 120.69 -0.767 . . . . 44.24 112.475 -179.947 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . 179.67 -40.43 0.08 OUTLIER Glycine 0 N--CA 1.451 -0.331 0 C-N-CA 120.821 -0.704 . . . . 71.34 112.528 -179.872 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . -112.27 152.09 17.9 Favored Glycine 0 N--CA 1.451 -0.335 0 C-N-CA 120.772 -0.727 . . . . 75.4 112.465 -179.922 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . -63.54 -25.74 69.04 Favored Glycine 0 N--CA 1.451 -0.306 0 C-N-CA 120.694 -0.765 . . . . 62.32 112.492 -179.961 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 27.9 tt0 -52.71 -31.97 40.46 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.858 0.361 . . . . 72.44 110.936 -179.906 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 46.7 tp -53.44 -54.78 31.99 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.119 -0.491 . . . . 73.24 110.938 179.961 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 38' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -70.87 -36.34 72.75 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.196 -0.456 . . . . 73.5 110.89 179.835 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 30.9 tttt -54.12 -27.93 36.42 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.23 -0.441 . . . . 75.11 110.867 179.975 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 7.0 mt -69.99 -47.2 63.17 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.272 -0.422 . . . . 71.01 110.895 179.933 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 41' ' ' CYS . . . . . . . . . . . . . 34.9 t -74.86 -29.92 61.17 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.179 -0.464 . . . . 70.21 110.827 179.994 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 16.8 mm-40 -58.03 -25.83 61.65 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.202 -0.454 . . . . 73.35 110.946 -179.955 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 6.1 mm-40 -54.83 -37.37 66.07 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.21 -0.45 . . . . 72.43 110.839 -179.92 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -51.78 -41.88 61.99 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.168 -0.469 . . . . 74.4 111.114 179.952 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -75.16 -22.83 57.83 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.255 -0.429 . . . . 74.12 111.074 179.919 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -74.97 -49.33 20.34 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.219 -0.446 . . . . 73.4 110.834 -179.984 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 9.2 mmpt? -72.99 -49.41 29.21 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.229 -0.442 . . . . 72.41 110.889 179.932 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -51.99 -29.63 21.52 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.238 -0.437 . . . . 72.34 111.11 179.821 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 16.4 tt0 -74.69 -48.1 27.86 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.235 -0.439 . . . . 73.14 110.866 -179.966 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -56.02 -43.91 78.2 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.205 -0.452 . . . . 75.1 110.832 -179.885 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 8.5 mt -73.14 -46.85 48.63 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.144 -0.48 . . . . 75.35 110.892 -179.975 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 52' ' ' PHE . . . . . . . . . . . . . 65.1 t80 -56.5 -24.96 49.75 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.24 -0.437 . . . . 75.11 110.878 179.98 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -68.05 -47.71 67.59 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.148 -0.478 . . . . 74.42 110.889 179.915 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 54' ' ' LEU . . . . . . . . . . . . . 1.1 tp -73.28 -24.09 60.38 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.29 -0.414 . . . . 72.13 110.958 179.919 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -55.93 -24.81 40.07 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.17 -0.468 . . . . 74.14 111.123 179.761 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 9.4 mt-10 -77.53 -26.31 50.93 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.211 -0.45 . . . . 71.01 110.831 -179.942 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 19.7 tp10 -65.43 -49.38 69.41 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.236 -0.438 . . . . 74.41 110.831 -179.918 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -78.62 -15.33 58.65 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.182 -0.463 . . . . 64.31 110.849 -179.876 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 59' ' ' LEU . . . . . . . . . . . . . 22.2 tp -92.6 -76.99 0.45 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.221 -0.445 . . . . 74.3 110.867 -179.922 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -102.49 -175.09 2.72 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.201 -0.454 . . . . 70.5 110.917 179.83 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 24.4 tttt -118.21 90.69 3.39 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.248 -0.433 . . . . 73.31 110.944 179.837 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 2.8 mt . . . . . 0 C--N 1.329 -0.32 0 CA-C-N 116.259 -0.428 . . . . 73.0 110.896 179.967 . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' B' B ' 1' ' ' MET . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 C--O 1.231 0.087 0 CA-C-O 120.815 0.34 . . . . 70.33 110.861 . . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 2' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -155.06 -179.94 8.54 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.242 -0.435 . . . . 73.51 110.956 179.938 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' B' B ' 3' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -127.68 -48.39 1.39 Allowed 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.245 -0.434 . . . . 75.33 110.929 179.872 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' B' B ' 4' ' ' LEU . . . . . . . . . . . . . 4.4 mm? -52.13 -67.38 0.26 Allowed 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.22 -0.446 . . . . 72.44 110.872 179.915 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 5' ' ' ARG . . . . . . . . . . . . . 8.6 ptp180 -67.32 -36.37 81.33 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.205 -0.452 . . . . 73.04 110.867 179.941 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 6' ' ' GLU . . . . . 0.569 ' HE2' ' HD2' ' B' ' 10' ' ' LYS . 1.2 tm-20 -53.97 -28.93 40.57 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.258 -0.428 . . . . 64.55 110.845 -179.899 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' B' B ' 7' ' ' GLU . . . . . . . . . . . . . 2.1 mt-10 -57.33 -56.37 22.71 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.182 -0.463 . . . . 74.45 110.842 -179.913 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 8' ' ' ALA . . . . . . . . . . . . . . . -54.05 -27.14 30.51 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.159 -0.473 . . . . 72.31 111.12 179.914 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 9' ' ' ALA . . . . . . . . . . . . . . . -73.55 -41.38 63.04 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.23 -0.441 . . . . 41.43 111.102 179.96 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 10' ' ' LYS . . . . . 0.569 ' HD2' ' HE2' ' B' ' 6' ' ' GLU . 0.1 OUTLIER -62.48 -33.53 75.04 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.228 -0.442 . . . . 74.42 110.879 179.985 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' B' B ' 11' ' ' LEU . . . . . . . . . . . . . 62.1 mt -51.89 -43.54 63.36 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.215 -0.448 . . . . 73.21 110.859 179.971 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 12' ' ' PHE . . . . . . . . . . . . . 24.7 m-85 -74.12 -26.76 60.52 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.252 -0.431 . . . . 74.53 110.855 179.951 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 13' ' ' GLU . . . . . . . . . . . . . 3.7 tt0 -62.96 -45.06 94.25 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.177 -0.465 . . . . 73.41 110.888 -179.905 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 14' ' ' GLU . . . . . . . . . . . . . 8.4 mt-10 -74.4 -32.5 62.71 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.117 -0.492 . . . . 62.32 110.912 -179.937 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 15' ' ' TRP . . . . . . . . . . . . . 0.6 OUTLIER -60.83 -44.63 96.67 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.162 -0.472 . . . . 75.13 110.893 -179.961 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' B' B ' 16' ' ' LYS . . . . . . . . . . . . . 5.7 ptmm? -77.08 -24.64 51.85 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.227 -0.442 . . . . 75.32 110.892 179.929 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 17' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -74.81 -51.44 14.03 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.196 -0.456 . . . . 75.43 110.931 179.854 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' B' B ' 18' ' ' LEU . . . . . . . . . . . . . 97.5 mt -54.96 -28.45 51.48 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.254 -0.43 . . . . 74.35 110.843 179.917 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 19' ' ' ALA . . . . . . . . . . . . . . . -64.2 -25.54 68.12 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.244 -0.435 . . . . 65.43 111.09 179.85 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 20' ' ' GLU . . . . . . . . . . . . . 2.1 mt-10 -73.13 -49.37 28.67 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.203 -0.453 . . . . 61.51 110.835 -179.89 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 21' ' ' GLU . . . . . . . . . . . . . 1.8 mm-40 -72.16 -51.2 22.39 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.167 -0.469 . . . . 64.4 110.889 -179.907 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 22' ' ' ALA . . . . . . . . . . . . . . . -54.44 -30.75 53.69 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.115 -0.493 . . . . 73.24 111.155 179.923 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 23' ' ' ALA . . . . . . . . . . . . . . . -71.16 -54.34 11.37 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.168 -0.469 . . . . 75.15 111.085 179.972 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 24' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -63.42 -34.24 77.31 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.222 -0.445 . . . . 73.14 110.974 179.902 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' B' B ' 25' ' ' LEU . . . . . . . . . . . . . 6.0 mt -76.68 -39.33 52.48 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.174 -0.466 . . . . 63.42 110.907 179.915 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 26' ' ' LEU . . . . . . . . . . . . . 6.5 mt -50.69 -50.17 55.58 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.14 -0.482 . . . . 75.22 110.974 179.917 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 27' ' ' GLU . . . . . 0.636 ' HE2' HD23 ' B' ' 37' ' ' LEU . 7.1 mm-40 -90.8 12.39 19.44 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.221 -0.445 . . . . 74.11 110.891 179.869 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' B' B ' 28' ' ' GLY . . . . . . . . . . . . . . . -59.25 -14.6 26.81 Favored Glycine 0 N--CA 1.451 -0.356 0 C-N-CA 120.76 -0.734 . . . . 71.23 112.528 179.945 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 29' ' ' GLY . . . . . . . . . . . . . . . 136.46 45.25 0.09 OUTLIER Glycine 0 N--CA 1.452 -0.291 0 C-N-CA 120.719 -0.753 . . . . 73.32 112.476 -179.931 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 30' ' ' GLY . . . . . . . . . . . . . . . -96.03 -73.15 1.16 Allowed Glycine 0 N--CA 1.451 -0.335 0 C-N-CA 120.764 -0.731 . . . . 72.23 112.503 -179.93 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 31' ' ' GLY . . . . . . . . . . . . . . . 178.45 124.75 0.88 Allowed Glycine 0 N--CA 1.45 -0.372 0 C-N-CA 120.751 -0.738 . . . . 75.22 112.495 -179.945 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 32' ' ' GLY . . . . . . . . . . . . . . . -169.74 -150.68 6.95 Favored Glycine 0 N--CA 1.451 -0.335 0 C-N-CA 120.741 -0.743 . . . . 72.14 112.494 -179.919 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 33' ' ' GLY . . . . . . . . . . . . . . . -179.23 -40.19 0.07 OUTLIER Glycine 0 N--CA 1.451 -0.355 0 C-N-CA 120.784 -0.722 . . . . 73.4 112.465 -179.865 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 34' ' ' GLY . . . . . . . . . . . . . . . -112.64 152.13 17.98 Favored Glycine 0 N--CA 1.45 -0.383 0 C-N-CA 120.728 -0.749 . . . . 75.32 112.528 -179.893 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 35' ' ' GLY . . . . . . . . . . . . . . . -63.25 -25.57 68.48 Favored Glycine 0 N--CA 1.451 -0.332 0 C-N-CA 120.714 -0.755 . . . . 65.45 112.538 -179.95 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 36' ' ' GLU . . . . . . . . . . . . . 27.7 tt0 -52.59 -30.45 31.16 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.879 0.371 . . . . 74.2 110.907 -179.917 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 37' ' ' LEU . . . . . 0.636 HD23 ' HE2' ' B' ' 27' ' ' GLU . 49.0 tp -51.94 -54.99 23.07 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.103 -0.499 . . . . 73.33 110.92 -179.973 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' B' B ' 38' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -71.12 -39.14 72.22 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.195 -0.457 . . . . 61.55 110.82 179.865 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' B' B ' 39' ' ' LYS . . . . . . . . . . . . . 31.1 tttt -56.32 -28.11 57.81 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.248 -0.433 . . . . 75.41 110.881 -179.984 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 40' ' ' LEU . . . . . . . . . . . . . 6.9 mt -70.98 -46.11 62.88 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.207 -0.451 . . . . 73.31 110.93 179.963 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 41' ' ' CYS . . . . . . . . . . . . . 29.2 t -74.58 -27.43 60.48 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.178 -0.464 . . . . 53.43 110.894 179.937 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 42' ' ' GLU . . . . . . . . . . . . . 16.7 mm-40 -54.28 -25.76 25.39 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.212 -0.449 . . . . 62.12 110.896 -179.875 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 43' ' ' GLU . . . . . . . . . . . . . 6.2 mm-40 -55.47 -33.62 63.81 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.167 -0.47 . . . . 72.51 110.897 -179.981 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 44' ' ' ALA . . . . . . . . . . . . . . . -51.2 -43.49 61.37 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.101 -0.5 . . . . 63.5 111.118 179.966 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 45' ' ' ALA . . . . . . . . . . . . . . . -75.33 -22.74 57.39 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.16 -0.473 . . . . 62.45 111.099 179.921 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 46' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -77.43 -50.34 12.9 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.236 -0.438 . . . . 73.3 110.978 179.882 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' B' B ' 47' ' ' LYS . . . . . . . . . . . . . 9.2 mmpt? -70.6 -54.05 13.53 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.207 -0.452 . . . . 71.24 110.913 179.823 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 48' ' ' ALA . . . . . . . . . . . . . . . -52.05 -29.55 21.73 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.222 -0.445 . . . . 75.32 111.096 179.849 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 49' ' ' GLU . . . . . . . . . . . . . 16.4 tt0 -77.08 -48.17 18.54 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.215 -0.448 . . . . 65.53 110.849 -179.932 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 50' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -53.96 -39.62 66.12 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.135 -0.484 . . . . 71.13 110.926 -179.921 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' B' B ' 51' ' ' LEU . . . . . . . . . . . . . 8.3 mt -72.27 -42.84 65.11 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.135 -0.484 . . . . 63.43 110.928 -179.993 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 52' ' ' PHE . . . . . . . . . . . . . 65.8 t80 -56.08 -25.24 44.57 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.214 -0.448 . . . . 73.54 110.932 179.886 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 53' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -67.9 -47.95 67.38 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.085 -0.507 . . . . 74.21 110.846 -179.995 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' B' B ' 54' ' ' LEU . . . . . . . . . . . . . 1.1 tp -72.63 -24.05 61.01 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.2 -0.455 . . . . 71.23 110.912 179.919 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 55' ' ' ALA . . . . . . . . . . . . . . . -55.99 -24.8 41.03 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.232 -0.44 . . . . 73.41 111.175 179.765 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 56' ' ' GLU . . . . . . . . . . . . . 9.6 mt-10 -77.57 -26.07 50.55 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.176 -0.466 . . . . 74.02 110.924 -179.956 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 57' ' ' GLU . . . . . . . . . . . . . 19.7 tp10 -65.35 -49.27 70.0 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.172 -0.467 . . . . 65.15 110.884 -179.951 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 58' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -78.72 -15.61 58.24 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.202 -0.453 . . . . 74.22 110.84 -179.919 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' B' B ' 59' ' ' LEU . . . . . . . . . . . . . 22.7 tp -92.06 -77.05 0.44 Allowed 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.187 -0.46 . . . . 64.43 110.937 179.986 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 60' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -102.42 -175.2 2.76 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.234 -0.439 . . . . 75.43 110.899 179.821 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' B' B ' 61' ' ' LYS . . . . . . . . . . . . . 24.4 tttt -118.43 90.65 3.38 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.242 -0.436 . . . . 64.34 110.906 179.887 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 62' ' ' LEU . . . . . . . . . . . . . 2.8 mt . . . . . 0 C--N 1.328 -0.345 0 CA-C-N 116.24 -0.436 . . . . 62.32 110.946 179.934 . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.231 0.116 0 CA-C-O 120.823 0.344 . . . . 74.4 110.889 . . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 11.5 tttt -139.19 -74.13 0.38 Allowed 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.236 -0.438 . . . . 72.53 110.873 179.837 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 2.1 pt? -125.36 -1.56 7.55 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.243 -0.435 . . . . 73.33 110.864 -179.997 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 16.5 mmt180 -64.9 -29.36 70.31 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.216 -0.447 . . . . 73.21 110.845 179.981 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 1.8 mt-10 -57.27 -28.13 62.71 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.171 -0.468 . . . . 73.12 110.883 -179.932 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 3.4 mm-40 -54.76 -35.51 63.84 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.22 -0.445 . . . . 63.22 110.943 -179.98 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -72.0 -27.0 62.45 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.11 -0.495 . . . . 74.21 111.07 179.972 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -60.67 -40.35 91.78 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.203 -0.453 . . . . 75.22 111.096 179.947 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 11.9 mtmt -58.56 -30.49 67.18 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.175 -0.466 . . . . 62.51 110.894 179.975 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 61.3 mt -51.92 -44.59 63.92 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.227 -0.442 . . . . 74.31 110.878 179.939 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 24.3 m-85 -73.94 -25.86 60.19 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.172 -0.467 . . . . 72.31 110.916 179.978 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 1.2 tt0 -58.44 -38.49 77.59 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.145 -0.48 . . . . 75.15 110.933 -179.969 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 22.7 mt-10 -74.0 -35.12 64.4 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.136 -0.483 . . . . 64.44 110.897 -179.935 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 15' ' ' TRP . . . . . . . . . . . . . 14.3 m0 -54.98 -53.16 59.22 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.15 -0.477 . . . . 74.44 110.87 -179.929 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -70.94 -26.03 63.01 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.201 -0.454 . . . . 71.44 110.896 -179.985 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -69.08 -60.02 2.64 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.194 -0.457 . . . . 74.54 110.939 179.844 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 2.5 mt -56.53 -25.19 51.1 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.289 -0.414 . . . . 72.52 110.895 179.857 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -73.34 -29.53 62.73 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.249 -0.432 . . . . 75.14 111.079 179.838 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 21.1 tt0 -73.14 -49.95 25.42 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.248 -0.433 . . . . 71.51 110.89 -179.862 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 9.6 pt-20 -56.79 -46.42 81.57 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.073 -0.512 . . . . 63.14 110.915 -179.958 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -64.2 -32.95 74.72 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.121 -0.49 . . . . 73.13 111.12 179.928 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -70.95 -49.71 42.59 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.16 -0.473 . . . . 74.04 111.124 179.938 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -64.45 -36.66 84.9 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.244 -0.435 . . . . 71.51 110.839 179.936 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 11.2 mt -76.65 -38.75 54.04 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.307 -0.406 . . . . 74.22 110.934 179.942 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 6.2 mt -50.22 -46.31 54.55 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.212 -0.449 . . . . 73.32 110.957 179.828 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 37.1 mt-10 -89.4 -11.6 42.72 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.161 -0.472 . . . . 73.25 110.93 179.913 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . 67.32 29.86 74.73 Favored Glycine 0 N--CA 1.452 -0.276 0 C-N-CA 120.706 -0.759 . . . . 72.12 112.495 -179.98 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . 85.85 19.96 56.77 Favored Glycine 0 N--CA 1.452 -0.29 0 C-N-CA 120.685 -0.769 . . . . 72.23 112.507 -179.885 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . 134.39 112.71 1.3 Allowed Glycine 0 N--CA 1.452 -0.285 0 C-N-CA 120.737 -0.744 . . . . 53.31 112.466 -179.872 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . 143.12 -157.12 26.79 Favored Glycine 0 N--CA 1.45 -0.386 0 C-N-CA 120.76 -0.733 . . . . 72.04 112.522 -179.934 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . 91.48 166.21 40.08 Favored Glycine 0 N--CA 1.452 -0.286 0 C-N-CA 120.766 -0.731 . . . . 65.53 112.44 -179.902 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -76.16 80.45 1.11 Allowed Glycine 0 N--CA 1.451 -0.35 0 C-N-CA 120.696 -0.764 . . . . 34.12 112.492 -179.91 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 74.7 173.12 30.39 Favored Glycine 0 N--CA 1.452 -0.235 0 C-N-CA 120.676 -0.773 . . . . 73.3 112.422 -179.943 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . -100.56 -22.53 11.21 Favored Glycine 0 N--CA 1.451 -0.326 0 C-N-CA 120.77 -0.728 . . . . 73.12 112.489 -179.932 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 2.9 tt0 -61.38 -41.88 97.81 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.907 0.384 . . . . 71.23 110.865 -179.905 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 52.6 tp -58.41 -48.95 78.99 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.087 -0.506 . . . . 74.31 110.896 -179.936 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 38' ' ' MET . . . . . . . . . . . . . 1.3 ttp -72.12 -28.19 63.11 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.168 -0.469 . . . . 74.23 110.891 179.859 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -54.89 -28.16 48.36 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.236 -0.438 . . . . 74.54 110.933 179.934 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 16.9 mt -72.07 -33.45 67.93 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.217 -0.447 . . . . 73.44 110.876 179.958 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 41' ' ' CYS . . . . . . . . . . . . . 33.4 m -72.0 -39.27 69.35 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 116.187 -0.46 . . . . 74.23 110.848 179.942 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 2.7 tt0 -61.33 -26.52 67.86 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.231 -0.441 . . . . 63.34 110.897 -179.854 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 3.6 mm-40 -55.44 -26.31 41.32 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.125 -0.489 . . . . 73.41 110.886 -179.998 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -52.5 -43.68 65.21 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.188 -0.46 . . . . 64.32 111.139 179.966 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -75.07 -25.13 58.37 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.225 -0.443 . . . . 74.12 111.064 179.939 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -67.86 -46.06 72.81 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.202 -0.453 . . . . 62.53 110.935 179.967 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -55.49 -54.33 45.28 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.222 -0.445 . . . . 64.22 110.901 179.832 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -61.11 -31.45 71.15 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.213 -0.449 . . . . 75.53 111.132 179.808 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 9.6 mt-10 -74.09 -30.19 62.22 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.223 -0.444 . . . . 72.31 110.877 -179.946 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 18.1 tt0 -71.38 -50.8 28.51 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.1 -0.5 . . . . 62.05 110.914 -179.867 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 2.5 pp -69.64 -29.36 66.82 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.108 -0.496 . . . . 74.45 110.893 -179.986 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 52' ' ' PHE . . . . . . . . . . . . . 83.8 t80 -56.39 -26.56 53.49 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.15 -0.477 . . . . 75.41 110.922 179.922 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -57.41 -57.58 12.03 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.175 -0.466 . . . . 74.33 110.916 179.948 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 54' ' ' LEU . . . . . . . . . . . . . 9.5 mt -73.9 -43.8 57.28 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.212 -0.449 . . . . 74.42 110.924 179.9 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -57.56 -27.21 62.46 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.183 -0.462 . . . . 74.41 111.079 179.863 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 1.8 tt0 -62.69 -32.55 73.65 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.21 -0.45 . . . . 75.43 110.902 -179.917 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 30.4 tt0 -59.0 -54.23 49.5 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.162 -0.472 . . . . 54.15 110.834 -179.913 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -77.62 -29.03 51.62 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.154 -0.475 . . . . 73.33 110.85 -179.905 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 59' ' ' LEU . . . . . . . . . . . . . 19.7 mt -67.11 -59.73 3.21 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.298 -0.41 . . . . 75.44 110.87 -179.943 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -122.95 -89.24 0.6 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.239 -0.437 . . . . 75.02 110.848 179.874 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 174.24 34.59 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.238 -0.437 . . . . 75.35 110.862 179.842 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 C--N 1.328 -0.347 0 CA-C-N 116.192 -0.458 . . . . 71.1 110.938 179.91 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 1' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.231 0.117 0 CA-C-O 120.777 0.322 . . . . 73.34 110.896 . . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 2' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -86.4 164.32 17.1 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.227 -0.442 . . . . 74.04 110.973 179.902 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' B' B ' 3' ' ' LYS . . . . . . . . . . . . . 11.5 tttt -139.12 -74.21 0.38 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.258 -0.428 . . . . 74.1 110.901 179.896 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 4' ' ' LEU . . . . . . . . . . . . . 2.1 pt? -125.32 -1.61 7.58 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.155 -0.475 . . . . 75.41 110.894 179.933 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 5' ' ' ARG . . . . . . . . . . . . . 16.5 mmt180 -64.9 -29.37 70.31 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.213 -0.449 . . . . 75.23 110.87 179.995 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 6' ' ' GLU . . . . . . . . . . . . . 1.8 mt-10 -57.37 -28.23 63.0 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.206 -0.452 . . . . 74.45 110.875 -179.919 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 7' ' ' GLU . . . . . . . . . . . . . 3.4 mm-40 -54.77 -35.49 63.85 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.112 -0.494 . . . . 73.01 110.925 -179.933 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 8' ' ' ALA . . . . . . . . . . . . . . . -72.1 -27.08 62.41 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.121 -0.49 . . . . 65.35 111.079 179.929 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 9' ' ' ALA . . . . . . . . . . . . . . . -60.67 -40.31 91.6 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.251 -0.431 . . . . 74.3 111.125 179.924 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 10' ' ' LYS . . . . . . . . . . . . . 11.9 mtmt -58.54 -30.5 67.16 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.276 -0.42 . . . . 75.2 110.91 179.925 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 11' ' ' LEU . . . . . . . . . . . . . 60.9 mt -52.03 -44.49 64.21 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.246 -0.434 . . . . 70.12 110.889 179.982 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 12' ' ' PHE . . . . . . . . . . . . . 24.3 m-85 -73.96 -25.9 60.19 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.187 -0.461 . . . . 72.01 110.889 179.927 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 13' ' ' GLU . . . . . . . . . . . . . 1.3 tt0 -58.59 -38.33 77.7 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.111 -0.495 . . . . 74.53 110.798 -179.845 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 14' ' ' GLU . . . . . . . . . . . . . 22.8 mt-10 -74.11 -34.89 64.09 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.209 -0.45 . . . . 74.53 110.875 -179.9 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 15' ' ' TRP . . . . . . . . . . . . . 14.1 m0 -55.05 -53.12 59.86 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 116.126 -0.488 . . . . 75.05 110.95 -179.935 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 16' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -70.96 -26.14 63.04 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.201 -0.454 . . . . 73.23 110.882 179.888 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' B' B ' 17' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -68.99 -59.99 2.67 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.233 -0.44 . . . . 73.21 110.948 179.854 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' B' B ' 18' ' ' LEU . . . . . . . . . . . . . 2.5 mt -56.75 -25.13 54.21 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.145 -0.479 . . . . 71.21 110.889 179.905 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 19' ' ' ALA . . . . . . . . . . . . . . . -73.37 -29.6 62.74 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.217 -0.447 . . . . 73.32 111.073 179.79 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 20' ' ' GLU . . . . . . . . . . . . . 21.1 tt0 -73.07 -49.9 25.94 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.206 -0.452 . . . . 75.31 110.965 -179.87 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 21' ' ' GLU . . . . . . . . . . . . . 9.7 pt-20 -56.82 -46.5 81.62 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.127 -0.488 . . . . 75.02 110.897 179.989 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 22' ' ' ALA . . . . . . . . . . . . . . . -64.13 -32.97 74.74 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.16 -0.473 . . . . 74.21 111.137 179.918 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 23' ' ' ALA . . . . . . . . . . . . . . . -70.86 -49.77 42.47 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.193 -0.458 . . . . 70.31 111.096 179.94 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 24' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -64.49 -36.62 84.79 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.195 -0.457 . . . . 73.43 110.897 179.987 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' B' B ' 25' ' ' LEU . . . . . . . . . . . . . 11.2 mt -76.66 -38.75 54.01 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.179 -0.464 . . . . 70.3 110.871 179.947 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 26' ' ' LEU . . . . . . . . . . . . . 6.1 mt -50.38 -46.18 55.87 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.25 -0.432 . . . . 72.2 110.954 179.94 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 27' ' ' GLU . . . . . . . . . . . . . 37.3 mt-10 -89.39 -11.7 42.46 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 116.204 -0.453 . . . . 75.24 110.885 179.882 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 28' ' ' GLY . . . . . . . . . . . . . . . 67.31 29.93 74.83 Favored Glycine 0 N--CA 1.452 -0.268 0 C-N-CA 120.764 -0.731 . . . . 74.42 112.507 -179.924 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 29' ' ' GLY . . . . . . . . . . . . . . . 85.78 20.07 56.69 Favored Glycine 0 N--CA 1.451 -0.339 0 C-N-CA 120.749 -0.738 . . . . 41.32 112.541 -179.93 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 30' ' ' GLY . . . . . . . . . . . . . . . 134.37 112.64 1.29 Allowed Glycine 0 N--CA 1.45 -0.374 0 C-N-CA 120.779 -0.724 . . . . 73.41 112.461 -179.903 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 31' ' ' GLY . . . . . . . . . . . . . . . 143.22 -157.05 26.8 Favored Glycine 0 N--CA 1.451 -0.348 0 C-N-CA 120.679 -0.772 . . . . 73.23 112.427 -179.976 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 32' ' ' GLY . . . . . . . . . . . . . . . 91.39 166.18 40.17 Favored Glycine 0 N--CA 1.452 -0.271 0 C-N-CA 120.71 -0.757 . . . . 63.12 112.466 -179.924 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 33' ' ' GLY . . . . . . . . . . . . . . . -76.14 80.57 1.1 Allowed Glycine 0 N--CA 1.452 -0.295 0 C-N-CA 120.697 -0.763 . . . . 63.03 112.447 -179.87 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 34' ' ' GLY . . . . . . . . . . . . . . . 74.59 173.14 30.02 Favored Glycine 0 N--CA 1.45 -0.376 0 C-N-CA 120.755 -0.736 . . . . 60.11 112.444 -179.988 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 35' ' ' GLY . . . . . . . . . . . . . . . -100.58 -22.54 11.16 Favored Glycine 0 N--CA 1.452 -0.245 0 C-N-CA 120.719 -0.753 . . . . 54.44 112.462 -179.88 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 36' ' ' GLU . . . . . . . . . . . . . 2.9 tt0 -61.44 -41.73 97.65 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.85 0.357 . . . . 74.34 110.966 -179.941 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 37' ' ' LEU . . . . . . . . . . . . . 52.5 tp -58.41 -48.88 79.23 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.145 -0.48 . . . . 74.34 110.957 179.943 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 38' ' ' MET . . . . . . . . . . . . . 1.3 ttp -72.18 -28.2 63.06 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.108 -0.496 . . . . 73.53 110.912 179.854 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 39' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -54.96 -28.22 49.73 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.238 -0.437 . . . . 74.4 110.915 179.937 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' B' B ' 40' ' ' LEU . . . . . . . . . . . . . 16.9 mt -72.01 -33.45 68.07 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.243 -0.435 . . . . 73.22 110.942 179.874 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 41' ' ' CYS . . . . . . . . . . . . . 33.4 m -71.87 -39.35 69.71 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.181 -0.463 . . . . 64.05 110.883 179.902 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 42' ' ' GLU . . . . . . . . . . . . . 2.7 tt0 -61.27 -26.55 67.84 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.214 -0.448 . . . . 74.4 110.87 -179.84 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 43' ' ' GLU . . . . . . . . . . . . . 3.6 mm-40 -55.51 -26.21 41.59 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.232 -0.44 . . . . 74.5 110.901 -179.974 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 44' ' ' ALA . . . . . . . . . . . . . . . -52.53 -43.75 65.34 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.173 -0.467 . . . . 72.11 111.053 179.969 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 45' ' ' ALA . . . . . . . . . . . . . . . -75.0 -25.12 58.59 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.206 -0.452 . . . . 72.44 111.02 179.988 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 46' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -68.03 -46.14 72.02 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.237 -0.438 . . . . 73.15 110.899 -179.931 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' B' B ' 47' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -55.59 -54.22 46.76 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.152 -0.476 . . . . 75.51 110.907 179.899 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' B' B ' 48' ' ' ALA . . . . . . . . . . . . . . . -61.07 -31.6 71.26 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.21 -0.45 . . . . 74.43 111.133 179.763 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 49' ' ' GLU . . . . . . . . . . . . . 9.7 mt-10 -74.06 -30.17 62.26 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.189 -0.459 . . . . 73.11 110.89 -179.923 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 50' ' ' GLU . . . . . . . . . . . . . 18.0 tt0 -71.33 -50.87 28.04 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.147 -0.478 . . . . 74.14 110.859 -179.929 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 51' ' ' LEU . . . . . . . . . . . . . 2.5 pp -69.7 -29.32 66.7 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.197 -0.456 . . . . 74.32 110.887 -179.901 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 52' ' ' PHE . . . . . . . . . . . . . 83.8 t80 -56.47 -26.59 54.52 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.227 -0.442 . . . . 74.21 110.844 179.947 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 53' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -57.37 -57.65 11.71 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.106 -0.497 . . . . 74.31 110.9 179.961 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' B' B ' 54' ' ' LEU . . . . . . . . . . . . . 9.5 mt -73.71 -43.91 57.92 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.202 -0.454 . . . . 75.55 110.928 179.884 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 55' ' ' ALA . . . . . . . . . . . . . . . -57.51 -27.3 62.43 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.205 -0.452 . . . . 73.12 111.116 179.831 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 56' ' ' GLU . . . . . . . . . . . . . 1.7 tt0 -62.59 -32.67 73.7 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.2 -0.454 . . . . 75.15 110.916 -179.967 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 57' ' ' GLU . . . . . . . . . . . . . 30.3 tt0 -58.97 -54.13 50.55 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.086 -0.506 . . . . 72.22 110.957 -179.941 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 58' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -77.68 -28.99 51.26 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.105 -0.498 . . . . 73.34 110.842 -179.918 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' B' B ' 59' ' ' LEU . . . . . . . . . . . . . 19.7 mt -67.19 -59.74 3.19 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.174 -0.466 . . . . 65.54 110.892 -179.885 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 60' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -122.91 -89.21 0.6 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.146 -0.479 . . . . 72.35 110.869 179.818 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' B' B ' 61' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 174.23 34.46 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.209 -0.45 . . . . 73.2 110.874 179.875 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' B' B ' 62' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 C--N 1.328 -0.347 0 CA-C-N 116.232 -0.44 . . . . 72.54 110.908 179.894 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 C--O 1.231 0.08 0 CA-C-O 120.884 0.373 . . . . 72.5 110.889 . . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 12.3 mttt -150.5 25.14 0.78 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.185 -0.461 . . . . 75.33 110.907 179.864 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -146.26 -66.52 0.29 Allowed 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.172 -0.467 . . . . 75.24 110.911 179.936 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 15.9 mtt180 -71.96 -35.7 69.62 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.168 -0.469 . . . . 74.14 110.893 179.953 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -53.91 -26.62 26.1 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.2 -0.455 . . . . 73.1 110.865 -179.907 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 1.4 mm-40 -53.48 -38.0 63.24 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.176 -0.465 . . . . 75.25 110.794 -179.93 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -65.61 -26.79 67.99 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.209 -0.45 . . . . 74.21 111.209 179.869 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -63.07 -43.95 97.16 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.153 -0.476 . . . . 74.12 111.105 179.887 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 9.2 mtpt -66.03 -32.82 74.51 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.244 -0.435 . . . . 75.23 110.947 179.961 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 61.7 mt -52.17 -45.12 64.97 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.202 -0.454 . . . . 64.24 110.869 179.908 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 23.4 m-85 -72.93 -23.81 60.73 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.203 -0.453 . . . . 73.43 110.88 179.953 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -57.95 -33.97 69.41 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.151 -0.477 . . . . 52.43 110.889 -179.946 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 7.0 mt-10 -75.22 -35.14 61.49 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.187 -0.461 . . . . 72.24 110.873 -179.908 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 15' ' ' TRP . . . . . . . . . . . . . 28.7 m0 -53.97 -52.73 59.75 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.188 -0.46 . . . . 71.35 110.896 -179.935 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 6.6 tttt -67.87 -24.7 65.27 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.259 -0.428 . . . . 74.44 110.95 179.872 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -72.77 -52.52 14.71 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.204 -0.453 . . . . 75.43 110.888 179.829 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 2.0 mt -55.73 -25.01 38.32 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.275 -0.421 . . . . 74.55 111.004 179.87 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -73.15 -28.83 62.46 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.123 -0.49 . . . . 70.1 111.115 179.772 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 1.9 mm-40 -73.03 -49.47 28.57 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.209 -0.451 . . . . 75.15 110.878 -179.884 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 6.7 pt-20 -58.44 -36.51 73.76 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.103 -0.499 . . . . 71.53 110.874 -179.909 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -75.46 -33.1 60.82 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.111 -0.495 . . . . 74.24 111.07 179.949 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -70.73 -51.99 23.75 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.262 -0.426 . . . . 73.45 111.088 179.904 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -61.08 -37.44 82.7 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.241 -0.436 . . . . 74.24 110.904 -179.99 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 14.5 mt -76.82 -38.5 53.73 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 116.252 -0.431 . . . . 74.3 110.886 179.885 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 5.2 mt -50.09 -43.4 51.5 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.183 -0.462 . . . . 75.31 110.924 179.896 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 2.2 mt-10 -93.19 -12.17 30.95 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.171 -0.468 . . . . 74.03 110.893 179.937 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . 60.92 17.51 51.29 Favored Glycine 0 N--CA 1.452 -0.296 0 C-N-CA 120.708 -0.758 . . . . 71.04 112.472 179.987 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . 87.93 20.6 49.59 Favored Glycine 0 N--CA 1.45 -0.379 0 C-N-CA 120.778 -0.725 . . . . 62.33 112.508 -179.938 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . 139.1 80.45 0.07 OUTLIER Glycine 0 N--CA 1.451 -0.331 0 C-N-CA 120.679 -0.772 . . . . 72.13 112.47 -179.894 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . -159.96 156.79 28.03 Favored Glycine 0 N--CA 1.452 -0.291 0 C-N-CA 120.74 -0.743 . . . . 74.12 112.408 -179.902 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . 57.34 -118.37 12.3 Favored Glycine 0 C--N 1.331 0.264 0 C-N-CA 120.72 -0.752 . . . . 75.12 112.494 -179.92 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -158.41 -81.55 0.04 OUTLIER Glycine 0 N--CA 1.451 -0.306 0 C-N-CA 120.678 -0.772 . . . . 61.44 112.431 -179.899 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 121.67 -93.21 0.51 Allowed Glycine 0 N--CA 1.451 -0.316 0 C-N-CA 120.761 -0.733 . . . . 71.5 112.463 -179.916 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 54.99 -104.71 0.29 Allowed Glycine 0 N--CA 1.452 -0.275 0 C-N-CA 120.729 -0.748 . . . . 43.2 112.504 -179.899 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 67.5 tt0 -76.38 -26.19 55.35 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.869 0.366 . . . . 73.13 110.88 -179.872 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 18.0 tp -57.59 -58.03 10.11 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.165 -0.47 . . . . 75.01 110.92 179.982 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 38' ' ' MET . . . . . . . . . . . . . 35.1 ttm -63.72 -33.55 75.91 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.163 -0.472 . . . . 73.33 110.902 179.841 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 2.1 tttp -53.85 -35.06 61.08 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.204 -0.453 . . . . 75.1 110.873 179.943 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 61.7 mt -74.09 -36.21 64.26 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.179 -0.464 . . . . 73.34 110.908 179.922 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 41' ' ' CYS . . . . . . . . . . . . . 22.2 m -75.18 -28.25 59.97 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.204 -0.453 . . . . 74.52 110.912 179.923 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 2.6 mt-10 -61.61 -26.88 68.26 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.222 -0.445 . . . . 73.03 110.883 -179.893 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 3.0 mm-40 -55.66 -36.86 67.54 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.16 -0.473 . . . . 74.43 110.923 -179.936 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -51.87 -41.84 62.2 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.117 -0.492 . . . . 71.24 111.047 179.896 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -75.18 -22.76 57.82 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.241 -0.436 . . . . 74.42 111.092 179.984 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -74.3 -48.84 25.82 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.26 -0.427 . . . . 62.02 110.851 -179.993 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 1.3 mptp? -61.61 -53.7 52.82 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.201 -0.454 . . . . 74.44 110.897 179.87 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -57.89 -35.58 71.2 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.28 -0.418 . . . . 64.4 111.089 179.845 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 2.6 tm-20 -71.5 -41.63 69.03 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.191 -0.459 . . . . 74.31 110.852 -179.902 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 34.8 tt0 -71.34 -27.65 63.52 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.229 -0.441 . . . . 72.43 110.856 -179.927 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 9.9 mt -72.95 -48.79 33.77 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.177 -0.465 . . . . 73.02 110.926 -179.982 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 52' ' ' PHE . . . . . . . . . . . . . 46.5 t80 -62.31 -23.89 67.0 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.265 -0.425 . . . . 74.55 110.878 179.974 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -72.83 -58.71 3.14 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.143 -0.48 . . . . 75.21 110.926 179.881 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 54' ' ' LEU . . . . . . . . . . . . . 19.3 tp -67.47 -38.15 83.98 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.212 -0.449 . . . . 75.11 110.947 179.936 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -67.32 -33.84 76.1 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.171 -0.468 . . . . 55.23 111.124 179.799 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 33.5 tt0 -52.75 -29.12 25.4 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.245 -0.434 . . . . 72.31 110.927 -179.953 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 10.9 tt0 -61.94 -52.93 62.07 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.116 -0.493 . . . . 65.22 110.924 -179.979 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -77.78 -28.89 50.63 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.146 -0.479 . . . . 74.45 110.81 -179.895 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 59' ' ' LEU . . . . . . . . . . . . . 1.9 mp -70.64 -62.1 1.52 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.246 -0.434 . . . . 74.55 110.91 -179.901 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -122.77 -74.92 0.6 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.15 -0.477 . . . . 62.34 110.896 179.82 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -179.28 122.89 0.08 Allowed 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.194 -0.457 . . . . 75.52 110.964 179.878 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER . . . . . 0 C--N 1.328 -0.347 0 CA-C-N 116.264 -0.426 . . . . 72.11 110.934 179.941 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 1' ' ' MET . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 C--O 1.231 0.114 0 CA-C-O 120.815 0.34 . . . . 64.41 110.862 . . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 2' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -96.86 -169.97 1.97 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.169 -0.469 . . . . 73.32 110.934 179.898 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' B' B ' 3' ' ' LYS . . . . . . . . . . . . . 12.2 mttt -150.92 24.66 0.75 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.262 -0.426 . . . . 75.14 110.853 179.893 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 4' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -146.2 -66.34 0.29 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.245 -0.434 . . . . 63.14 110.927 179.858 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' B' B ' 5' ' ' ARG . . . . . . . . . . . . . 16.4 mtt180 -72.01 -40.68 68.33 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.185 -0.461 . . . . 74.45 110.895 179.908 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 6' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -54.48 -26.79 33.42 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.193 -0.458 . . . . 72.34 110.911 -179.969 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' B' B ' 7' ' ' GLU . . . . . . . . . . . . . 1.4 mm-40 -53.27 -39.62 64.04 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.083 -0.508 . . . . 74.32 110.902 -179.906 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 8' ' ' ALA . . . . . . . . . . . . . . . -63.68 -26.68 68.77 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.177 -0.465 . . . . 52.21 111.106 179.92 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 9' ' ' ALA . . . . . . . . . . . . . . . -69.26 -42.02 76.15 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.274 -0.421 . . . . 41.31 111.157 179.91 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 10' ' ' LYS . . . . . . . . . . . . . 9.8 mtpt -66.74 -28.01 68.07 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.166 -0.47 . . . . 75.13 110.889 179.937 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 11' ' ' LEU . . . . . . . . . . . . . 62.1 mt -51.81 -46.24 64.21 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.21 -0.45 . . . . 73.24 110.963 179.899 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 12' ' ' PHE . . . . . . . . . . . . . 24.0 m-85 -74.1 -26.51 60.4 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.119 -0.491 . . . . 65.52 110.884 179.963 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 13' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -59.08 -34.76 72.35 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.107 -0.497 . . . . 64.42 110.87 -179.943 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' B' B ' 14' ' ' GLU . . . . . . . . . . . . . 7.1 mt-10 -74.98 -34.38 61.98 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.177 -0.465 . . . . 71.02 110.914 -179.905 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 15' ' ' TRP . . . . . . . . . . . . . 20.4 m0 -57.05 -52.22 66.16 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.089 -0.505 . . . . 73.32 110.935 -179.971 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 16' ' ' LYS . . . . . . . . . . . . . 6.7 tttt -68.26 -25.05 64.98 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.271 -0.422 . . . . 71.42 110.856 179.931 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 17' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -73.06 -55.62 6.25 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.244 -0.434 . . . . 72.31 110.917 179.791 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' B' B ' 18' ' ' LEU . . . . . . . . . . . . . 2.0 mt -55.99 -25.59 44.75 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.236 -0.438 . . . . 74.11 110.942 179.968 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 19' ' ' ALA . . . . . . . . . . . . . . . -73.19 -29.14 62.61 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.127 -0.488 . . . . 70.03 111.119 179.737 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 20' ' ' GLU . . . . . . . . . . . . . 1.9 mm-40 -72.99 -49.37 29.41 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.221 -0.445 . . . . 65.22 110.952 -179.958 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 21' ' ' GLU . . . . . . . . . . . . . 6.7 pt-20 -58.43 -36.6 73.86 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.2 -0.455 . . . . 74.4 110.88 -179.981 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 22' ' ' ALA . . . . . . . . . . . . . . . -75.5 -33.28 60.75 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.124 -0.489 . . . . 75.03 111.09 179.937 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 23' ' ' ALA . . . . . . . . . . . . . . . -70.8 -51.95 23.63 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.213 -0.448 . . . . 74.13 111.057 179.982 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 24' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -60.89 -37.69 83.05 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.274 -0.421 . . . . 74.45 110.894 179.994 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' B' B ' 25' ' ' LEU . . . . . . . . . . . . . 14.7 mt -76.78 -38.55 53.84 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.223 -0.444 . . . . 75.25 110.938 179.92 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 26' ' ' LEU . . . . . . . . . . . . . 5.3 mt -50.14 -43.47 52.0 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.202 -0.454 . . . . 70.02 110.88 179.899 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 27' ' ' GLU . . . . . . . . . . . . . 2.1 mt-10 -95.23 -10.74 29.49 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.212 -0.449 . . . . 74.23 110.846 179.926 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 28' ' ' GLY . . . . . . . . . . . . . . . 62.15 18.21 57.26 Favored Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.786 -0.721 . . . . 71.44 112.494 -179.931 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 29' ' ' GLY . . . . . . . . . . . . . . . 89.02 18.59 53.7 Favored Glycine 0 N--CA 1.452 -0.274 0 C-N-CA 120.748 -0.739 . . . . 71.44 112.475 -179.907 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 30' ' ' GLY . . . . . . . . . . . . . . . 135.39 85.24 0.2 Allowed Glycine 0 N--CA 1.451 -0.338 0 C-N-CA 120.755 -0.736 . . . . 65.42 112.502 -179.914 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 31' ' ' GLY . . . . . . . . . . . . . . . -155.15 152.41 23.93 Favored Glycine 0 N--CA 1.451 -0.328 0 C-N-CA 120.765 -0.731 . . . . 74.04 112.477 -179.896 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 32' ' ' GLY . . . . . . . . . . . . . . . 52.41 -136.5 35.63 Favored Glycine 0 N--CA 1.452 -0.239 0 C-N-CA 120.714 -0.755 . . . . 63.43 112.411 -179.979 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 33' ' ' GLY . . . . . . . . . . . . . . . 179.64 -105.35 0.19 Allowed Glycine 0 N--CA 1.451 -0.349 0 C-N-CA 120.751 -0.738 . . . . 73.44 112.513 -179.888 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 34' ' ' GLY . . . . . . . . . . . . . . . 93.82 -46.84 2.28 Favored Glycine 0 N--CA 1.451 -0.344 0 C-N-CA 120.698 -0.763 . . . . 63.44 112.562 -179.904 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 35' ' ' GLY . . . . . . . . . . . . . . . 85.04 -85.34 1.57 Allowed Glycine 0 N--CA 1.451 -0.336 0 C-N-CA 120.712 -0.756 . . . . 63.31 112.5 -179.953 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 36' ' ' GLU . . . . . . . . . . . . . 62.3 tt0 -68.61 -23.32 64.44 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.852 0.358 . . . . 72.51 110.848 -179.877 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 37' ' ' LEU . . . . . . . . . . . . . 18.2 tp -51.47 -54.62 25.1 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.201 -0.454 . . . . 64.32 110.908 -179.984 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 38' ' ' MET . . . . . . . . . . . . . 35.0 ttm -62.01 -38.98 90.71 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.19 -0.459 . . . . 73.34 110.87 179.863 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 39' ' ' LYS . . . . . . . . . . . . . 2.2 tttp -54.12 -34.57 60.62 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.199 -0.455 . . . . 74.43 110.889 179.937 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 40' ' ' LEU . . . . . . . . . . . . . 69.4 mt -73.82 -34.98 64.8 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.211 -0.45 . . . . 74.31 110.959 179.862 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 41' ' ' CYS . . . . . . . . . . . . . 21.0 m -74.9 -29.68 61.07 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 116.253 -0.431 . . . . 73.12 110.901 179.921 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 42' ' ' GLU . . . . . . . . . . . . . 2.7 mt-10 -62.18 -26.04 68.12 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.161 -0.472 . . . . 74.01 110.9 -179.899 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 43' ' ' GLU . . . . . . . . . . . . . 3.1 mm-40 -54.89 -34.99 63.62 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.157 -0.474 . . . . 72.22 110.875 -179.939 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 44' ' ' ALA . . . . . . . . . . . . . . . -52.0 -41.49 62.24 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.17 -0.468 . . . . 73.23 111.089 -179.978 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 45' ' ' ALA . . . . . . . . . . . . . . . -75.19 -22.93 57.68 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.258 -0.428 . . . . 73.45 111.109 179.909 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 46' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -73.85 -48.96 27.38 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.21 -0.45 . . . . 74.32 110.943 179.982 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' B' B ' 47' ' ' LYS . . . . . . . . . . . . . 1.4 mptp? -63.79 -52.66 59.26 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.235 -0.439 . . . . 74.23 110.922 179.77 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 48' ' ' ALA . . . . . . . . . . . . . . . -56.04 -34.13 65.6 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.201 -0.454 . . . . 63.45 111.112 179.835 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 49' ' ' GLU . . . . . . . . . . . . . 2.6 tm-20 -70.58 -42.26 71.3 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.172 -0.467 . . . . 72.22 110.851 -179.867 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 50' ' ' GLU . . . . . . . . . . . . . 35.1 tt0 -72.65 -26.74 61.76 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.117 -0.492 . . . . 72.43 110.918 -179.942 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 51' ' ' LEU . . . . . . . . . . . . . 9.8 mt -72.12 -43.86 64.08 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.149 -0.478 . . . . 73.14 110.922 179.984 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 52' ' ' PHE . . . . . . . . . . . . . 44.8 t80 -57.06 -24.02 50.9 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.254 -0.43 . . . . 71.34 110.866 179.942 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 53' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -72.12 -46.63 55.87 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.236 -0.438 . . . . 75.32 110.902 179.956 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' B' B ' 54' ' ' LEU . . . . . . . . . . . . . 18.7 tp -55.23 -25.35 32.76 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.242 -0.436 . . . . 73.25 110.898 179.88 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 55' ' ' ALA . . . . . . . . . . . . . . . -54.18 -34.49 60.64 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.268 -0.424 . . . . 71.21 111.115 179.767 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 56' ' ' GLU . . . . . . . . . . . . . 34.0 tt0 -55.27 -28.18 51.6 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.166 -0.47 . . . . 70.32 110.844 -179.861 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 57' ' ' GLU . . . . . . . . . . . . . 11.1 tt0 -64.77 -47.05 79.57 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.173 -0.467 . . . . 75.41 110.876 -179.928 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 58' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -77.54 -31.47 53.32 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.092 -0.503 . . . . 72.44 110.846 -179.86 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' B' B ' 59' ' ' LEU . . . . . . . . . . . . . 19.8 tp -73.26 -62.53 1.44 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.179 -0.464 . . . . 74.43 110.874 -179.934 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 60' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -120.95 -77.29 0.58 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.172 -0.467 . . . . 70.52 110.905 179.847 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' B' B ' 61' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -179.51 123.26 0.08 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.231 -0.441 . . . . 74.5 110.919 179.872 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' B' B ' 62' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER . . . . . 0 C--N 1.329 -0.293 0 CA-C-N 116.222 -0.444 . . . . 75.41 110.902 179.896 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.232 0.165 0 CA-C-O 120.881 0.372 . . . . 74.4 110.886 . . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 4.3 mtmp? -153.46 -55.58 0.11 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.215 -0.448 . . . . 71.25 110.93 179.879 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 3.1 mm? -133.71 12.87 4.06 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.266 -0.424 . . . . 74.11 110.957 179.845 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 2.6 mtp180 -72.34 -47.8 46.82 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.218 -0.447 . . . . 75.31 110.829 -179.958 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 12.5 pt-20 -53.84 -31.17 48.41 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.185 -0.461 . . . . 65.03 110.861 -179.927 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 12.1 mm-40 -53.76 -36.94 62.9 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.146 -0.479 . . . . 75.34 110.945 -179.946 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -65.97 -26.77 67.71 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.069 -0.514 . . . . 73.13 111.086 179.959 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -74.15 -28.98 61.57 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.195 -0.457 . . . . 64.02 111.077 179.902 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -75.95 -32.78 59.68 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.284 -0.416 . . . . 75.54 110.885 179.998 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 47.6 mt -51.64 -49.15 62.84 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.23 -0.441 . . . . 73.4 110.97 179.883 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 21.6 m-85 -74.27 -22.02 59.49 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.14 -0.482 . . . . 74.22 110.879 179.936 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 19.5 tt0 -59.5 -37.34 78.03 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.181 -0.463 . . . . 74.43 110.884 -179.969 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 9.4 mt-10 -75.0 -34.1 61.9 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.16 -0.473 . . . . 64.42 110.921 -179.921 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 15' ' ' TRP . . . . . . . . . . . . . 19.8 m0 -53.82 -51.77 62.48 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.139 -0.482 . . . . 72.34 110.926 179.975 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -71.84 -30.57 65.61 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.223 -0.444 . . . . 74.32 110.891 179.971 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 1.8 tttm -64.72 -51.21 63.59 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.219 -0.446 . . . . 73.32 110.961 179.852 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 3.2 mt -56.16 -24.98 44.73 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.187 -0.46 . . . . 74.05 110.951 179.828 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -73.35 -29.42 62.65 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.182 -0.463 . . . . 65.34 111.112 179.802 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 32.7 mt-10 -73.2 -50.02 24.76 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.176 -0.465 . . . . 74.52 110.881 -179.92 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 11.2 pt-20 -56.56 -46.51 80.68 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.163 -0.472 . . . . 74.14 110.847 -179.938 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -64.19 -33.0 74.8 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.158 -0.474 . . . . 74.11 111.136 179.956 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -70.85 -49.75 42.8 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.207 -0.452 . . . . 73.31 111.067 179.946 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 9.4 ptpt -64.51 -36.66 84.91 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.225 -0.443 . . . . 75.42 110.868 179.973 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 11.3 mt -76.76 -38.62 53.81 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.221 -0.445 . . . . 73.12 110.903 179.991 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 2.8 mt -50.23 -46.24 54.6 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.252 -0.431 . . . . 72.45 110.961 179.786 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 24.0 tp10 -88.93 -12.0 42.88 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.19 -0.459 . . . . 73.34 110.835 179.946 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . 66.12 20.9 69.48 Favored Glycine 0 N--CA 1.453 -0.197 0 C-N-CA 120.669 -0.777 . . . . 70.01 112.477 -179.961 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . -136.14 -54.66 0.06 OUTLIER Glycine 0 N--CA 1.45 -0.37 0 C-N-CA 120.795 -0.717 . . . . 75.52 112.509 -179.909 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . 134.42 98.33 0.6 Allowed Glycine 0 N--CA 1.45 -0.382 0 C-N-CA 120.828 -0.701 . . . . 63.45 112.512 -179.93 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . 128.85 -24.63 4.81 Favored Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 120.718 -0.753 . . . . 75.24 112.536 -179.807 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . 98.94 -179.0 31.14 Favored Glycine 0 N--CA 1.451 -0.31 0 C-N-CA 120.734 -0.746 . . . . 73.51 112.481 -179.856 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -69.58 -23.63 76.56 Favored Glycine 0 N--CA 1.451 -0.355 0 C-N-CA 120.804 -0.712 . . . . 53.34 112.428 -179.891 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 72.95 77.97 0.56 Allowed Glycine 0 N--CA 1.45 -0.385 0 C-N-CA 120.73 -0.748 . . . . 53.1 112.508 -179.865 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . -179.99 -155.87 16.51 Favored Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.75 -0.738 . . . . 64.41 112.516 -179.87 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 7.8 mt-10 -66.87 -53.11 35.58 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.905 0.384 . . . . 72.23 110.929 -179.897 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -52.48 -54.62 30.04 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.144 -0.48 . . . . 75.3 110.906 -179.995 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 38' ' ' MET . . . . . . . . . . . . . 0.8 OUTLIER -59.19 -31.58 69.15 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.186 -0.461 . . . . 71.11 110.878 179.846 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -54.04 -29.66 44.72 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.192 -0.458 . . . . 75.12 110.908 -179.981 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 43.8 mt -71.44 -33.76 69.66 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.149 -0.478 . . . . 75.22 110.95 179.927 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 41' ' ' CYS . . . . . . . . . . . . . 25.9 m -74.82 -31.52 61.71 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.13 -0.486 . . . . 72.44 110.879 179.91 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 37.2 tt0 -71.28 -26.13 62.75 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.22 -0.445 . . . . 62.52 110.881 -179.87 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 3.3 mm-40 -55.08 -31.23 61.01 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.142 -0.481 . . . . 70.42 110.933 -179.946 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -51.81 -42.52 62.55 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.125 -0.489 . . . . 74.45 111.107 179.912 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -75.19 -23.02 57.61 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.214 -0.448 . . . . 63.23 111.095 179.931 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -72.82 -47.9 42.43 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.234 -0.439 . . . . 75.43 110.874 179.962 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -74.13 -48.37 29.86 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.247 -0.433 . . . . 72.52 110.855 179.955 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -52.23 -49.33 64.21 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.251 -0.431 . . . . 74.41 111.037 179.847 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 53.1 tp10 -54.68 -32.93 60.1 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.208 -0.451 . . . . 75.34 110.866 -179.929 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -70.31 -26.5 63.81 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.13 -0.486 . . . . 71.34 110.879 -179.909 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 12.2 mt -71.58 -46.89 58.05 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.187 -0.46 . . . . 75.52 110.922 179.972 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 52' ' ' PHE . . . . . . . . . . . . . 52.0 t80 -57.0 -23.97 50.16 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.17 -0.468 . . . . 72.42 110.84 179.964 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -51.92 -52.26 51.28 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.254 -0.43 . . . . 73.44 110.907 -179.99 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 54' ' ' LEU . . . . . . . . . . . . . 4.3 mm? -60.52 -36.73 79.08 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.187 -0.461 . . . . 73.12 110.892 179.926 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -56.07 -27.73 54.72 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.222 -0.445 . . . . 74.21 111.086 179.811 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 51.7 tt0 -77.25 -24.46 51.13 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.232 -0.44 . . . . 54.42 110.83 -179.895 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 11.7 tp10 -68.87 -48.78 62.55 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.191 -0.459 . . . . 74.54 110.913 -179.966 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -78.0 -30.39 50.05 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.166 -0.47 . . . . 72.2 110.938 -179.971 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 59' ' ' LEU . . . . . . . . . . . . . 15.9 tp -73.65 -62.39 1.5 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.109 -0.496 . . . . 74.0 110.945 -179.976 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -123.13 -175.55 3.21 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.133 -0.485 . . . . 75.12 110.876 179.822 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 5.3 tttt -83.49 78.55 9.64 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.187 -0.461 . . . . 73.43 110.953 179.835 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 5.1 tt . . . . . 0 C--N 1.329 -0.319 0 CA-C-N 116.199 -0.455 . . . . 74.43 110.899 179.938 . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' B' B ' 1' ' ' MET . . . . . . . . . . . . . 2.7 mmt . . . . . 0 C--O 1.232 0.176 0 CA-C-O 120.815 0.34 . . . . 70.43 110.847 . . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' B' B ' 2' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -100.53 143.24 30.94 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.251 -0.431 . . . . 75.33 110.904 179.946 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' B' B ' 3' ' ' LYS . . . . . . . . . . . . . 4.3 mtmp? -152.46 -56.41 0.13 Allowed 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.253 -0.431 . . . . 73.23 110.871 179.907 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 4' ' ' LEU . . . . . . . . . . . . . 3.1 mm? -133.85 12.3 4.0 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.249 -0.432 . . . . 74.34 110.898 179.972 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 5' ' ' ARG . . . . . . . . . . . . . 2.3 mtp180 -72.32 -48.04 45.19 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.202 -0.454 . . . . 65.11 110.868 179.975 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 6' ' ' GLU . . . . . . . . . . . . . 14.4 pt-20 -52.88 -28.95 25.46 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.235 -0.439 . . . . 75.14 110.943 -179.964 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 7' ' ' GLU . . . . . . . . . . . . . 12.1 mm-40 -54.24 -32.83 56.98 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.113 -0.494 . . . . 73.44 110.914 -179.957 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 8' ' ' ALA . . . . . . . . . . . . . . . -70.35 -26.72 63.87 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.139 -0.482 . . . . 73.24 111.14 179.881 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 9' ' ' ALA . . . . . . . . . . . . . . . -69.2 -31.02 69.33 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.198 -0.455 . . . . 72.3 111.121 179.916 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 10' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -75.48 -33.9 60.85 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.204 -0.453 . . . . 73.23 110.843 -179.974 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' B' B ' 11' ' ' LEU . . . . . . . . . . . . . 45.4 mt -52.05 -46.78 65.21 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.27 -0.423 . . . . 73.24 110.863 179.92 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 12' ' ' PHE . . . . . . . . . . . . . 20.6 m-85 -72.9 -21.95 60.82 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.213 -0.449 . . . . 74.14 110.896 179.95 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 13' ' ' GLU . . . . . . . . . . . . . 19.4 tt0 -58.97 -36.75 75.38 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.111 -0.495 . . . . 62.43 110.877 -179.906 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 14' ' ' GLU . . . . . . . . . . . . . 9.1 mt-10 -75.1 -34.24 61.7 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.169 -0.469 . . . . 75.31 110.914 -179.956 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 15' ' ' TRP . . . . . . . . . . . . . 22.6 m0 -54.01 -50.44 66.62 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.115 -0.493 . . . . 73.35 110.928 -179.942 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 16' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -71.43 -30.9 66.6 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.216 -0.447 . . . . 72.05 110.887 179.946 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' B' B ' 17' ' ' LYS . . . . . . . . . . . . . 1.8 tttm -65.5 -50.92 63.51 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.218 -0.446 . . . . 73.11 110.886 179.883 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 18' ' ' LEU . . . . . . . . . . . . . 3.1 mt -56.07 -24.99 43.34 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.244 -0.435 . . . . 73.43 110.919 179.884 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 19' ' ' ALA . . . . . . . . . . . . . . . -73.46 -29.42 62.53 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.174 -0.467 . . . . 74.31 111.146 179.763 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 20' ' ' GLU . . . . . . . . . . . . . 32.5 mt-10 -73.2 -49.93 25.28 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.184 -0.462 . . . . 72.21 110.871 -179.907 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 21' ' ' GLU . . . . . . . . . . . . . 11.2 pt-20 -56.67 -46.3 81.2 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.18 -0.464 . . . . 75.04 110.889 -179.903 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 22' ' ' ALA . . . . . . . . . . . . . . . -64.35 -33.02 74.89 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.223 -0.444 . . . . 65.21 111.077 179.923 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 23' ' ' ALA . . . . . . . . . . . . . . . -70.91 -49.55 44.55 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.18 -0.464 . . . . 61.13 111.082 179.964 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 24' ' ' LYS . . . . . . . . . . . . . 9.3 ptpt -64.61 -36.7 85.09 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.236 -0.438 . . . . 74.01 110.911 179.97 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 25' ' ' LEU . . . . . . . . . . . . . 11.4 mt -76.66 -38.67 54.17 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.193 -0.458 . . . . 74.33 110.894 179.91 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 26' ' ' LEU . . . . . . . . . . . . . 2.8 mt -50.35 -46.02 55.52 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.25 -0.432 . . . . 72.04 110.93 179.928 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 27' ' ' GLU . . . . . . . . . . . . . 24.1 tp10 -89.18 -12.11 41.86 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.189 -0.46 . . . . 73.24 110.866 179.926 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 28' ' ' GLY . . . . . . . . . . . . . . . 66.15 21.92 70.37 Favored Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.784 -0.722 . . . . 62.34 112.408 179.973 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 29' ' ' GLY . . . . . . . . . . . . . . . -135.76 -54.14 0.06 OUTLIER Glycine 0 N--CA 1.451 -0.33 0 C-N-CA 120.722 -0.752 . . . . 44.42 112.542 -179.963 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 30' ' ' GLY . . . . . . . . . . . . . . . 134.99 98.21 0.57 Allowed Glycine 0 N--CA 1.451 -0.309 0 C-N-CA 120.706 -0.759 . . . . 64.42 112.488 -179.948 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 31' ' ' GLY . . . . . . . . . . . . . . . 128.54 -24.01 5.0 Favored Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.758 -0.734 . . . . 42.13 112.472 -179.915 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 32' ' ' GLY . . . . . . . . . . . . . . . 99.42 -179.57 30.74 Favored Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.766 -0.731 . . . . 73.41 112.422 -179.964 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 33' ' ' GLY . . . . . . . . . . . . . . . -69.67 -23.17 76.85 Favored Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 120.661 -0.78 . . . . 53.11 112.49 -179.921 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 34' ' ' GLY . . . . . . . . . . . . . . . 72.63 77.46 0.57 Allowed Glycine 0 N--CA 1.451 -0.35 0 C-N-CA 120.787 -0.721 . . . . 70.13 112.466 -179.92 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 35' ' ' GLY . . . . . . . . . . . . . . . 179.6 -154.51 13.85 Favored Glycine 0 N--CA 1.452 -0.299 0 C-N-CA 120.668 -0.777 . . . . 70.14 112.471 -179.908 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 36' ' ' GLU . . . . . . . . . . . . . 7.5 mt-10 -66.14 -51.66 55.77 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.875 0.369 . . . . 75.0 110.849 -179.824 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 37' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -51.82 -55.2 21.33 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.113 -0.494 . . . . 74.5 110.906 -179.931 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' B' B ' 38' ' ' MET . . . . . . . . . . . . . 0.8 OUTLIER -59.75 -32.1 70.26 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.147 -0.479 . . . . 72.11 110.867 179.818 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' B' B ' 39' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -54.61 -29.44 51.78 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.194 -0.457 . . . . 75.02 110.895 -179.988 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' B' B ' 40' ' ' LEU . . . . . . . . . . . . . 45.8 mt -70.66 -34.17 71.74 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.234 -0.439 . . . . 73.35 110.904 179.865 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 41' ' ' CYS . . . . . . . . . . . . . 26.1 m -75.07 -33.54 61.69 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.205 -0.452 . . . . 52.31 110.909 179.965 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 42' ' ' GLU . . . . . . . . . . . . . 37.5 tt0 -73.05 -25.92 61.1 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 116.113 -0.494 . . . . 72.53 110.858 -179.878 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 43' ' ' GLU . . . . . . . . . . . . . 3.3 mm-40 -55.04 -31.65 61.27 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.219 -0.446 . . . . 75.51 110.91 -179.908 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 44' ' ' ALA . . . . . . . . . . . . . . . -51.89 -42.72 62.93 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.148 -0.478 . . . . 73.4 111.124 179.895 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 45' ' ' ALA . . . . . . . . . . . . . . . -75.1 -22.9 57.94 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.247 -0.433 . . . . 63.33 111.128 179.911 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 46' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -71.55 -47.49 54.71 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.212 -0.449 . . . . 64.51 110.858 -179.995 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' B' B ' 47' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -73.49 -50.55 20.94 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.268 -0.424 . . . . 73.12 110.95 179.851 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' B' B ' 48' ' ' ALA . . . . . . . . . . . . . . . -53.09 -48.93 67.38 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.223 -0.444 . . . . 72.14 111.052 179.822 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 49' ' ' GLU . . . . . . . . . . . . . 53.2 tp10 -54.41 -32.37 57.12 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.241 -0.436 . . . . 73.35 110.893 -179.89 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 50' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -69.88 -28.96 66.07 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.112 -0.494 . . . . 73.13 110.855 -179.93 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' B' B ' 51' ' ' LEU . . . . . . . . . . . . . 11.8 mt -73.08 -50.95 19.99 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.131 -0.486 . . . . 75.04 110.916 -179.931 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 52' ' ' PHE . . . . . . . . . . . . . 53.7 t80 -60.36 -23.91 64.66 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.192 -0.458 . . . . 74.24 110.877 179.92 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 53' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -54.28 -59.22 4.96 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.155 -0.475 . . . . 73.44 110.854 -179.971 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' B' B ' 54' ' ' LEU . . . . . . . . . . . . . 4.5 mm? -75.05 -42.51 56.9 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.219 -0.446 . . . . 75.13 110.887 179.999 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 55' ' ' ALA . . . . . . . . . . . . . . . -55.69 -29.28 59.12 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.292 -0.413 . . . . 75.22 111.076 179.771 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 56' ' ' GLU . . . . . . . . . . . . . 52.4 tt0 -77.24 -24.45 51.18 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.229 -0.441 . . . . 71.13 110.874 -179.931 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 57' ' ' GLU . . . . . . . . . . . . . 11.4 tp10 -64.63 -48.45 74.8 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.164 -0.471 . . . . 71.12 110.893 -179.96 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 58' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -77.79 -31.11 51.67 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.195 -0.457 . . . . 73.13 110.891 -179.929 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' B' B ' 59' ' ' LEU . . . . . . . . . . . . . 3.8 mp -71.77 -59.05 2.95 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.14 -0.482 . . . . 74.44 110.873 -179.993 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 60' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -127.73 -178.98 4.7 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.267 -0.424 . . . . 73.35 110.934 179.833 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' B' B ' 61' ' ' LYS . . . . . . . . . . . . . 5.4 tttt -85.85 79.28 9.31 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.26 -0.427 . . . . 70.04 110.941 179.865 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 62' ' ' LEU . . . . . . . . . . . . . 4.8 tt . . . . . 0 C--N 1.328 -0.331 0 CA-C-N 116.185 -0.461 . . . . 75.52 110.877 179.981 . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.231 0.101 0 CA-C-O 120.853 0.359 . . . . 74.2 110.898 . . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 15.0 ttpt -141.51 -42.54 0.36 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.268 -0.424 . . . . 73.35 110.945 179.844 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 3.8 mm? -70.99 -33.83 70.79 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.222 -0.444 . . . . 74.14 110.966 179.883 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 5.4 mtt-85 -72.02 -40.54 68.39 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 116.18 -0.464 . . . . 65.54 110.903 179.94 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 4.9 tt0 -52.99 -27.59 19.9 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.164 -0.471 . . . . 72.13 110.861 -179.969 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 67.0 mt-10 -55.19 -28.39 52.63 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.184 -0.462 . . . . 71.0 110.878 -179.909 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -76.12 -26.53 56.46 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.199 -0.455 . . . . 74.24 111.085 179.918 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -75.97 -26.95 57.28 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.265 -0.425 . . . . 72.25 111.106 179.888 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 19.3 mtpt -68.73 -54.57 15.29 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.217 -0.447 . . . . 62.12 110.871 -179.987 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 1.6 pp -57.31 -44.75 84.41 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.235 -0.438 . . . . 74.25 110.899 179.94 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 9.1 m-85 -65.57 -20.19 66.23 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.251 -0.432 . . . . 74.34 110.915 179.922 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -65.16 -38.99 92.31 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.141 -0.481 . . . . 74.1 110.909 -179.93 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 4.3 mt-10 -75.47 -28.83 59.41 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.178 -0.465 . . . . 74.12 110.823 -179.885 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 15' ' ' TRP . . . . . . . . . . . . . 1.0 OUTLIER -63.0 -47.3 83.7 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.136 -0.484 . . . . 73.41 110.93 -179.975 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 2.8 ttpt -77.24 -25.13 51.24 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.246 -0.434 . . . . 71.11 110.931 179.888 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 1.7 mmmt -73.13 -53.93 9.78 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.189 -0.46 . . . . 75.11 110.892 179.852 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 77.2 mt -54.77 -32.75 60.42 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.154 -0.475 . . . . 74.22 110.932 179.926 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -68.56 -26.34 65.36 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.192 -0.458 . . . . 74.24 111.072 179.804 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 1.7 mt-10 -73.3 -49.28 28.4 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.255 -0.429 . . . . 70.54 110.871 -179.889 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 3.3 mm-40 -73.2 -50.14 24.14 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.215 -0.448 . . . . 74.22 110.889 -179.973 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -56.64 -22.6 35.4 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.146 -0.479 . . . . 73.4 111.136 179.936 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -76.06 -54.75 6.37 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.175 -0.466 . . . . 70.35 111.083 179.949 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -66.27 -30.14 70.51 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.269 -0.423 . . . . 70.42 110.912 179.933 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 5.4 mt -77.64 -42.21 35.63 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.245 -0.434 . . . . 74.32 110.907 179.894 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 4.8 mt -50.5 -49.76 54.67 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.153 -0.476 . . . . 74.42 110.88 179.949 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 18.4 mt-10 -90.69 12.15 19.99 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.188 -0.46 . . . . 72.43 110.913 179.934 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . -59.58 -14.32 27.9 Favored Glycine 0 N--CA 1.45 -0.375 0 C-N-CA 120.686 -0.769 . . . . 55.12 112.545 -179.992 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . 136.1 47.35 0.08 OUTLIER Glycine 0 N--CA 1.451 -0.357 0 C-N-CA 120.697 -0.763 . . . . 54.24 112.471 -179.909 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . 152.13 86.25 0.05 OUTLIER Glycine 0 N--CA 1.451 -0.337 0 C-N-CA 120.708 -0.758 . . . . 53.15 112.441 -179.936 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . 145.13 40.55 0.05 OUTLIER Glycine 0 N--CA 1.452 -0.279 0 C-N-CA 120.724 -0.751 . . . . 71.42 112.458 -179.954 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . -161.91 174.2 38.35 Favored Glycine 0 N--CA 1.451 -0.342 0 C-N-CA 120.772 -0.728 . . . . 61.14 112.487 -179.953 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -161.14 50.38 0.35 Allowed Glycine 0 N--CA 1.451 -0.323 0 C-N-CA 120.733 -0.746 . . . . 55.44 112.558 -179.924 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 132.19 -135.16 7.99 Favored Glycine 0 N--CA 1.451 -0.34 0 C-N-CA 120.754 -0.736 . . . . 51.34 112.496 -179.89 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . -130.13 -63.82 0.1 Allowed Glycine 0 N--CA 1.451 -0.34 0 C-N-CA 120.7 -0.762 . . . . 63.53 112.481 -179.852 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 23.6 tt0 -52.0 -35.04 45.35 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-O 120.915 0.388 . . . . 70.32 110.939 -179.919 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 7.1 tp -57.0 -47.67 80.3 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.142 -0.481 . . . . 75.23 110.902 179.978 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 38' ' ' MET . . . . . . . . . . . . . 0.1 OUTLIER -70.54 -27.22 63.99 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.207 -0.451 . . . . 73.41 110.924 179.852 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -53.81 -27.87 31.87 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.2 -0.455 . . . . 70.03 110.922 179.898 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 2.1 mt -54.89 -61.0 2.6 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.202 -0.454 . . . . 71.23 110.919 179.941 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 41' ' ' CYS . . . . . . . . . . . . . 20.2 p -68.01 -27.01 66.19 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.218 -0.446 . . . . 74.04 110.857 179.948 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 29.4 tt0 -58.51 -25.25 62.2 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.17 -0.468 . . . . 75.33 110.882 -179.856 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 1.4 mm-40 -54.68 -27.7 42.1 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.104 -0.498 . . . . 63.3 110.903 -179.929 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -51.82 -46.31 64.24 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.187 -0.46 . . . . 73.4 111.123 179.932 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -72.82 -22.82 60.75 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.246 -0.434 . . . . 74.53 111.01 179.945 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -77.07 -53.11 8.2 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.223 -0.444 . . . . 74.43 110.925 179.969 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -68.04 -51.13 50.32 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.235 -0.439 . . . . 71.12 110.878 179.89 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -51.82 -44.58 63.58 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.325 -0.398 . . . . 64.01 111.148 179.797 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 41.5 tt0 -77.23 -30.89 54.77 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.186 -0.461 . . . . 64.21 110.869 -179.906 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 1.3 mm-40 -65.94 -51.34 59.36 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.177 -0.465 . . . . 71.11 110.861 -179.976 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 3.6 pp -70.0 -40.42 75.29 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.154 -0.476 . . . . 73.01 110.96 -179.918 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 52' ' ' PHE . . . . . . . . . . . . . 34.8 t80 -69.54 -23.82 63.63 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.147 -0.479 . . . . 74.32 110.922 179.846 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -64.68 -59.0 4.77 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.146 -0.479 . . . . 74.42 110.947 179.944 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 54' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -75.23 -23.59 57.58 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.12 -0.491 . . . . 74.24 110.931 179.936 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -56.18 -37.03 69.04 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.133 -0.485 . . . . 62.53 111.107 179.818 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 13.9 mt-10 -53.01 -32.84 48.8 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.223 -0.444 . . . . 74.23 110.876 -179.922 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 2.0 tm-20 -60.32 -50.99 71.42 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.094 -0.503 . . . . 74.44 110.898 -179.938 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -78.22 -22.3 48.72 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.145 -0.48 . . . . 73.45 110.886 -179.943 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 59' ' ' LEU . . . . . . . . . . . . . 39.2 mt -82.98 -76.72 0.26 Allowed 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.151 -0.477 . . . . 73.54 110.89 -179.903 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -102.36 -175.68 2.89 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.23 -0.441 . . . . 62.42 110.896 179.787 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -101.83 -26.99 13.26 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.221 -0.445 . . . . 73.13 110.835 179.92 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 1.7 mt . . . . . 0 C--N 1.328 -0.356 0 CA-C-N 116.226 -0.443 . . . . 74.22 110.906 179.896 . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' B' B ' 1' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.458 -0.074 0 CA-C-O 120.873 0.368 . . . . 74.11 110.914 . . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 2' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 63.09 162.21 0.1 Allowed 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.161 -0.472 . . . . 72.42 110.883 179.929 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' B' B ' 3' ' ' LYS . . . . . . . . . . . . . 15.0 ttpt -141.67 -42.35 0.36 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.232 -0.44 . . . . 73.4 110.837 179.871 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 4' ' ' LEU . . . . . . . . . . . . . 3.8 mm? -71.27 -33.05 69.42 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.211 -0.449 . . . . 74.52 110.944 179.907 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 5' ' ' ARG . . . . . . . . . . . . . 5.3 mtt-85 -71.88 -40.69 68.74 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.236 -0.438 . . . . 73.11 110.888 179.906 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 6' ' ' GLU . . . . . . . . . . . . . 4.9 tt0 -53.43 -26.71 21.14 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.19 -0.459 . . . . 71.32 110.904 -179.948 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 7' ' ' GLU . . . . . . . . . . . . . 67.1 mt-10 -55.02 -28.15 49.89 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.168 -0.469 . . . . 75.33 110.913 -179.918 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 8' ' ' ALA . . . . . . . . . . . . . . . -75.76 -26.62 57.55 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.142 -0.481 . . . . 72.01 111.143 179.897 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 9' ' ' ALA . . . . . . . . . . . . . . . -77.22 -26.02 52.27 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.196 -0.456 . . . . 62.11 111.125 179.922 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 10' ' ' LYS . . . . . . . . . . . . . 19.5 mtpt -68.06 -54.09 20.85 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.224 -0.444 . . . . 62.35 110.893 179.952 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 11' ' ' LEU . . . . . . . . . . . . . 1.5 pp -55.89 -44.33 78.07 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.253 -0.431 . . . . 74.02 110.871 179.949 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 12' ' ' PHE . . . . . . . . . . . . . 14.2 m-85 -67.12 -20.54 65.79 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.227 -0.442 . . . . 73.32 110.915 179.951 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 13' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -61.99 -26.06 68.0 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.111 -0.495 . . . . 74.04 110.869 -179.887 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' B' B ' 14' ' ' GLU . . . . . . . . . . . . . 5.1 mt-10 -72.42 -34.45 67.85 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.18 -0.464 . . . . 75.44 110.895 -179.888 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 15' ' ' TRP . . . . . . . . . . . . . 5.6 t90 -66.88 -43.39 83.61 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.114 -0.493 . . . . 75.42 110.912 179.973 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 16' ' ' LYS . . . . . . . . . . . . . 3.0 ttpt -77.53 -30.31 52.78 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.303 -0.408 . . . . 62.44 110.947 179.891 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 17' ' ' LYS . . . . . . . . . . . . . 2.5 mmmt -75.3 -58.14 3.47 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.212 -0.449 . . . . 73.41 110.887 179.822 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 18' ' ' LEU . . . . . . . . . . . . . 89.3 mt -54.55 -31.95 57.41 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.223 -0.444 . . . . 73.45 110.896 179.962 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 19' ' ' ALA . . . . . . . . . . . . . . . -66.14 -28.08 68.52 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.183 -0.462 . . . . 73.44 111.138 179.761 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 20' ' ' GLU . . . . . . . . . . . . . 1.6 mt-10 -73.57 -49.26 27.23 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.198 -0.455 . . . . 73.14 110.867 -179.895 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 21' ' ' GLU . . . . . . . . . . . . . 3.3 mm-40 -72.87 -51.3 19.26 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.102 -0.499 . . . . 74.14 110.889 -179.947 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 22' ' ' ALA . . . . . . . . . . . . . . . -55.59 -22.76 23.65 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.193 -0.458 . . . . 72.15 111.118 179.907 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 23' ' ' ALA . . . . . . . . . . . . . . . -76.2 -54.56 6.62 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.182 -0.463 . . . . 71.34 111.095 179.964 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 24' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -66.75 -29.92 70.01 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.228 -0.442 . . . . 72.31 110.91 179.928 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' B' B ' 25' ' ' LEU . . . . . . . . . . . . . 5.0 mt -77.69 -42.35 34.84 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.252 -0.431 . . . . 75.42 110.98 179.912 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 26' ' ' LEU . . . . . . . . . . . . . 5.3 mt -50.44 -50.12 53.06 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.12 -0.491 . . . . 73.11 110.912 179.849 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 27' ' ' GLU . . . . . . . . . . . . . 18.1 mt-10 -90.71 12.21 19.82 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.169 -0.469 . . . . 72.32 110.892 179.958 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 28' ' ' GLY . . . . . . . . . . . . . . . -59.29 -14.57 26.97 Favored Glycine 0 N--CA 1.451 -0.331 0 C-N-CA 120.708 -0.758 . . . . 74.22 112.541 179.998 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 29' ' ' GLY . . . . . . . . . . . . . . . 135.31 46.12 0.09 OUTLIER Glycine 0 N--CA 1.451 -0.364 0 C-N-CA 120.801 -0.714 . . . . 71.43 112.551 -179.883 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 30' ' ' GLY . . . . . . . . . . . . . . . 150.76 88.57 0.07 OUTLIER Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 120.707 -0.759 . . . . 74.12 112.48 -179.906 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 31' ' ' GLY . . . . . . . . . . . . . . . 146.58 40.97 0.04 OUTLIER Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.72 -0.752 . . . . 75.23 112.486 -179.943 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 32' ' ' GLY . . . . . . . . . . . . . . . -161.95 173.09 38.24 Favored Glycine 0 N--CA 1.451 -0.338 0 C-N-CA 120.818 -0.706 . . . . 73.23 112.555 -179.981 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 33' ' ' GLY . . . . . . . . . . . . . . . -161.96 49.71 0.34 Allowed Glycine 0 N--CA 1.451 -0.358 0 C-N-CA 120.733 -0.746 . . . . 74.34 112.455 -179.842 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 34' ' ' GLY . . . . . . . . . . . . . . . 131.71 -135.19 8.04 Favored Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 120.755 -0.736 . . . . 64.31 112.462 -179.958 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 35' ' ' GLY . . . . . . . . . . . . . . . -130.22 -64.67 0.1 Allowed Glycine 0 N--CA 1.45 -0.388 0 C-N-CA 120.745 -0.741 . . . . 72.34 112.505 -179.945 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 36' ' ' GLU . . . . . . . . . . . . . 23.5 tt0 -52.82 -35.87 57.72 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.892 0.377 . . . . 71.24 110.886 -179.869 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 37' ' ' LEU . . . . . . . . . . . . . 7.2 tp -57.37 -47.99 80.19 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.156 -0.474 . . . . 75.33 110.91 179.941 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 38' ' ' MET . . . . . . . . . . . . . 0.1 OUTLIER -70.38 -26.64 63.8 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.187 -0.46 . . . . 74.14 110.827 179.914 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' B' B ' 39' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -54.0 -27.68 33.31 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.267 -0.424 . . . . 72.53 110.89 179.965 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' B' B ' 40' ' ' LEU . . . . . . . . . . . . . 2.1 mt -54.01 -61.13 2.5 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.244 -0.434 . . . . 70.12 110.886 179.917 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 41' ' ' CYS . . . . . . . . . . . . . 29.3 p -70.24 -28.4 65.22 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.191 -0.458 . . . . 64.4 110.839 179.997 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 42' ' ' GLU . . . . . . . . . . . . . 29.6 tt0 -60.45 -25.52 66.06 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.194 -0.457 . . . . 73.4 110.861 -179.822 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 43' ' ' GLU . . . . . . . . . . . . . 1.4 mm-40 -54.97 -26.02 33.8 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.184 -0.462 . . . . 64.31 110.833 -179.937 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 44' ' ' ALA . . . . . . . . . . . . . . . -51.75 -47.5 64.06 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.165 -0.47 . . . . 74.53 111.1 179.955 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 45' ' ' ALA . . . . . . . . . . . . . . . -71.85 -22.86 61.47 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.155 -0.475 . . . . 64.1 111.133 179.918 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 46' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -76.49 -52.75 9.2 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.225 -0.443 . . . . 65.3 110.923 179.935 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' B' B ' 47' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -68.45 -48.49 64.4 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.248 -0.433 . . . . 75.22 110.873 179.86 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' B' B ' 48' ' ' ALA . . . . . . . . . . . . . . . -51.89 -46.47 64.56 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.186 -0.461 . . . . 65.32 111.045 179.876 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 49' ' ' GLU . . . . . . . . . . . . . 42.2 tt0 -77.23 -30.6 54.63 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.238 -0.437 . . . . 62.53 110.852 -179.883 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 50' ' ' GLU . . . . . . . . . . . . . 1.2 mm-40 -64.83 -51.26 63.05 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.226 -0.443 . . . . 71.52 110.871 -179.945 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 51' ' ' LEU . . . . . . . . . . . . . 3.6 pp -71.67 -40.31 69.7 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.158 -0.474 . . . . 72.31 110.93 179.989 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 52' ' ' PHE . . . . . . . . . . . . . 32.3 t80 -69.06 -23.82 64.09 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.261 -0.427 . . . . 74.13 110.893 179.916 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 53' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -62.02 -57.01 13.26 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.158 -0.474 . . . . 73.15 110.937 179.927 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' B' B ' 54' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -75.06 -23.71 58.12 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.207 -0.451 . . . . 75.13 110.928 179.891 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' B' B ' 55' ' ' ALA . . . . . . . . . . . . . . . -57.7 -36.48 72.04 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.177 -0.465 . . . . 63.35 111.089 179.811 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 56' ' ' GLU . . . . . . . . . . . . . 14.1 mt-10 -52.97 -33.26 50.47 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.234 -0.439 . . . . 75.21 110.909 -179.908 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 57' ' ' GLU . . . . . . . . . . . . . 2.0 tm-20 -60.38 -50.36 73.92 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.062 -0.517 . . . . 75.43 110.876 -179.898 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 58' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -78.26 -22.65 48.01 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.168 -0.469 . . . . 74.4 110.824 -179.875 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' B' B ' 59' ' ' LEU . . . . . . . . . . . . . 36.1 mt -83.04 -76.61 0.27 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.221 -0.445 . . . . 63.12 110.919 -179.983 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 60' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -102.32 -175.79 2.93 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.24 -0.437 . . . . 71.35 110.927 179.852 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' B' B ' 61' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -101.92 -26.78 13.31 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.298 -0.41 . . . . 74.41 110.87 179.948 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' B' B ' 62' ' ' LEU . . . . . . . . . . . . . 1.7 mt . . . . . 0 C--N 1.329 -0.315 0 CA-C-N 116.211 -0.449 . . . . 73.45 110.872 179.877 . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 6.1 pttm . . . . . 0 C--O 1.232 0.136 0 CA-C-O 120.805 0.336 . . . . 73.53 110.909 . . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -178.4 -39.65 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.198 -0.455 . . . . 73.24 110.941 179.906 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 4.4 mm? -78.4 -32.94 49.02 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.191 -0.459 . . . . 74.44 110.865 179.929 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -71.72 -35.73 70.28 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.186 -0.461 . . . . 74.0 110.863 179.989 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -54.31 -27.78 37.9 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.195 -0.457 . . . . 72.21 110.813 -179.919 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -53.92 -51.81 62.57 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.199 -0.455 . . . . 75.5 110.85 -179.9 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -52.97 -28.13 22.35 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.251 -0.432 . . . . 71.35 111.102 179.889 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -67.95 -39.21 83.44 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.187 -0.461 . . . . 63.04 111.103 179.968 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -74.97 -31.87 61.55 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.194 -0.457 . . . . 73.41 110.882 179.961 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 63.1 mt -51.87 -47.29 64.57 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.265 -0.425 . . . . 70.0 110.948 179.954 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 23.0 m-85 -74.17 -23.37 59.23 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.169 -0.469 . . . . 71.1 110.871 179.95 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 13' ' ' GLU . . . . . 0.6 ' HE2' ' HD3' ' A' ' 17' ' ' LYS . 4.2 tm-20 -61.01 -35.91 78.09 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.095 -0.502 . . . . 74.43 110.918 -179.933 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 4.3 mt-10 -74.81 -30.4 61.4 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.158 -0.474 . . . . 74.31 110.917 -179.93 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 15' ' ' TRP . . . . . . . . . . . . . 20.4 m0 -60.04 -52.8 63.84 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.161 -0.472 . . . . 71.0 110.863 -179.995 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 7.2 tttp -68.8 -28.93 67.2 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.269 -0.423 . . . . 74.53 110.874 179.989 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 17' ' ' LYS . . . . . 0.6 ' HD3' ' HE2' ' A' ' 13' ' ' GLU . 0.0 OUTLIER -68.09 -57.6 5.84 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.236 -0.438 . . . . 70.31 110.926 179.847 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 3.6 mt -54.93 -44.97 74.75 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.208 -0.451 . . . . 73.3 110.912 179.902 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -61.71 -34.28 75.51 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.185 -0.461 . . . . 73.21 111.076 179.831 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -57.88 -49.29 77.23 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.189 -0.46 . . . . 52.14 110.904 -179.939 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 32.6 mt-10 -74.03 -48.85 27.21 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.205 -0.452 . . . . 62.4 110.83 -179.915 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -56.38 -31.01 63.43 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.261 -0.427 . . . . 73.12 111.081 179.941 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -71.02 -54.26 11.86 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.235 -0.439 . . . . 74.35 111.139 179.893 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 5.3 ptpt -62.53 -35.1 78.37 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.233 -0.439 . . . . 75.12 110.943 179.881 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 6.7 mt -76.53 -39.08 53.96 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.266 -0.425 . . . . 63.5 110.909 179.945 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 2.1 mt -50.44 -49.73 54.1 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.179 -0.464 . . . . 74.03 110.922 179.902 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -82.64 -12.25 57.78 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.137 -0.483 . . . . 73.14 110.866 179.967 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . 67.32 20.83 71.76 Favored Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 120.766 -0.73 . . . . 75.41 112.464 -179.967 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . 70.95 21.36 78.23 Favored Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.799 -0.715 . . . . 70.32 112.482 -179.882 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . 143.39 -40.54 1.21 Allowed Glycine 0 N--CA 1.452 -0.239 0 C-N-CA 120.684 -0.77 . . . . 61.23 112.447 -179.939 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . -84.84 77.09 2.14 Favored Glycine 0 N--CA 1.451 -0.347 0 C-N-CA 120.818 -0.706 . . . . 74.22 112.464 -179.867 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . -174.04 -149.48 7.06 Favored Glycine 0 N--CA 1.451 -0.364 0 C-N-CA 120.794 -0.717 . . . . 75.34 112.505 -179.912 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -65.44 -69.46 1.34 Allowed Glycine 0 N--CA 1.45 -0.376 0 C-N-CA 120.775 -0.726 . . . . 71.25 112.501 -179.944 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 67.27 44.6 85.33 Favored Glycine 0 N--CA 1.452 -0.272 0 C-N-CA 120.75 -0.738 . . . . 73.12 112.455 -179.9 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . -137.81 -170.33 11.85 Favored Glycine 0 N--CA 1.451 -0.335 0 C-N-CA 120.707 -0.759 . . . . 65.41 112.467 -179.892 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 28.5 tt0 -54.49 -30.73 54.19 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.852 0.358 . . . . 72.23 110.876 -179.908 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 1.7 pp -54.19 -30.43 49.66 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.157 -0.474 . . . . 75.34 110.834 -179.934 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 38' ' ' MET . . . . . . . . . . . . . 0.4 OUTLIER -70.17 -39.27 75.37 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.186 -0.461 . . . . 71.51 110.898 179.844 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 25.9 ttmt -61.28 -28.31 69.09 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.216 -0.447 . . . . 71.53 110.906 179.964 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 1.6 mt -59.31 -56.44 22.07 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.207 -0.451 . . . . 55.42 110.974 179.879 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 41' ' ' CYS . . . . . . . . . . . . . 28.6 p -73.55 -27.89 61.58 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.14 -0.482 . . . . 74.12 110.804 179.963 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 29.8 tt0 -61.3 -26.11 67.57 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.226 -0.443 . . . . 74.43 110.893 -179.86 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 2.3 mt-10 -57.06 -26.99 61.31 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.179 -0.464 . . . . 70.14 110.897 -179.97 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -52.45 -44.13 65.34 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.149 -0.478 . . . . 74.2 111.102 179.909 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -75.05 -24.31 58.23 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.245 -0.434 . . . . 75.32 111.022 -179.974 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -74.56 -48.72 25.16 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.207 -0.452 . . . . 62.11 110.936 179.961 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 48.7 mmtt -69.74 -51.98 29.43 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.201 -0.454 . . . . 73.5 110.896 179.852 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -52.1 -40.63 61.54 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.243 -0.435 . . . . 62.13 111.178 179.77 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 1.7 tt0 -68.75 -34.35 75.44 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.167 -0.47 . . . . 74.55 110.907 -179.997 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 1.3 tp10 -71.94 -51.03 24.07 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.184 -0.462 . . . . 64.01 110.896 -179.917 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 1.2 pp -68.07 -26.02 65.63 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.093 -0.503 . . . . 73.33 110.941 179.966 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 52' ' ' PHE . . . . . . . . . . . . . 12.1 t80 -54.91 -30.81 59.22 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.22 -0.446 . . . . 75.11 110.877 179.965 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 1.1 mtpp -61.54 -35.8 78.76 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.137 -0.483 . . . . 74.01 110.88 -179.974 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 54' ' ' LEU . . . . . . . . . . . . . 6.6 tp -54.97 -26.22 35.13 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.19 -0.459 . . . . 74.25 110.859 179.905 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -53.75 -28.88 37.08 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.218 -0.447 . . . . 63.53 111.187 179.769 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 22.0 tt0 -65.53 -52.96 48.69 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.184 -0.462 . . . . 75.14 110.913 -179.942 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 9.8 tt0 -54.49 -40.8 68.86 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.144 -0.48 . . . . 75.42 110.888 179.993 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 4.7 mtp180 -78.14 -25.11 47.18 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.126 -0.488 . . . . 74.14 110.905 -179.882 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 59' ' ' LEU . . . . . . . . . . . . . 63.6 tp -85.55 -68.12 0.75 Allowed 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.158 -0.474 . . . . 73.12 110.87 -179.974 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -102.57 -75.28 0.61 Allowed 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.294 -0.412 . . . . 73.14 110.925 179.806 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER -179.79 -34.4 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.243 -0.435 . . . . 74.5 110.937 179.874 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 6.5 tt . . . . . 0 C--N 1.329 -0.302 0 CA-C-N 116.178 -0.465 . . . . 75.15 110.84 179.88 . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' B' B ' 1' ' ' MET . . . . . . . . . . . . . 1.5 ttp . . . . . 0 C--O 1.231 0.117 0 CA-C-O 120.913 0.387 . . . . 73.32 110.869 . . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' B' B ' 2' ' ' LYS . . . . . . . . . . . . . 6.0 pttm -52.17 148.03 6.86 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.232 -0.44 . . . . 75.41 110.844 179.973 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 3' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -178.36 -39.76 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.175 -0.466 . . . . 74.51 110.905 179.814 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' B' B ' 4' ' ' LEU . . . . . . . . . . . . . 4.4 mm? -78.25 -32.82 49.86 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.169 -0.469 . . . . 73.23 110.893 179.984 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 5' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -71.93 -35.89 69.77 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.164 -0.471 . . . . 74.42 110.863 179.935 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' B' B ' 6' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -54.35 -27.26 34.91 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.232 -0.44 . . . . 74.53 110.912 -179.933 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' B' B ' 7' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -53.72 -51.64 62.64 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.1 -0.5 . . . . 75.42 110.916 -179.932 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' B' B ' 8' ' ' ALA . . . . . . . . . . . . . . . -52.86 -27.66 19.44 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.149 -0.478 . . . . 74.43 111.085 179.935 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 9' ' ' ALA . . . . . . . . . . . . . . . -67.16 -39.63 86.54 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.227 -0.442 . . . . 75.54 111.114 179.905 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 10' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -76.09 -31.98 59.0 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.198 -0.456 . . . . 71.51 110.931 179.999 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' B' B ' 11' ' ' LEU . . . . . . . . . . . . . 60.9 mt -51.82 -47.5 64.29 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.234 -0.439 . . . . 74.25 110.882 179.861 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 12' ' ' PHE . . . . . . . . . . . . . 22.7 m-85 -74.08 -23.34 59.33 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.145 -0.48 . . . . 74.23 110.904 179.981 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 13' ' ' GLU . . . . . 0.675 ' HE2' ' HD3' ' B' ' 17' ' ' LYS . 4.1 tm-20 -61.01 -35.43 76.84 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.113 -0.494 . . . . 62.13 110.863 -179.935 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' B' B ' 14' ' ' GLU . . . . . . . . . . . . . 4.3 mt-10 -74.31 -30.93 62.28 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.169 -0.469 . . . . 74.21 110.885 -179.912 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 15' ' ' TRP . . . . . . . . . . . . . 19.8 m0 -60.19 -53.08 62.02 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.203 -0.453 . . . . 73.53 110.915 -179.984 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 16' ' ' LYS . . . . . . . . . . . . . 7.2 tttp -68.88 -29.06 67.27 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.201 -0.454 . . . . 75.33 110.938 179.917 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 17' ' ' LYS . . . . . 0.675 ' HD3' ' HE2' ' B' ' 13' ' ' GLU . 0.0 OUTLIER -68.2 -57.71 5.59 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.217 -0.447 . . . . 75.14 110.9 179.875 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' B' B ' 18' ' ' LEU . . . . . . . . . . . . . 3.6 mt -54.99 -44.94 74.93 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.214 -0.448 . . . . 72.1 110.918 179.93 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 19' ' ' ALA . . . . . . . . . . . . . . . -61.82 -34.44 75.95 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.175 -0.466 . . . . 73.03 111.137 179.774 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 20' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -57.83 -49.29 77.15 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.275 -0.421 . . . . 75.11 110.876 -179.989 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' B' B ' 21' ' ' GLU . . . . . . . . . . . . . 32.5 mt-10 -74.09 -48.97 26.1 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.191 -0.459 . . . . 74.54 110.811 -179.859 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 22' ' ' ALA . . . . . . . . . . . . . . . -56.33 -30.9 63.2 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.185 -0.461 . . . . 73.22 111.1 179.987 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 23' ' ' ALA . . . . . . . . . . . . . . . -71.08 -54.21 11.92 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.187 -0.461 . . . . 72.52 111.065 179.922 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 24' ' ' LYS . . . . . . . . . . . . . 5.2 ptpt -62.67 -35.02 78.33 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.289 -0.414 . . . . 75.25 110.877 -179.984 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 25' ' ' LEU . . . . . . . . . . . . . 6.7 mt -76.65 -39.02 53.57 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.185 -0.461 . . . . 75.04 110.901 179.971 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 26' ' ' LEU . . . . . . . . . . . . . 2.3 mt -50.43 -49.81 53.83 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.21 -0.45 . . . . 75.23 110.937 179.874 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 27' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -82.46 -12.32 57.92 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.128 -0.487 . . . . 71.35 110.905 179.9 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' B' B ' 28' ' ' GLY . . . . . . . . . . . . . . . 67.08 21.26 71.63 Favored Glycine 0 N--CA 1.451 -0.325 0 C-N-CA 120.754 -0.736 . . . . 75.51 112.504 -179.904 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 29' ' ' GLY . . . . . . . . . . . . . . . 71.35 21.15 78.59 Favored Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.735 -0.745 . . . . 60.31 112.512 -179.925 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 30' ' ' GLY . . . . . . . . . . . . . . . 143.26 -40.44 1.23 Allowed Glycine 0 N--CA 1.451 -0.32 0 C-N-CA 120.721 -0.752 . . . . 43.41 112.45 -179.902 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 31' ' ' GLY . . . . . . . . . . . . . . . -85.08 77.41 2.11 Favored Glycine 0 N--CA 1.452 -0.298 0 C-N-CA 120.75 -0.738 . . . . 70.14 112.441 -179.915 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 32' ' ' GLY . . . . . . . . . . . . . . . -173.71 -149.97 7.28 Favored Glycine 0 N--CA 1.452 -0.285 0 C-N-CA 120.75 -0.738 . . . . 73.0 112.458 -179.945 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 33' ' ' GLY . . . . . . . . . . . . . . . -65.67 -69.66 1.29 Allowed Glycine 0 N--CA 1.45 -0.375 0 C-N-CA 120.75 -0.738 . . . . 71.21 112.566 -179.997 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 34' ' ' GLY . . . . . . . . . . . . . . . 67.37 44.47 84.59 Favored Glycine 0 N--CA 1.45 -0.39 0 C-N-CA 120.739 -0.743 . . . . 74.55 112.496 -179.95 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 35' ' ' GLY . . . . . . . . . . . . . . . -137.83 -170.46 11.88 Favored Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.693 -0.765 . . . . 72.21 112.428 -179.924 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 36' ' ' GLU . . . . . . . . . . . . . 28.4 tt0 -54.86 -31.06 59.22 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-O 120.853 0.359 . . . . 73.4 110.865 -179.842 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 37' ' ' LEU . . . . . . . . . . . . . 1.7 pp -54.34 -31.22 53.93 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.157 -0.474 . . . . 72.14 110.953 -179.995 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 38' ' ' MET . . . . . . . . . . . . . 0.4 OUTLIER -70.7 -39.08 73.65 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.12 -0.491 . . . . 73.12 110.965 179.799 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' B' B ' 39' ' ' LYS . . . . . . . . . . . . . 26.0 ttmt -61.26 -28.12 68.95 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.192 -0.458 . . . . 75.44 110.899 179.908 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 40' ' ' LEU . . . . . . . . . . . . . 1.6 mt -58.82 -56.64 19.65 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.23 -0.441 . . . . 75.33 110.901 179.926 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 41' ' ' CYS . . . . . . . . . . . . . 29.0 p -73.54 -27.89 61.58 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.219 -0.446 . . . . 62.34 110.902 179.961 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 42' ' ' GLU . . . . . . . . . . . . . 30.0 tt0 -61.05 -25.94 67.28 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.116 -0.493 . . . . 74.22 110.917 -179.867 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 43' ' ' GLU . . . . . . . . . . . . . 2.3 mt-10 -56.91 -27.09 60.4 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.11 -0.495 . . . . 74.23 110.857 -179.877 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 44' ' ' ALA . . . . . . . . . . . . . . . -52.44 -44.02 65.24 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.135 -0.484 . . . . 73.01 111.082 179.938 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 45' ' ' ALA . . . . . . . . . . . . . . . -75.13 -24.34 57.99 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.222 -0.445 . . . . 74.24 111.056 -179.988 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 46' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -74.44 -48.93 24.56 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.177 -0.465 . . . . 75.14 110.853 179.967 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' B' B ' 47' ' ' LYS . . . . . . . . . . . . . 48.5 mmtt -70.13 -51.54 30.67 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.225 -0.443 . . . . 75.31 110.934 179.873 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 48' ' ' ALA . . . . . . . . . . . . . . . -51.93 -40.56 60.98 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.168 -0.469 . . . . 74.13 111.118 179.824 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 49' ' ' GLU . . . . . . . . . . . . . 1.7 tt0 -68.62 -34.35 75.6 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.194 -0.457 . . . . 63.4 110.93 -179.916 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 50' ' ' GLU . . . . . . . . . . . . . 1.3 tp10 -72.25 -50.96 23.25 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.099 -0.5 . . . . 71.03 110.879 -179.922 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 51' ' ' LEU . . . . . . . . . . . . . 1.2 pp -68.19 -24.06 64.91 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.165 -0.471 . . . . 71.33 110.917 -179.94 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 52' ' ' PHE . . . . . . . . . . . . . 11.3 t80 -53.99 -31.74 51.83 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.18 -0.463 . . . . 73.04 110.814 179.992 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 53' ' ' LYS . . . . . . . . . . . . . 1.1 mtpp -61.92 -33.0 73.45 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.174 -0.466 . . . . 74.44 110.804 179.992 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 54' ' ' LEU . . . . . . . . . . . . . 6.7 tp -55.21 -25.37 32.61 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.326 -0.397 . . . . 74.25 110.886 179.954 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 55' ' ' ALA . . . . . . . . . . . . . . . -54.87 -33.87 62.32 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.21 -0.45 . . . . 71.21 111.098 179.821 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 56' ' ' GLU . . . . . . . . . . . . . 44.3 mt-10 -66.42 -36.55 83.09 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.239 -0.437 . . . . 73.24 110.859 -179.922 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 57' ' ' GLU . . . . . . . . . . . . . 9.9 tt0 -59.84 -47.81 84.24 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.178 -0.465 . . . . 65.11 110.915 -179.953 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 58' ' ' ARG . . . . . . . . . . . . . 3.6 mpp_? -78.8 -29.31 44.81 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.193 -0.458 . . . . 71.31 110.823 -179.896 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 59' ' ' LEU . . . . . . . . . . . . . 47.5 tp -74.47 -67.08 0.66 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.205 -0.452 . . . . 74.35 110.899 -179.96 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 60' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -111.77 -75.98 0.6 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.205 -0.452 . . . . 72.33 110.831 179.907 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' B' B ' 61' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER 179.04 -33.81 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.134 -0.485 . . . . 75.02 110.917 179.918 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' B' B ' 62' ' ' LEU . . . . . . . . . . . . . 6.7 tt . . . . . 0 C--N 1.328 -0.335 0 CA-C-N 116.169 -0.469 . . . . 70.11 110.892 179.897 . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 6.9 pttt . . . . . 0 C--O 1.233 0.185 0 CA-C-O 120.869 0.366 . . . . 75.13 110.895 . . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 1.9 mtpt -157.17 49.48 0.45 Allowed 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.248 -0.433 . . . . 72.21 110.911 179.862 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 1.7 mm? 60.57 17.86 7.81 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.198 -0.455 . . . . 73.22 110.888 179.891 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 0.8 OUTLIER -72.84 -41.06 65.21 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.223 -0.444 . . . . 75.45 110.829 -179.982 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 21.5 tt0 -53.96 -30.66 47.76 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.188 -0.46 . . . . 74.21 110.866 -179.921 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -55.28 -50.24 70.04 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.113 -0.494 . . . . 64.03 110.85 -179.893 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -54.4 -27.98 40.42 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.127 -0.488 . . . . 74.35 111.116 179.953 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -74.03 -38.04 64.15 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.181 -0.463 . . . . 74.12 111.088 179.952 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 1.7 mtmt -70.89 -29.29 65.33 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.262 -0.426 . . . . 75.41 110.911 179.934 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 56.6 mt -51.65 -45.26 63.3 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.234 -0.439 . . . . 74.15 110.94 179.942 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 27.4 m-85 -74.23 -29.35 61.67 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.129 -0.487 . . . . 72.12 110.857 179.962 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -59.69 -36.5 76.63 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.131 -0.486 . . . . 74.13 110.935 -179.928 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 2.7 mt-10 -75.01 -33.85 61.85 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.123 -0.489 . . . . 75.52 110.931 179.99 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 15' ' ' TRP . . . . . . . . . . . . . 1.3 m0 -61.42 -45.96 92.14 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.15 -0.477 . . . . 74.35 110.872 -179.931 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -77.32 -27.57 52.9 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.247 -0.433 . . . . 72.3 110.841 179.969 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -71.58 -53.13 14.76 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.244 -0.435 . . . . 72.5 110.835 179.935 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 22.8 mt -54.79 -29.0 53.24 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.247 -0.433 . . . . 74.54 110.927 179.99 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -65.98 -34.88 79.11 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.142 -0.481 . . . . 75.2 111.154 179.754 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 3.3 tt0 -56.3 -49.31 74.66 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.185 -0.461 . . . . 72.25 110.86 -179.93 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 1.7 mm-40 -74.1 -51.52 15.46 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.204 -0.453 . . . . 70.23 110.846 -179.884 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -53.54 -30.64 42.75 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.136 -0.483 . . . . 72.31 111.113 179.952 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -70.8 -54.09 12.92 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.187 -0.46 . . . . 73.41 111.11 179.889 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -64.58 -33.42 75.89 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.242 -0.435 . . . . 75.21 110.9 179.978 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 4.8 mt -76.59 -40.35 49.78 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.224 -0.444 . . . . 73.14 110.932 179.88 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 2.9 mt -50.74 -49.92 56.77 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 116.205 -0.452 . . . . 73.14 110.975 179.88 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 11.9 mm-40 -93.32 12.51 24.44 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.152 -0.476 . . . . 73.12 110.872 179.858 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . -59.29 -14.6 27.09 Favored Glycine 0 N--CA 1.453 -0.227 0 C-N-CA 120.784 -0.722 . . . . 71.01 112.456 -179.945 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . 138.68 47.48 0.06 OUTLIER Glycine 0 N--CA 1.451 -0.342 0 C-N-CA 120.746 -0.74 . . . . 74.23 112.493 -179.894 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . -175.6 35.09 0.1 OUTLIER Glycine 0 N--CA 1.452 -0.286 0 C-N-CA 120.703 -0.76 . . . . 74.41 112.43 -179.893 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . -130.01 -120.07 2.2 Favored Glycine 0 N--CA 1.452 -0.289 0 C-N-CA 120.683 -0.77 . . . . 73.53 112.478 -179.961 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . -109.51 -61.54 0.52 Allowed Glycine 0 N--CA 1.451 -0.347 0 C-N-CA 120.713 -0.756 . . . . 72.24 112.511 -179.932 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . 151.85 -60.43 0.41 Allowed Glycine 0 N--CA 1.451 -0.343 0 C-N-CA 120.718 -0.753 . . . . 62.11 112.452 -179.944 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 176.32 82.86 0.06 OUTLIER Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 120.768 -0.73 . . . . 74.52 112.463 -179.954 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . -144.1 -154.24 6.08 Favored Glycine 0 N--CA 1.451 -0.341 0 C-N-CA 120.707 -0.758 . . . . 72.03 112.491 -179.947 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 1.5 pt-20 -73.49 -12.69 60.87 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-O 120.8 0.333 . . . . 64.24 110.895 -179.914 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 4.8 tp -51.46 -55.16 20.33 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.188 -0.46 . . . . 75.03 110.95 -179.95 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 38' ' ' MET . . . . . . . . . . . . . 33.1 tpp -68.7 -34.42 75.62 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.203 -0.453 . . . . 74.14 110.874 179.787 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -55.23 -28.68 54.92 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.242 -0.435 . . . . 73.34 110.943 179.937 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 4.7 mt -68.69 -57.13 6.11 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.177 -0.465 . . . . 74.41 110.892 179.941 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 41' ' ' CYS . . . . . . . . . . . . . 17.8 p -67.68 -24.4 65.41 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.201 -0.454 . . . . 74.44 110.874 179.962 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 1.7 mt-10 -55.87 -25.13 40.93 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.201 -0.454 . . . . 72.55 110.903 -179.956 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 12.2 mm-40 -54.28 -28.31 41.09 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.2 -0.455 . . . . 74.42 110.852 -179.975 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -51.51 -43.5 62.27 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.18 -0.463 . . . . 53.45 111.126 179.929 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -75.04 -22.84 58.15 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.155 -0.475 . . . . 73.23 111.128 179.928 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -77.75 -51.03 11.2 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.212 -0.449 . . . . 73.1 110.925 179.917 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -69.03 -53.41 20.62 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.23 -0.441 . . . . 70.24 110.926 179.837 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -51.96 -29.67 21.48 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.216 -0.447 . . . . 75.25 111.09 179.897 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 2.0 tt0 -71.26 -44.45 65.26 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.185 -0.461 . . . . 73.43 110.895 -179.961 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 27.1 tp10 -74.0 -33.43 63.8 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.118 -0.492 . . . . 63.3 110.914 -179.945 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 2.4 mt -71.23 -38.2 71.98 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.145 -0.479 . . . . 72.12 110.886 -179.945 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 52' ' ' PHE . . . . . . . . . . . . . 43.1 t80 -53.86 -30.92 47.74 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.253 -0.43 . . . . 63.34 110.857 179.973 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 1.6 mptt -75.61 -39.82 57.35 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.136 -0.483 . . . . 75.03 110.9 179.931 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 54' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -59.54 -25.07 64.22 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.199 -0.455 . . . . 75.42 110.927 179.94 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -68.4 -30.44 69.35 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.152 -0.476 . . . . 72.41 111.099 179.785 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 39.6 tt0 -52.83 -34.34 53.5 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.226 -0.443 . . . . 73.44 110.855 -179.908 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 2.3 tt0 -65.81 -43.0 89.95 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.193 -0.458 . . . . 74.24 110.901 -179.973 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 2.5 mpt_? -77.75 -25.66 49.33 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.126 -0.488 . . . . 75.44 110.907 -179.929 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 59' ' ' LEU . . . . . . . . . . . . . 1.5 tp -85.43 -73.65 0.43 Allowed 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.214 -0.448 . . . . 72.41 110.937 179.999 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -105.57 -175.55 2.83 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.188 -0.46 . . . . 75.25 110.888 179.782 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 5.5 mttt -102.0 29.49 5.01 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.187 -0.46 . . . . 74.51 110.93 179.864 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 3.4 mp . . . . . 0 C--N 1.329 -0.291 0 CA-C-N 116.259 -0.428 . . . . 74.54 110.975 179.942 . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' B' B ' 1' ' ' MET . . . . . . . . . . . . . 6.2 mtm . . . . . 0 C--O 1.231 0.116 0 CA-C-O 120.856 0.36 . . . . 75.53 110.816 . . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' B' B ' 2' ' ' LYS . . . . . . . . . . . . . 6.8 pttt -122.3 171.07 9.31 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.18 -0.463 . . . . 75.53 110.922 179.916 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 3' ' ' LYS . . . . . . . . . . . . . 1.7 mtpt -158.01 50.86 0.42 Allowed 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.253 -0.43 . . . . 74.53 110.925 179.809 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 4' ' ' LEU . . . . . . . . . . . . . 1.8 mm? 60.47 18.14 7.93 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.212 -0.449 . . . . 75.53 110.958 179.977 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 5' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER -73.11 -38.44 66.34 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.195 -0.457 . . . . 64.44 110.899 179.939 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' B' B ' 6' ' ' GLU . . . . . . . . . . . . . 20.3 tt0 -53.78 -28.39 34.56 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.22 -0.445 . . . . 72.5 110.89 -179.979 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 7' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -53.15 -50.97 63.46 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.123 -0.489 . . . . 74.23 110.924 -179.958 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' B' B ' 8' ' ' ALA . . . . . . . . . . . . . . . -52.51 -27.36 16.1 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.196 -0.456 . . . . 74.51 111.062 179.957 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 9' ' ' ALA . . . . . . . . . . . . . . . -74.26 -37.81 63.64 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.268 -0.424 . . . . 72.12 111.111 179.933 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 10' ' ' LYS . . . . . . . . . . . . . 1.7 mtmt -70.88 -34.97 72.13 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.238 -0.437 . . . . 74.31 110.918 179.973 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 11' ' ' LEU . . . . . . . . . . . . . 49.6 mt -51.86 -44.4 63.66 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.239 -0.437 . . . . 72.14 110.958 179.862 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 12' ' ' PHE . . . . . . . . . . . . . 27.4 m-85 -74.14 -24.97 59.5 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.275 -0.421 . . . . 74.22 110.882 179.917 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 13' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -53.85 -27.81 32.06 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.174 -0.466 . . . . 75.41 110.904 -179.938 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' B' B ' 14' ' ' GLU . . . . . . . . . . . . . 2.7 mt-10 -68.16 -38.21 81.84 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.133 -0.485 . . . . 74.32 110.881 -179.93 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 15' ' ' TRP . . . . . . . . . . . . . 5.2 t90 -64.7 -42.42 95.31 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.174 -0.466 . . . . 75.44 110.909 179.999 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 16' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -77.51 -29.01 52.25 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.276 -0.42 . . . . 70.32 110.92 179.892 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' B' B ' 17' ' ' LYS . . . . . . . . . . . . . 1.1 mmtp -75.05 -55.53 5.65 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.271 -0.422 . . . . 72.42 110.888 179.852 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 18' ' ' LEU . . . . . . . . . . . . . 22.7 mt -54.4 -26.95 33.41 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.163 -0.471 . . . . 70.53 110.942 179.927 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 19' ' ' ALA . . . . . . . . . . . . . . . -64.23 -39.43 93.96 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.161 -0.472 . . . . 72.53 111.098 179.792 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 20' ' ' GLU . . . . . . . . . . . . . 3.3 tt0 -56.41 -49.65 73.9 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.262 -0.426 . . . . 72.03 110.837 -179.924 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 21' ' ' GLU . . . . . . . . . . . . . 1.7 mm-40 -74.13 -51.52 15.36 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.16 -0.473 . . . . 75.14 110.863 -179.904 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 22' ' ' ALA . . . . . . . . . . . . . . . -53.34 -30.66 40.54 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.221 -0.445 . . . . 71.44 111.126 179.933 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 23' ' ' ALA . . . . . . . . . . . . . . . -70.78 -54.11 12.9 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.225 -0.443 . . . . 75.12 111.076 179.916 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 24' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -64.67 -33.49 76.06 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.277 -0.42 . . . . 74.12 110.898 179.989 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' B' B ' 25' ' ' LEU . . . . . . . . . . . . . 4.7 mt -76.46 -40.3 50.84 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.223 -0.444 . . . . 74.24 110.889 179.927 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 26' ' ' LEU . . . . . . . . . . . . . 2.8 mt -50.75 -50.28 56.06 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.208 -0.451 . . . . 74.24 110.96 179.916 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 27' ' ' GLU . . . . . . . . . . . . . 12.1 mm-40 -94.49 12.44 27.3 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.197 -0.456 . . . . 75.21 110.88 179.927 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 28' ' ' GLY . . . . . . . . . . . . . . . -59.22 -14.77 27.43 Favored Glycine 0 N--CA 1.452 -0.278 0 C-N-CA 120.757 -0.735 . . . . 65.33 112.41 -179.908 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 29' ' ' GLY . . . . . . . . . . . . . . . 136.54 47.11 0.08 OUTLIER Glycine 0 N--CA 1.451 -0.346 0 C-N-CA 120.733 -0.746 . . . . 63.01 112.455 -179.88 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 30' ' ' GLY . . . . . . . . . . . . . . . -176.46 36.67 0.09 OUTLIER Glycine 0 N--CA 1.451 -0.302 0 C-N-CA 120.739 -0.743 . . . . 50.31 112.474 -179.91 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 31' ' ' GLY . . . . . . . . . . . . . . . -129.0 -122.66 2.48 Favored Glycine 0 N--CA 1.45 -0.412 0 C-N-CA 120.731 -0.747 . . . . 71.03 112.502 -179.941 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 32' ' ' GLY . . . . . . . . . . . . . . . -111.62 -61.4 0.47 Allowed Glycine 0 N--CA 1.451 -0.334 0 C-N-CA 120.786 -0.721 . . . . 64.43 112.518 -179.884 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 33' ' ' GLY . . . . . . . . . . . . . . . 151.84 -58.22 0.43 Allowed Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 120.712 -0.756 . . . . 72.03 112.477 -179.886 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 34' ' ' GLY . . . . . . . . . . . . . . . 178.27 81.3 0.06 OUTLIER Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 120.732 -0.747 . . . . 53.51 112.474 -179.906 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 35' ' ' GLY . . . . . . . . . . . . . . . -144.99 -153.55 5.89 Favored Glycine 0 N--CA 1.452 -0.299 0 C-N-CA 120.694 -0.765 . . . . 70.33 112.525 -179.937 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 36' ' ' GLU . . . . . . . . . . . . . 1.5 pt-20 -73.81 -12.88 60.83 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 120.884 0.373 . . . . 52.24 110.873 -179.875 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 37' ' ' LEU . . . . . . . . . . . . . 4.6 tp -51.38 -55.86 16.29 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.185 -0.461 . . . . 75.15 110.929 -179.992 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 38' ' ' MET . . . . . . . . . . . . . 33.5 tpp -69.21 -34.25 74.6 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.206 -0.452 . . . . 75.12 110.843 179.848 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 39' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -54.17 -29.31 45.15 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.27 -0.423 . . . . 74.03 110.875 179.953 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' B' B ' 40' ' ' LEU . . . . . . . . . . . . . 5.1 mt -66.56 -59.17 3.87 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.231 -0.44 . . . . 71.32 110.899 179.955 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 41' ' ' CYS . . . . . . . . . . . . . 18.2 p -67.05 -25.36 66.22 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.141 -0.482 . . . . 72.22 110.987 179.869 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 42' ' ' GLU . . . . . . . . . . . . . 1.7 mt-10 -57.22 -25.48 59.16 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.125 -0.489 . . . . 75.5 110.89 -179.914 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 43' ' ' GLU . . . . . . . . . . . . . 12.3 mm-40 -54.6 -27.43 39.26 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.142 -0.481 . . . . 64.23 110.893 -179.935 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 44' ' ' ALA . . . . . . . . . . . . . . . -51.71 -45.76 63.69 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.107 -0.497 . . . . 74.11 111.157 179.887 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 45' ' ' ALA . . . . . . . . . . . . . . . -72.99 -22.91 60.6 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.175 -0.466 . . . . 65.21 111.109 179.895 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 46' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -76.89 -51.05 11.93 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.227 -0.442 . . . . 72.12 110.893 179.965 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' B' B ' 47' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -70.71 -53.89 13.92 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.276 -0.42 . . . . 72.32 110.897 179.888 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' B' B ' 48' ' ' ALA . . . . . . . . . . . . . . . -51.89 -29.8 21.42 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.234 -0.439 . . . . 64.45 111.117 179.859 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 49' ' ' GLU . . . . . . . . . . . . . 2.0 tt0 -70.96 -44.39 66.14 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.18 -0.464 . . . . 75.24 110.87 -179.94 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 50' ' ' GLU . . . . . . . . . . . . . 27.1 tp10 -74.0 -35.02 64.39 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.147 -0.479 . . . . 75.25 110.975 -179.979 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 51' ' ' LEU . . . . . . . . . . . . . 2.5 mt -73.13 -45.62 55.77 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.088 -0.506 . . . . 71.31 110.921 -179.972 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 52' ' ' PHE . . . . . . . . . . . . . 42.8 t80 -53.84 -34.83 60.46 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.169 -0.469 . . . . 72.22 110.934 179.924 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 53' ' ' LYS . . . . . . . . . . . . . 1.7 mptt -76.2 -35.3 59.15 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.067 -0.515 . . . . 74.25 110.915 179.937 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 54' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -54.6 -27.89 42.46 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.248 -0.433 . . . . 73.31 110.934 179.907 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' B' B ' 55' ' ' ALA . . . . . . . . . . . . . . . -73.13 -35.83 66.59 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.081 -0.509 . . . . 72.21 111.09 179.814 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 56' ' ' GLU . . . . . . . . . . . . . 39.5 tt0 -52.59 -34.26 49.94 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.209 -0.451 . . . . 74.35 110.91 -179.973 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 57' ' ' GLU . . . . . . . . . . . . . 2.3 tt0 -66.11 -40.31 90.63 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 116.137 -0.483 . . . . 71.32 110.882 -179.878 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 58' ' ' ARG . . . . . . . . . . . . . 2.4 mpt_? -78.42 -28.29 46.78 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.137 -0.483 . . . . 73.43 110.894 -179.954 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 59' ' ' LEU . . . . . . . . . . . . . 1.4 tm? -84.19 -69.95 0.61 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.182 -0.463 . . . . 73.33 110.874 -179.924 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 60' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -109.52 -175.05 2.65 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.204 -0.453 . . . . 75.21 110.975 179.815 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' B' B ' 61' ' ' LYS . . . . . . . . . . . . . 5.5 mttt -101.94 31.12 4.04 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.276 -0.42 . . . . 61.21 110.921 179.898 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 62' ' ' LEU . . . . . . . . . . . . . 3.4 mp . . . . . 0 C--N 1.329 -0.323 0 CA-C-N 116.161 -0.472 . . . . 73.22 110.926 179.996 . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.232 0.135 0 CA-C-O 120.732 0.301 . . . . 73.13 110.921 . . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 9.6 mttt -179.33 -38.48 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.249 -0.432 . . . . 73.25 110.91 179.839 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 4.5 mm? -90.4 -35.71 15.02 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.261 -0.427 . . . . 61.42 110.931 179.879 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 3.8 mtt-85 -68.21 -37.93 81.38 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.146 -0.479 . . . . 75.34 110.9 179.962 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -53.76 -31.82 50.02 Favored 'General case' 0 C--N 1.331 -0.207 0 CA-C-N 116.152 -0.476 . . . . 70.12 110.898 -179.884 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 45.4 mm-40 -54.0 -42.85 69.52 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.103 -0.499 . . . . 72.43 110.894 -179.926 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -71.84 -26.71 62.48 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.163 -0.471 . . . . 65.51 111.11 179.914 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -55.71 -49.19 73.7 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.256 -0.429 . . . . 73.31 111.118 179.897 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 20.8 mtpt -55.79 -38.92 70.56 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.173 -0.467 . . . . 71.53 110.913 179.963 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 44.0 mt -51.71 -41.95 61.88 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.192 -0.458 . . . . 75.13 110.913 179.944 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 22.2 m-85 -74.26 -26.16 60.05 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.156 -0.475 . . . . 65.15 110.853 179.917 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -58.37 -41.66 85.26 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.201 -0.454 . . . . 71.12 110.933 -179.947 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 7.1 mt-10 -75.14 -27.57 59.82 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.059 -0.518 . . . . 74.24 110.923 -179.97 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 15' ' ' TRP . . . . . . . . . . . . . 1.2 m0 -60.67 -48.54 81.32 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.183 -0.462 . . . . 73.14 110.942 -179.968 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 16.0 ptmt -77.02 -28.04 54.81 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.247 -0.433 . . . . 74.44 110.939 179.909 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 8.0 ttmm -69.83 -51.81 30.38 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.166 -0.47 . . . . 74.5 110.953 179.81 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 12.0 mt -54.81 -35.94 64.42 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.227 -0.442 . . . . 75.01 110.972 179.885 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -66.77 -23.37 66.07 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.19 -0.459 . . . . 63.32 111.082 179.8 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 2.1 tp10 -73.02 -49.37 29.21 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.225 -0.443 . . . . 72.24 110.952 179.998 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 21.3 mt-10 -72.3 -51.0 22.79 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.1 -0.5 . . . . 74.11 110.925 -179.945 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -54.67 -30.6 55.93 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.142 -0.481 . . . . 63.33 111.132 179.93 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -71.04 -54.33 11.54 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.239 -0.437 . . . . 64.13 111.094 179.87 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 6.3 ptmt -63.48 -34.29 77.45 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.232 -0.44 . . . . 75.44 110.859 -179.972 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 6.0 mt -76.75 -39.11 52.83 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.238 -0.437 . . . . 74.52 110.88 179.939 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 2.2 mt -50.75 -49.9 56.91 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.254 -0.43 . . . . 75.12 110.927 179.842 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -90.63 12.2 19.68 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.178 -0.465 . . . . 74.05 110.922 179.9 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . -58.89 -14.72 24.77 Favored Glycine 0 N--CA 1.451 -0.307 0 C-N-CA 120.738 -0.744 . . . . 75.32 112.501 -179.954 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . 140.07 48.24 0.06 OUTLIER Glycine 0 N--CA 1.451 -0.344 0 C-N-CA 120.72 -0.752 . . . . 73.1 112.462 -179.92 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . -79.59 -43.28 10.4 Favored Glycine 0 N--CA 1.451 -0.316 0 C-N-CA 120.767 -0.73 . . . . 54.25 112.485 -179.919 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . 98.52 127.97 5.99 Favored Glycine 0 N--CA 1.452 -0.267 0 C-N-CA 120.703 -0.761 . . . . 55.4 112.461 -179.902 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . 153.57 -129.9 2.81 Favored Glycine 0 N--CA 1.452 -0.293 0 C-N-CA 120.756 -0.735 . . . . 63.43 112.486 -179.979 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . 167.94 72.3 0.03 OUTLIER Glycine 0 N--CA 1.45 -0.39 0 C-N-CA 120.676 -0.773 . . . . 73.2 112.491 -179.919 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . -120.54 89.49 0.45 Allowed Glycine 0 N--CA 1.452 -0.267 0 C-N-CA 120.74 -0.743 . . . . 72.11 112.493 -179.892 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . -52.59 -81.72 0.05 OUTLIER Glycine 0 N--CA 1.452 -0.29 0 C-N-CA 120.681 -0.771 . . . . 74.43 112.498 -179.923 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 28.2 tt0 -63.11 -21.49 66.22 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.857 0.361 . . . . 74.11 110.896 -179.882 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 16.1 tp -50.9 -36.14 36.66 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.128 -0.487 . . . . 72.03 110.911 179.952 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 38' ' ' MET . . . . . . . . . . . . . 1.0 OUTLIER -72.65 -35.02 67.65 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.219 -0.446 . . . . 71.45 110.827 179.889 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 2.2 tttt -58.5 -28.0 65.0 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.189 -0.46 . . . . 74.12 110.909 179.96 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 2.8 mt -59.95 -61.14 2.83 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.234 -0.439 . . . . 74.1 110.9 179.913 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 41' ' ' CYS . . . . . . . . . . . . . 28.1 p -69.06 -31.3 69.97 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.198 -0.456 . . . . 74.12 110.843 179.974 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 11.2 tt0 -55.93 -25.48 43.41 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.236 -0.438 . . . . 73.42 110.891 -179.874 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 2.5 mm-40 -54.54 -29.3 50.44 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.182 -0.463 . . . . 75.12 110.877 -179.906 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -51.75 -43.79 63.08 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.164 -0.471 . . . . 71.44 111.134 179.927 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -75.09 -23.1 57.94 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.205 -0.452 . . . . 73.34 111.094 179.898 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -77.02 -50.36 13.29 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.256 -0.429 . . . . 74.41 110.974 179.924 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 9.4 mmtm -69.36 -46.86 65.96 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.18 -0.464 . . . . 53.42 110.874 179.869 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -51.97 -47.11 64.98 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.258 -0.428 . . . . 73.45 111.186 179.755 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -77.14 -32.46 56.38 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.119 -0.491 . . . . 73.41 110.902 -179.932 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 1.1 mm-40 -62.69 -51.12 68.44 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.176 -0.466 . . . . 75.11 110.944 -179.98 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 3.9 pp -72.2 -39.88 68.28 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.143 -0.48 . . . . 74.22 110.968 179.993 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 52' ' ' PHE . . . . . . . . . . . . . 76.6 t80 -62.49 -24.14 67.31 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.18 -0.464 . . . . 72.45 110.893 179.96 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 2.0 tptm -63.8 -59.38 4.63 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.162 -0.472 . . . . 74.34 110.853 179.942 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 54' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -75.73 -32.72 60.15 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.242 -0.436 . . . . 74.45 110.882 179.956 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -52.78 -41.08 63.78 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.202 -0.454 . . . . 70.35 111.053 179.795 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 8.8 pt-20 -54.72 -26.75 35.86 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.238 -0.437 . . . . 75.34 110.869 -179.871 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 6.0 tt0 -66.25 -55.36 16.5 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.132 -0.485 . . . . 72.31 110.966 -179.992 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -78.21 -14.27 59.52 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.11 -0.496 . . . . 75.43 110.871 -179.917 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 59' ' ' LEU . . . . . . . . . . . . . 68.0 mt -87.31 -66.33 0.92 Allowed 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.239 -0.437 . . . . 72.43 110.979 179.976 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -124.45 -81.2 0.63 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.165 -0.47 . . . . 74.21 110.973 179.772 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER 177.03 -57.56 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.239 -0.437 . . . . 75.13 110.89 179.822 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 C--N 1.328 -0.36 0 CA-C-N 116.235 -0.439 . . . . 74.41 110.933 179.949 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 1' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.232 0.158 0 CA-C-O 120.811 0.339 . . . . 75.13 110.919 . . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 2' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -164.93 152.21 11.11 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.232 -0.44 . . . . 75.11 110.921 179.953 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' B' B ' 3' ' ' LYS . . . . . . . . . . . . . 9.5 mttt -179.27 -38.29 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.254 -0.43 . . . . 74.51 110.933 179.86 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 4' ' ' LEU . . . . . . . . . . . . . 4.5 mm? -90.16 -36.18 14.96 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.31 -0.405 . . . . 75.33 110.995 179.838 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 5' ' ' ARG . . . . . . . . . . . . . 3.6 mtt-85 -68.84 -38.69 80.0 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.138 -0.483 . . . . 74.54 110.879 179.9 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 6' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -53.88 -32.37 53.0 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.239 -0.437 . . . . 73.31 110.874 -179.918 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' B' B ' 7' ' ' GLU . . . . . . . . . . . . . 45.8 mm-40 -54.73 -42.78 71.97 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.141 -0.482 . . . . 74.2 110.867 -179.938 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 8' ' ' ALA . . . . . . . . . . . . . . . -70.41 -26.95 63.92 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.098 -0.501 . . . . 75.22 111.049 -179.996 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 9' ' ' ALA . . . . . . . . . . . . . . . -57.8 -47.37 82.79 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.181 -0.463 . . . . 74.02 111.041 179.976 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 10' ' ' LYS . . . . . . . . . . . . . 21.1 mtpt -55.88 -37.32 68.68 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.267 -0.424 . . . . 72.03 110.929 179.958 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 11' ' ' LEU . . . . . . . . . . . . . 47.2 mt -51.8 -42.63 62.63 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.179 -0.464 . . . . 72.05 110.933 179.952 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 12' ' ' PHE . . . . . . . . . . . . . 23.2 m-85 -74.22 -25.61 59.77 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.19 -0.459 . . . . 72.42 110.9 179.897 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 13' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -53.87 -31.85 51.17 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.179 -0.464 . . . . 74.51 110.925 -179.931 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' B' B ' 14' ' ' GLU . . . . . . . . . . . . . 7.0 mt-10 -67.19 -31.44 71.83 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.122 -0.49 . . . . 73.45 110.862 -179.93 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 15' ' ' TRP . . . . . . . . . . . . . 4.0 t90 -67.63 -47.0 70.86 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.141 -0.481 . . . . 73.43 110.942 -179.938 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 16' ' ' LYS . . . . . . . . . . . . . 16.1 ptmt -77.39 -30.02 53.46 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.181 -0.463 . . . . 74.41 110.845 179.964 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 17' ' ' LYS . . . . . . . . . . . . . 8.2 ttmm -74.36 -54.93 6.63 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.22 -0.445 . . . . 74.34 110.979 179.819 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 18' ' ' LEU . . . . . . . . . . . . . 18.4 mt -54.65 -36.57 64.7 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.224 -0.444 . . . . 71.41 110.897 179.921 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 19' ' ' ALA . . . . . . . . . . . . . . . -67.02 -26.86 66.99 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.174 -0.466 . . . . 63.21 111.085 179.812 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 20' ' ' GLU . . . . . . . . . . . . . 2.1 tp10 -73.47 -49.47 26.64 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.29 -0.414 . . . . 71.31 110.902 -179.97 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 21' ' ' GLU . . . . . . . . . . . . . 21.3 mt-10 -72.64 -51.13 20.8 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.161 -0.472 . . . . 74.32 110.873 -179.886 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 22' ' ' ALA . . . . . . . . . . . . . . . -54.17 -30.79 50.71 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.141 -0.482 . . . . 74.35 111.106 179.914 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 23' ' ' ALA . . . . . . . . . . . . . . . -70.96 -54.39 11.49 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.161 -0.472 . . . . 74.43 111.128 179.949 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 24' ' ' LYS . . . . . . . . . . . . . 6.3 ptmt -63.64 -34.14 77.17 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.178 -0.465 . . . . 75.03 110.96 179.938 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 25' ' ' LEU . . . . . . . . . . . . . 5.7 mt -76.56 -39.67 52.07 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.229 -0.441 . . . . 72.54 110.903 179.933 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 26' ' ' LEU . . . . . . . . . . . . . 2.1 mt -50.65 -49.91 55.88 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.222 -0.444 . . . . 72.32 110.929 179.874 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 27' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -90.86 12.32 19.78 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.181 -0.463 . . . . 73.13 110.865 179.91 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' B' B ' 28' ' ' GLY . . . . . . . . . . . . . . . -58.82 -15.09 25.89 Favored Glycine 0 N--CA 1.451 -0.309 0 C-N-CA 120.746 -0.74 . . . . 73.3 112.469 -179.976 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 29' ' ' GLY . . . . . . . . . . . . . . . 136.59 46.08 0.08 OUTLIER Glycine 0 N--CA 1.452 -0.28 0 C-N-CA 120.777 -0.725 . . . . 61.15 112.476 -179.892 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 30' ' ' GLY . . . . . . . . . . . . . . . -83.25 -42.82 7.78 Favored Glycine 0 N--CA 1.452 -0.271 0 C-N-CA 120.75 -0.738 . . . . 64.42 112.43 -179.905 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 31' ' ' GLY . . . . . . . . . . . . . . . 97.99 123.78 4.81 Favored Glycine 0 N--CA 1.452 -0.284 0 C-N-CA 120.766 -0.731 . . . . 75.24 112.529 -179.859 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 32' ' ' GLY . . . . . . . . . . . . . . . 147.08 -110.97 0.54 Allowed Glycine 0 N--CA 1.452 -0.27 0 C-N-CA 120.7 -0.762 . . . . 65.21 112.46 -179.898 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 33' ' ' GLY . . . . . . . . . . . . . . . -166.22 97.22 0.14 Allowed Glycine 0 N--CA 1.451 -0.359 0 C-N-CA 120.704 -0.76 . . . . 53.05 112.498 -179.886 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 34' ' ' GLY . . . . . . . . . . . . . . . -90.27 44.97 2.96 Favored Glycine 0 N--CA 1.452 -0.273 0 C-N-CA 120.726 -0.749 . . . . 74.35 112.523 -179.907 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 35' ' ' GLY . . . . . . . . . . . . . . . -79.18 -102.91 0.23 Allowed Glycine 0 N--CA 1.451 -0.337 0 C-N-CA 120.712 -0.756 . . . . 73.45 112.468 -179.845 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 36' ' ' GLU . . . . . . . . . . . . . 30.4 tt0 -75.73 -24.42 56.14 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 120.901 0.381 . . . . 75.34 110.896 -179.882 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 37' ' ' LEU . . . . . . . . . . . . . 14.6 tp -59.71 -36.67 77.01 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.092 -0.503 . . . . 74.21 110.921 -179.982 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 38' ' ' MET . . . . . . . . . . . . . 1.3 ttm -68.34 -30.0 68.87 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.141 -0.481 . . . . 72.14 110.866 179.857 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 39' ' ' LYS . . . . . . . . . . . . . 2.4 tttt -54.34 -29.33 47.71 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.285 -0.416 . . . . 75.32 110.916 179.926 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 40' ' ' LEU . . . . . . . . . . . . . 2.5 mt -62.08 -60.97 2.83 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.189 -0.46 . . . . 74.53 110.91 179.93 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 41' ' ' CYS . . . . . . . . . . . . . 28.7 p -69.35 -29.36 67.15 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.198 -0.456 . . . . 75.12 110.869 179.917 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 42' ' ' GLU . . . . . . . . . . . . . 11.3 tt0 -56.15 -25.83 47.99 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.18 -0.463 . . . . 72.13 110.807 -179.797 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 43' ' ' GLU . . . . . . . . . . . . . 2.5 mm-40 -54.81 -28.99 53.5 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.193 -0.458 . . . . 62.32 110.842 -179.862 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 44' ' ' ALA . . . . . . . . . . . . . . . -51.85 -45.73 64.14 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.143 -0.48 . . . . 62.35 111.098 179.909 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 45' ' ' ALA . . . . . . . . . . . . . . . -75.13 -22.9 57.87 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.209 -0.451 . . . . 75.02 111.104 179.955 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 46' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -75.33 -49.54 18.81 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.229 -0.441 . . . . 74.32 110.905 179.946 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' B' B ' 47' ' ' LYS . . . . . . . . . . . . . 9.4 mmtm -72.67 -46.33 54.37 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.235 -0.438 . . . . 64.51 110.912 179.858 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 48' ' ' ALA . . . . . . . . . . . . . . . -51.96 -46.18 64.67 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.233 -0.44 . . . . 74.2 111.08 179.839 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 49' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -75.88 -29.7 58.58 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.194 -0.457 . . . . 75.22 110.857 -179.933 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' B' B ' 50' ' ' GLU . . . . . . . . . . . . . 1.1 mm-40 -63.25 -51.24 67.0 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.196 -0.456 . . . . 73.42 110.883 -179.895 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 51' ' ' LEU . . . . . . . . . . . . . 3.8 pp -73.27 -38.97 65.76 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.154 -0.475 . . . . 53.52 110.89 -179.967 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 52' ' ' PHE . . . . . . . . . . . . . 75.8 t80 -62.95 -24.06 67.69 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.977 0.418 . . . . 72.52 110.893 179.923 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 53' ' ' LYS . . . . . . . . . . . . . 2.0 tptm -62.24 -59.17 5.42 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.155 -0.475 . . . . 72.1 110.896 179.915 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 54' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -75.26 -37.55 60.9 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.225 -0.443 . . . . 74.43 110.928 179.933 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' B' B ' 55' ' ' ALA . . . . . . . . . . . . . . . -56.97 -38.93 73.68 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.192 -0.458 . . . . 64.14 111.038 179.828 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 56' ' ' GLU . . . . . . . . . . . . . 16.3 tt0 -56.82 -24.88 54.16 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.229 -0.441 . . . . 61.3 110.912 -179.934 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 57' ' ' GLU . . . . . . . . . . . . . 6.4 tt0 -66.83 -54.32 23.66 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.109 -0.496 . . . . 73.21 110.904 -179.969 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 58' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -77.29 -18.5 57.48 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.135 -0.484 . . . . 75.34 110.842 -179.897 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' B' B ' 59' ' ' LEU . . . . . . . . . . . . . 62.7 mt -82.41 -50.98 8.28 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.266 -0.425 . . . . 72.24 110.905 -179.987 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 60' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -110.18 -65.8 1.12 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.136 -0.484 . . . . 74.13 110.885 179.839 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' B' B ' 61' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -179.56 -69.21 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.279 -0.419 . . . . 73.1 110.916 179.859 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' B' B ' 62' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 C--N 1.329 -0.316 0 CA-C-N 116.195 -0.457 . . . . 73.44 110.885 179.929 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 C--O 1.231 0.114 0 CA-C-O 120.931 0.396 . . . . 72.22 110.834 . . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -143.52 -70.37 0.31 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.225 -0.443 . . . . 73.43 110.943 179.836 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 1.6 pt? -135.77 8.15 3.28 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.212 -0.449 . . . . 72.12 110.901 179.905 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -72.01 -33.97 68.49 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.18 -0.464 . . . . 74.25 110.901 179.967 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 18.0 pt-20 -55.25 -26.02 37.17 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.18 -0.463 . . . . 73.21 110.877 -179.948 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 2.0 pp20? -53.47 -31.5 46.0 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.096 -0.502 . . . . 71.13 110.931 -179.888 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -72.45 -28.42 62.92 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.127 -0.488 . . . . 74.14 111.049 179.897 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -71.57 -41.57 68.86 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.324 -0.398 . . . . 71.22 111.102 179.923 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -58.08 -35.68 71.73 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.232 -0.44 . . . . 74.5 110.891 179.962 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 41.6 mt -51.97 -44.11 63.85 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.199 -0.455 . . . . 73.34 110.901 179.945 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 22.4 m-85 -74.03 -22.14 59.68 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.208 -0.451 . . . . 73.15 110.854 179.913 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 5.1 tt0 -61.61 -41.26 97.21 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.157 -0.474 . . . . 63.53 110.88 -179.936 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 4.6 mt-10 -75.51 -30.46 59.81 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.109 -0.496 . . . . 72.2 110.934 -179.918 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 15' ' ' TRP . . . . . . . . . . . . . 21.3 m0 -54.01 -56.11 21.02 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.105 -0.498 . . . . 74.32 110.9 -179.973 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 8.3 ptmt -68.47 -41.36 80.28 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.3 -0.409 . . . . 70.51 110.94 179.918 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -54.95 -52.07 64.17 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.215 -0.448 . . . . 74.13 110.87 179.874 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 5.6 mt -59.99 -35.13 74.35 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.266 -0.425 . . . . 73.45 110.953 179.937 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -73.15 -30.24 63.44 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.136 -0.484 . . . . 74.52 111.055 179.82 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 1.4 mm-40 -58.1 -49.48 76.8 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.211 -0.45 . . . . 64.22 110.896 -179.899 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 1.3 mm-40 -74.23 -48.54 28.12 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.165 -0.471 . . . . 62.32 110.823 -179.898 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -56.71 -30.58 63.64 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.178 -0.464 . . . . 75.53 111.136 179.93 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -70.77 -54.41 11.79 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.217 -0.447 . . . . 74.01 111.086 179.978 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 4.2 ptmt -62.49 -35.55 79.7 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.228 -0.442 . . . . 75.1 110.861 -179.988 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 7.2 mt -76.89 -36.71 56.5 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.206 -0.452 . . . . 73.53 110.834 179.988 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -50.24 -55.32 15.79 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.258 -0.428 . . . . 74.21 110.85 179.946 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 1.6 pt-20 -82.15 -7.82 59.63 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.273 -0.421 . . . . 72.21 110.82 -179.997 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . 54.74 24.38 32.78 Favored Glycine 0 N--CA 1.452 -0.281 0 C-N-CA 120.735 -0.745 . . . . 73.32 112.461 179.966 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . 94.32 12.59 55.94 Favored Glycine 0 N--CA 1.45 -0.407 0 C-N-CA 120.726 -0.75 . . . . 64.14 112.522 -179.884 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . -137.54 -116.11 1.45 Allowed Glycine 0 N--CA 1.451 -0.326 0 C-N-CA 120.796 -0.716 . . . . 73.41 112.524 -179.956 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . 76.62 116.48 0.14 Allowed Glycine 0 N--CA 1.452 -0.285 0 C-N-CA 120.73 -0.748 . . . . 74.32 112.483 -179.897 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . 51.87 48.48 51.11 Favored Glycine 0 N--CA 1.452 -0.291 0 C-N-CA 120.807 -0.711 . . . . 75.02 112.458 -179.916 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . 79.37 -57.51 4.42 Favored Glycine 0 N--CA 1.451 -0.335 0 C-N-CA 120.739 -0.743 . . . . 75.3 112.423 -179.955 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . -123.43 -53.52 0.2 Allowed Glycine 0 N--CA 1.451 -0.365 0 C-N-CA 120.778 -0.725 . . . . 73.53 112.467 -179.894 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 168.95 34.56 0.02 OUTLIER Glycine 0 N--CA 1.452 -0.281 0 C-N-CA 120.683 -0.77 . . . . 61.02 112.458 -179.834 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 26.2 tt0 -76.66 -27.96 55.81 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 120.848 0.356 . . . . 63.44 110.892 -179.88 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 3.4 mt -77.22 -59.04 2.94 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.179 -0.464 . . . . 72.21 110.918 179.992 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 38' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -55.07 -26.82 40.34 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.169 -0.469 . . . . 75.32 110.921 179.793 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -57.11 -28.16 62.43 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.191 -0.458 . . . . 75.31 110.906 179.923 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 3.3 mt -74.37 -43.53 56.1 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 116.223 -0.444 . . . . 71.21 110.889 179.923 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 41' ' ' CYS . . . . . . . . . . . . . 17.9 m -75.02 -27.96 60.29 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.224 -0.444 . . . . 73.04 110.884 179.917 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 70.5 tt0 -55.57 -25.51 38.43 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.15 -0.477 . . . . 71.13 110.934 -179.877 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 3.7 mm-40 -54.58 -28.6 47.26 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.122 -0.49 . . . . 75.2 110.872 -179.972 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -52.03 -44.93 64.44 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.187 -0.46 . . . . 70.01 111.113 179.908 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -75.25 -24.64 57.67 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.239 -0.437 . . . . 73.03 111.114 179.914 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -73.94 -48.44 30.56 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.228 -0.442 . . . . 75.51 110.892 179.996 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 4.8 mttm -57.26 -36.76 71.37 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.159 -0.473 . . . . 72.22 110.9 179.909 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -58.44 -36.73 74.11 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.207 -0.451 . . . . 72.43 111.129 179.794 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 17.2 tt0 -76.88 -36.19 56.91 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.31 -0.404 . . . . 73.2 110.901 -179.985 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 1.8 mm-40 -69.44 -45.28 69.51 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.097 -0.501 . . . . 75.22 110.901 -179.885 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 4.5 pp -72.39 -23.73 61.15 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.18 -0.464 . . . . 73.02 110.945 179.95 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 52' ' ' PHE . . . . . . . . . . . . . 90.1 t80 -56.44 -23.93 41.97 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.235 -0.438 . . . . 75.21 110.869 179.945 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -52.2 -42.82 63.82 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.174 -0.467 . . . . 73.35 110.904 179.926 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 54' ' ' LEU . . . . . . . . . . . . . 62.5 mt -64.17 -29.03 70.17 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.199 -0.455 . . . . 75.24 110.854 179.983 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -55.39 -29.12 57.89 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.239 -0.437 . . . . 74.34 111.102 179.786 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 3.9 mt-10 -77.66 -24.74 49.34 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.255 -0.43 . . . . 75.55 110.846 -179.861 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 25.8 mm-40 -63.28 -47.63 81.54 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.179 -0.464 . . . . 72.43 110.812 -179.924 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -79.05 -22.19 45.72 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.173 -0.467 . . . . 74.43 110.877 -179.892 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 59' ' ' LEU . . . . . . . . . . . . . 2.0 tt -84.15 -69.02 0.67 Allowed 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.236 -0.438 . . . . 74.24 110.926 -179.998 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -112.73 -175.98 2.8 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.172 -0.467 . . . . 74.12 110.936 179.827 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 1.9 pttt -91.35 -31.04 16.22 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.289 -0.414 . . . . 75.14 110.902 179.862 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER . . . . . 0 C--N 1.328 -0.343 0 CA-C-N 116.228 -0.442 . . . . 73.4 110.905 179.92 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 1' ' ' MET . . . . . . . . . . . . . 4.1 mtt . . . . . 0 C--O 1.231 0.122 0 CA-C-O 120.83 0.348 . . . . 74.15 110.911 . . . . . . . . . 0 0 . 1 . 011 nuclear orig core ' B' B ' 2' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -123.18 143.47 50.0 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.199 -0.455 . . . . 73.14 110.943 179.922 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' B' B ' 3' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -142.45 -70.84 0.33 Allowed 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.231 -0.441 . . . . 73.42 110.917 179.84 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' B' B ' 4' ' ' LEU . . . . . . . . . . . . . 1.7 pt? -134.82 7.38 3.48 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.294 -0.412 . . . . 73.3 110.907 179.909 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 5' ' ' ARG . . . . . . . . . . . . . 2.5 mtt-85 -70.45 -31.93 69.3 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.175 -0.466 . . . . 75.31 110.896 179.959 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 6' ' ' GLU . . . . . . . . . . . . . 19.9 pt-20 -51.8 -26.62 10.13 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.125 -0.488 . . . . 65.54 110.892 -179.936 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 7' ' ' GLU . . . . . . . . . . . . . 2.5 pp20? -53.14 -33.37 52.12 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.162 -0.472 . . . . 61.41 110.853 -179.936 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 8' ' ' ALA . . . . . . . . . . . . . . . -76.7 -26.92 55.23 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.149 -0.478 . . . . 73.41 111.144 179.902 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 9' ' ' ALA . . . . . . . . . . . . . . . -60.69 -44.23 96.77 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.224 -0.444 . . . . 75.45 111.096 179.911 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 10' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -55.64 -37.03 67.66 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.238 -0.437 . . . . 72.42 110.909 179.986 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' B' B ' 11' ' ' LEU . . . . . . . . . . . . . 25.4 mt -52.75 -42.83 65.32 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.181 -0.463 . . . . 73.34 110.867 179.925 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 12' ' ' PHE . . . . . . . . . . . . . 24.5 m-85 -71.99 -23.53 61.43 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.232 -0.44 . . . . 72.24 110.916 179.952 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 13' ' ' GLU . . . . . . . . . . . . . 5.1 tt0 -60.93 -40.38 93.02 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.104 -0.498 . . . . 62.44 110.882 -179.958 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 14' ' ' GLU . . . . . . . . . . . . . 4.6 mt-10 -75.62 -31.49 59.91 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.139 -0.482 . . . . 71.23 110.928 -179.927 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 15' ' ' TRP . . . . . . . . . . . . . 18.1 m0 -54.0 -56.06 21.41 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.082 -0.508 . . . . 74.5 110.871 -179.897 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 16' ' ' LYS . . . . . . . . . . . . . 8.3 ptmt -67.71 -39.75 84.33 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.307 -0.406 . . . . 70.11 110.93 179.885 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 17' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -56.54 -50.55 71.53 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.244 -0.435 . . . . 73.4 110.838 179.933 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' B' B ' 18' ' ' LEU . . . . . . . . . . . . . 5.4 mt -56.09 -38.28 70.5 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.249 -0.432 . . . . 72.13 110.945 179.894 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 19' ' ' ALA . . . . . . . . . . . . . . . -73.1 -32.33 64.9 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.256 -0.429 . . . . 53.04 111.118 179.755 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 20' ' ' GLU . . . . . . . . . . . . . 1.4 mm-40 -58.12 -49.31 77.42 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.223 -0.444 . . . . 73.32 110.883 -179.968 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 21' ' ' GLU . . . . . . . . . . . . . 1.3 mm-40 -74.23 -48.64 27.53 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.122 -0.49 . . . . 63.22 110.853 -179.851 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 22' ' ' ALA . . . . . . . . . . . . . . . -56.57 -30.94 63.73 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.173 -0.467 . . . . 73.31 111.153 179.872 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 23' ' ' ALA . . . . . . . . . . . . . . . -71.19 -54.44 10.98 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.161 -0.472 . . . . 73.55 111.043 179.978 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 24' ' ' LYS . . . . . . . . . . . . . 4.3 ptmt -62.17 -35.42 78.77 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.258 -0.428 . . . . 71.2 110.869 -179.989 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 25' ' ' LEU . . . . . . . . . . . . . 6.9 mt -76.82 -38.15 54.42 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.267 -0.424 . . . . 74.41 110.912 179.965 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 26' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -50.18 -51.61 42.42 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.231 -0.44 . . . . 72.51 110.886 179.845 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' B' B ' 27' ' ' GLU . . . . . . . . . . . . . 1.6 pt-20 -81.31 -13.94 57.87 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.241 -0.436 . . . . 73.23 110.867 179.951 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 28' ' ' GLY . . . . . . . . . . . . . . . 53.14 26.15 27.3 Favored Glycine 0 N--CA 1.45 -0.376 0 C-N-CA 120.789 -0.72 . . . . 62.34 112.44 179.998 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 29' ' ' GLY . . . . . . . . . . . . . . . 92.23 42.24 4.67 Favored Glycine 0 N--CA 1.452 -0.288 0 C-N-CA 120.71 -0.757 . . . . 65.12 112.429 -179.978 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 30' ' ' GLY . . . . . . . . . . . . . . . -105.84 -110.4 3.49 Favored Glycine 0 N--CA 1.452 -0.281 0 C-N-CA 120.688 -0.767 . . . . 44.14 112.457 -179.904 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 31' ' ' GLY . . . . . . . . . . . . . . . 89.08 131.86 4.25 Favored Glycine 0 N--CA 1.452 -0.291 0 C-N-CA 120.76 -0.733 . . . . 53.11 112.44 -179.891 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 32' ' ' GLY . . . . . . . . . . . . . . . 63.19 76.37 0.28 Allowed Glycine 0 N--CA 1.452 -0.276 0 C-N-CA 120.705 -0.76 . . . . 72.42 112.453 -179.96 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 33' ' ' GLY . . . . . . . . . . . . . . . 99.74 -35.23 4.88 Favored Glycine 0 N--CA 1.451 -0.347 0 C-N-CA 120.773 -0.727 . . . . 73.33 112.56 -179.934 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 34' ' ' GLY . . . . . . . . . . . . . . . -105.98 -18.97 10.62 Favored Glycine 0 N--CA 1.451 -0.308 0 C-N-CA 120.738 -0.744 . . . . 64.45 112.436 -179.923 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 35' ' ' GLY . . . . . . . . . . . . . . . -160.22 25.41 0.3 Allowed Glycine 0 N--CA 1.451 -0.33 0 C-N-CA 120.662 -0.78 . . . . 73.42 112.434 -179.923 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 36' ' ' GLU . . . . . . . . . . . . . 21.4 tt0 -76.15 -21.46 56.55 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 120.872 0.368 . . . . 75.14 110.9 -179.895 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 37' ' ' LEU . . . . . . . . . . . . . 1.6 mt -71.45 -51.57 23.12 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.137 -0.483 . . . . 73.53 110.944 179.932 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 38' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -54.97 -24.6 24.78 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.19 -0.459 . . . . 74.43 110.839 179.848 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' B' B ' 39' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -53.42 -28.81 31.85 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.273 -0.421 . . . . 71.24 110.882 179.982 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' B' B ' 40' ' ' LEU . . . . . . . . . . . . . 3.3 mt -74.08 -35.53 64.23 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.182 -0.463 . . . . 73.32 110.842 -179.994 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 41' ' ' CYS . . . . . . . . . . . . . 16.4 m -75.2 -33.6 61.43 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.212 -0.449 . . . . 75.35 110.832 -179.984 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 42' ' ' GLU . . . . . . . . . . . . . 70.5 tt0 -55.52 -25.94 40.25 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.24 -0.436 . . . . 65.25 110.871 -179.896 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 43' ' ' GLU . . . . . . . . . . . . . 3.8 mm-40 -54.96 -25.64 31.02 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.192 -0.458 . . . . 72.21 110.866 -179.938 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 44' ' ' ALA . . . . . . . . . . . . . . . -51.87 -43.66 63.38 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.146 -0.479 . . . . 63.2 111.119 179.971 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 45' ' ' ALA . . . . . . . . . . . . . . . -75.09 -22.89 57.99 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.263 -0.426 . . . . 74.11 111.055 179.95 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 46' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -70.19 -47.19 62.59 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.231 -0.441 . . . . 72.31 110.905 179.941 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' B' B ' 47' ' ' LYS . . . . . . . . . . . . . 4.8 mttm -58.28 -37.31 74.74 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.227 -0.442 . . . . 63.5 110.911 179.912 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 48' ' ' ALA . . . . . . . . . . . . . . . -56.53 -34.16 66.76 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.229 -0.442 . . . . 60.15 111.107 179.796 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 49' ' ' GLU . . . . . . . . . . . . . 17.2 tt0 -76.36 -31.33 58.0 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.167 -0.469 . . . . 75.21 110.897 -179.948 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 50' ' ' GLU . . . . . . . . . . . . . 1.8 mm-40 -65.56 -46.46 79.4 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.188 -0.46 . . . . 73.33 110.955 -179.968 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 51' ' ' LEU . . . . . . . . . . . . . 4.6 pp -73.07 -29.81 63.22 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.081 -0.509 . . . . 75.33 110.912 179.982 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 52' ' ' PHE . . . . . . . . . . . . . 89.1 t80 -65.2 -23.9 67.21 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.222 -0.444 . . . . 74.41 110.855 179.987 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 53' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -51.66 -58.83 5.25 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.136 -0.484 . . . . 75.22 110.933 179.959 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' B' B ' 54' ' ' LEU . . . . . . . . . . . . . 70.4 mt -75.11 -24.41 58.08 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.166 -0.47 . . . . 73.23 110.873 179.934 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 55' ' ' ALA . . . . . . . . . . . . . . . -58.04 -24.86 60.05 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.297 -0.411 . . . . 74.11 111.106 179.805 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 56' ' ' GLU . . . . . . . . . . . . . 3.3 mt-10 -75.81 -26.41 57.23 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.145 -0.479 . . . . 74.44 110.909 -179.969 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 57' ' ' GLU . . . . . . . . . . . . . 25.4 mm-40 -65.12 -49.65 69.12 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.154 -0.475 . . . . 75.22 110.936 -179.923 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 58' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -78.9 -17.94 54.7 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.226 -0.443 . . . . 62.44 110.834 -179.918 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' B' B ' 59' ' ' LEU . . . . . . . . . . . . . 20.5 mt -88.5 -74.99 0.44 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.177 -0.465 . . . . 74.51 110.947 -179.941 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 60' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -105.35 -175.41 2.79 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.158 -0.473 . . . . 74.21 110.908 179.795 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' B' B ' 61' ' ' LYS . . . . . . . . . . . . . 1.9 pttt -90.04 -31.42 17.18 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.24 -0.436 . . . . 72.24 110.877 179.853 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 62' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER . . . . . 0 C--N 1.328 -0.339 0 CA-C-N 116.267 -0.424 . . . . 75.42 110.827 179.885 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 3.3 tptt . . . . . 0 C--O 1.23 0.076 0 CA-C-O 120.872 0.368 . . . . 75.02 110.924 . . . . . . . . . 0 0 . 1 . 012 nuclear orig core ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 7.4 mttp -140.57 -40.72 0.41 Allowed 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.17 -0.468 . . . . 74.04 110.951 179.881 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 4.4 mm? -64.92 -47.28 78.31 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.194 -0.457 . . . . 75.13 110.877 179.921 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 3.8 mtp180 -72.2 -40.7 67.65 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.202 -0.453 . . . . 74.44 110.865 179.963 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 5.0 tt0 -54.27 -29.39 46.91 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.177 -0.465 . . . . 64.33 110.901 -179.911 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 1.2 mm-40 -53.86 -45.97 71.12 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.081 -0.509 . . . . 70.03 110.86 -179.915 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -58.76 -28.23 65.7 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.141 -0.481 . . . . 75.43 111.112 179.948 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -74.25 -42.78 59.13 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.204 -0.453 . . . . 70.43 111.138 179.915 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 7.1 mtpt -58.3 -32.86 68.86 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.187 -0.46 . . . . 71.42 110.898 179.914 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 72.9 mt -52.04 -43.32 63.69 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.227 -0.442 . . . . 74.13 110.923 179.937 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 24.5 m-85 -74.19 -26.28 60.18 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.19 -0.459 . . . . 71.13 110.894 179.916 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 1.1 tt0 -59.51 -35.3 73.89 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.108 -0.496 . . . . 62.1 110.911 -179.957 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 4.9 mt-10 -74.93 -30.23 61.19 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.092 -0.504 . . . . 75.43 110.897 -179.906 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 15' ' ' TRP . . . . . . . . . . . . . 12.4 m0 -61.95 -50.73 70.96 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.154 -0.476 . . . . 73.52 110.882 -179.918 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -75.06 -24.73 58.26 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.198 -0.455 . . . . 73.04 110.918 179.903 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 8.5 mmtp -73.12 -56.77 4.66 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.242 -0.435 . . . . 73.34 110.859 179.917 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 12.1 mt -54.91 -39.45 68.79 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.237 -0.438 . . . . 75.53 110.891 179.95 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -57.47 -23.18 48.33 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.174 -0.466 . . . . 74.51 111.107 179.784 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -73.19 -49.3 28.81 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.245 -0.434 . . . . 71.04 110.869 -179.896 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 1.4 mm-40 -73.53 -50.23 22.46 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.204 -0.453 . . . . 61.32 110.867 -179.918 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -54.85 -30.52 57.82 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.163 -0.471 . . . . 73.33 111.09 179.957 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -71.0 -54.22 12.0 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.2 -0.454 . . . . 73.22 111.103 179.944 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 4.9 ptpt -63.67 -34.29 77.53 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.237 -0.438 . . . . 75.2 110.919 179.976 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 5.9 mt -76.66 -38.92 53.75 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.24 -0.436 . . . . 74.14 110.886 179.949 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 4.9 mt -50.43 -51.91 42.43 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.174 -0.467 . . . . 74.4 110.939 179.854 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 9.6 mt-10 -78.99 -11.79 60.02 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.148 -0.478 . . . . 74.44 110.899 179.94 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . 64.29 20.58 65.43 Favored Glycine 0 N--CA 1.452 -0.283 0 C-N-CA 120.746 -0.74 . . . . 51.31 112.51 -179.933 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . 61.0 19.47 56.75 Favored Glycine 0 N--CA 1.452 -0.274 0 C-N-CA 120.718 -0.753 . . . . 75.31 112.513 -179.913 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . 141.62 55.45 0.04 OUTLIER Glycine 0 N--CA 1.452 -0.285 0 C-N-CA 120.787 -0.721 . . . . 72.54 112.497 -179.951 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . -156.24 175.61 33.88 Favored Glycine 0 N--CA 1.45 -0.381 0 C-N-CA 120.743 -0.742 . . . . 71.53 112.518 -179.907 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . 52.18 -152.53 6.61 Favored Glycine 0 N--CA 1.451 -0.31 0 C-N-CA 120.706 -0.759 . . . . 72.33 112.469 -179.975 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -64.2 -65.99 2.73 Favored Glycine 0 N--CA 1.451 -0.343 0 C-N-CA 120.764 -0.731 . . . . 63.23 112.546 -179.963 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 66.16 149.71 0.1 OUTLIER Glycine 0 N--CA 1.452 -0.28 0 C-N-CA 120.734 -0.746 . . . . 54.52 112.448 -179.936 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 129.31 -155.75 20.95 Favored Glycine 0 N--CA 1.451 -0.331 0 C-N-CA 120.697 -0.763 . . . . 74.2 112.476 -179.945 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 30.3 tt0 -64.34 -29.74 70.81 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.898 0.38 . . . . 73.52 110.86 -179.904 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 2.1 pp -51.94 -35.4 45.79 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.138 -0.483 . . . . 72.21 110.922 -179.974 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 38' ' ' MET . . . . . . . . . . . . . 2.6 ttp -73.13 -35.2 66.48 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.173 -0.467 . . . . 74.44 110.883 179.903 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 29.4 tttt -53.9 -30.58 46.72 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.18 -0.463 . . . . 74.04 110.89 179.921 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -53.79 -57.7 9.91 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.235 -0.438 . . . . 73.11 110.891 179.932 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 41' ' ' CYS . . . . . . . . . . . . . 31.7 m -64.29 -35.21 80.12 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.245 -0.434 . . . . 75.11 110.879 179.917 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 28.7 tt0 -55.65 -26.28 43.64 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 116.224 -0.444 . . . . 74.11 110.927 -179.894 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 3.5 mm-40 -55.5 -26.16 41.25 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.097 -0.502 . . . . 72.43 110.892 -179.877 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -52.84 -45.51 67.37 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.188 -0.46 . . . . 55.23 111.101 179.95 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -75.27 -23.12 57.39 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.254 -0.43 . . . . 53.53 111.096 179.965 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -74.93 -48.57 23.84 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.163 -0.472 . . . . 74.25 110.943 179.903 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 13.5 mttt -73.91 -51.28 16.64 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.212 -0.449 . . . . 73.11 110.873 179.884 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -52.55 -28.41 20.68 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.279 -0.419 . . . . 74.01 111.119 179.804 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 1.6 tt0 -77.19 -36.19 55.13 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.224 -0.444 . . . . 73.52 110.888 -179.93 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 2.5 mt-10 -74.78 -52.78 10.55 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.18 -0.464 . . . . 72.04 110.903 -179.971 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 4.6 pp -61.69 -19.54 62.46 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.116 -0.493 . . . . 71.1 110.855 -179.947 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 52' ' ' PHE . . . . . . . . . . . . . 18.7 t80 -52.35 -23.58 6.14 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.204 -0.453 . . . . 72.53 110.867 179.989 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 1.2 ptpm? -52.82 -40.16 63.06 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.213 -0.449 . . . . 75.31 110.923 179.963 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 54' ' ' LEU . . . . . . . . . . . . . 4.9 tp -55.52 -22.05 19.57 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.219 -0.446 . . . . 74.53 110.85 179.962 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -68.03 -24.64 65.12 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.247 -0.433 . . . . 65.24 111.156 179.783 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 1.3 mt-10 -76.43 -27.07 56.1 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.197 -0.456 . . . . 64.42 110.836 -179.926 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 3.9 mm-40 -62.84 -49.66 74.03 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.195 -0.457 . . . . 70.42 110.883 -179.934 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -78.88 -18.9 53.16 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.192 -0.458 . . . . 74.45 110.833 -179.862 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 59' ' ' LEU . . . . . . . . . . . . . 23.5 tp -87.77 -77.54 0.34 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.154 -0.476 . . . . 73.11 110.956 179.944 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -101.12 -175.35 2.85 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.183 -0.462 . . . . 73.35 110.957 179.792 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -120.42 69.28 0.86 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.238 -0.437 . . . . 74.45 110.865 179.865 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 71.5 mt . . . . . 0 C--N 1.328 -0.33 0 CA-C-N 116.286 -0.415 . . . . 72.52 110.948 179.887 . . . . . . . . 0 0 . 1 . 012 nuclear orig core ' B' B ' 1' ' ' MET . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 C--O 1.231 0.108 0 CA-C-O 120.838 0.352 . . . . 75.3 110.884 . . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 2' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -173.23 149.11 1.74 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.183 -0.462 . . . . 72.01 110.874 179.882 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' B' B ' 3' ' ' LYS . . . . . . . . . . . . . 7.7 mttp -171.65 -50.68 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.187 -0.46 . . . . 74.1 110.86 179.863 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 4' ' ' LEU . . . . . . . . . . . . . 4.2 mm? -94.45 -23.11 17.87 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.253 -0.43 . . . . 75.42 110.909 179.966 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 5' ' ' ARG . . . . . . . . . . . . . 3.1 mtp180 -65.41 -40.6 93.58 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.194 -0.457 . . . . 73.03 110.87 179.934 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 6' ' ' GLU . . . . . . . . . . . . . 4.9 tt0 -56.95 -33.05 66.63 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.13 -0.487 . . . . 65.24 110.91 -179.893 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 7' ' ' GLU . . . . . . . . . . . . . 1.2 mm-40 -53.96 -45.3 71.28 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.185 -0.461 . . . . 74.43 110.867 -179.96 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 8' ' ' ALA . . . . . . . . . . . . . . . -58.5 -27.14 64.19 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.169 -0.468 . . . . 71.33 111.07 179.969 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 9' ' ' ALA . . . . . . . . . . . . . . . -74.2 -42.58 59.58 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.248 -0.433 . . . . 62.31 111.114 179.929 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 10' ' ' LYS . . . . . . . . . . . . . 6.9 mtpt -60.3 -32.38 71.16 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.244 -0.434 . . . . 75.33 110.859 -179.994 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 11' ' ' LEU . . . . . . . . . . . . . 78.3 mt -51.88 -44.02 63.54 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.265 -0.425 . . . . 74.15 110.898 179.904 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 12' ' ' PHE . . . . . . . . . . . . . 23.7 m-85 -74.13 -26.0 60.08 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.193 -0.458 . . . . 74.23 110.883 179.959 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 13' ' ' GLU . . . . . . . . . . . . . 1.1 tt0 -59.45 -35.22 73.64 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.171 -0.468 . . . . 73.52 110.886 -179.93 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 14' ' ' GLU . . . . . . . . . . . . . 4.9 mt-10 -74.98 -30.23 61.12 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.13 -0.486 . . . . 70.12 110.899 -179.938 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 15' ' ' TRP . . . . . . . . . . . . . 12.2 m0 -61.75 -50.55 71.93 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 116.13 -0.487 . . . . 73.15 110.909 -179.979 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 16' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -75.57 -24.56 56.65 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.211 -0.449 . . . . 70.05 110.918 179.9 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' B' B ' 17' ' ' LYS . . . . . . . . . . . . . 8.6 mmtp -73.09 -56.56 4.94 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.247 -0.433 . . . . 75.41 110.909 179.821 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 18' ' ' LEU . . . . . . . . . . . . . 12.2 mt -54.77 -39.66 68.61 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.22 -0.446 . . . . 75.01 110.889 179.886 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 19' ' ' ALA . . . . . . . . . . . . . . . -57.62 -23.46 51.2 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.233 -0.44 . . . . 64.13 111.126 179.783 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 20' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -73.25 -49.44 27.75 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.211 -0.449 . . . . 74.21 110.91 -179.945 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' B' B ' 21' ' ' GLU . . . . . . . . . . . . . 1.4 mm-40 -73.6 -50.15 22.6 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.119 -0.491 . . . . 73.2 110.844 -179.88 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 22' ' ' ALA . . . . . . . . . . . . . . . -54.87 -30.38 57.73 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.182 -0.463 . . . . 63.24 111.111 179.946 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 23' ' ' ALA . . . . . . . . . . . . . . . -71.04 -54.32 11.6 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.211 -0.449 . . . . 51.3 111.049 179.899 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 24' ' ' LYS . . . . . . . . . . . . . 4.8 ptpt -63.6 -34.37 77.66 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.24 -0.436 . . . . 75.4 110.858 -179.972 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 25' ' ' LEU . . . . . . . . . . . . . 5.8 mt -76.61 -38.98 53.87 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.195 -0.457 . . . . 74.33 110.932 179.956 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 26' ' ' LEU . . . . . . . . . . . . . 4.9 mt -50.55 -51.8 44.71 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.198 -0.456 . . . . 72.23 110.893 179.891 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 27' ' ' GLU . . . . . . . . . . . . . 9.5 mt-10 -78.94 -11.82 60.01 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.229 -0.441 . . . . 63.31 110.88 179.904 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 28' ' ' GLY . . . . . . . . . . . . . . . 64.1 20.56 65.0 Favored Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.761 -0.733 . . . . 71.42 112.498 -179.96 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 29' ' ' GLY . . . . . . . . . . . . . . . 61.04 19.54 56.91 Favored Glycine 0 N--CA 1.45 -0.387 0 C-N-CA 120.774 -0.727 . . . . 73.05 112.528 -179.887 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 30' ' ' GLY . . . . . . . . . . . . . . . 141.62 55.33 0.04 OUTLIER Glycine 0 N--CA 1.45 -0.368 0 C-N-CA 120.82 -0.705 . . . . 52.11 112.538 -179.89 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 31' ' ' GLY . . . . . . . . . . . . . . . -156.41 175.55 34.03 Favored Glycine 0 N--CA 1.451 -0.325 0 C-N-CA 120.78 -0.724 . . . . 75.1 112.563 -179.925 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 32' ' ' GLY . . . . . . . . . . . . . . . 52.23 -152.43 6.77 Favored Glycine 0 N--CA 1.451 -0.343 0 C-N-CA 120.706 -0.759 . . . . 62.2 112.564 -179.849 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 33' ' ' GLY . . . . . . . . . . . . . . . -64.35 -65.92 2.75 Favored Glycine 0 N--CA 1.452 -0.275 0 C-N-CA 120.749 -0.739 . . . . 62.4 112.485 -179.986 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 34' ' ' GLY . . . . . . . . . . . . . . . 66.16 149.84 0.1 Allowed Glycine 0 N--CA 1.45 -0.38 0 C-N-CA 120.832 -0.699 . . . . 34.43 112.507 -179.888 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 35' ' ' GLY . . . . . . . . . . . . . . . 129.09 -155.87 20.94 Favored Glycine 0 N--CA 1.451 -0.315 0 C-N-CA 120.793 -0.718 . . . . 71.33 112.463 -179.899 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 36' ' ' GLU . . . . . . . . . . . . . 30.1 tt0 -64.23 -29.77 70.85 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.874 0.369 . . . . 74.32 110.872 -179.895 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 37' ' ' LEU . . . . . . . . . . . . . 2.2 pp -51.91 -35.4 45.39 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.181 -0.463 . . . . 74.12 110.863 -179.902 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 38' ' ' MET . . . . . . . . . . . . . 2.5 ttp -73.07 -35.44 66.67 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.219 -0.446 . . . . 72.12 110.939 179.782 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 39' ' ' LYS . . . . . . . . . . . . . 29.4 tttt -53.84 -30.88 47.27 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.191 -0.459 . . . . 72.21 110.866 179.969 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 40' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -53.82 -57.65 10.14 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.262 -0.426 . . . . 75.21 110.902 179.926 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' B' B ' 41' ' ' CYS . . . . . . . . . . . . . 31.0 m -64.31 -34.55 78.39 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.242 -0.435 . . . . 71.21 110.926 179.879 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 42' ' ' GLU . . . . . . . . . . . . . 28.5 tt0 -56.3 -26.03 50.66 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.175 -0.466 . . . . 70.12 110.873 -179.86 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 43' ' ' GLU . . . . . . . . . . . . . 3.5 mm-40 -55.31 -25.94 37.53 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.131 -0.486 . . . . 75.01 110.901 -179.958 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 44' ' ' ALA . . . . . . . . . . . . . . . -52.79 -45.76 67.32 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.169 -0.469 . . . . 72.22 111.069 179.884 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 45' ' ' ALA . . . . . . . . . . . . . . . -75.08 -22.85 58.04 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.218 -0.446 . . . . 72.33 111.055 -180.0 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 46' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -75.36 -48.85 21.11 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.26 -0.427 . . . . 74.51 110.942 179.956 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' B' B ' 47' ' ' LYS . . . . . . . . . . . . . 13.9 mttt -73.74 -51.69 15.68 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.153 -0.476 . . . . 72.11 110.927 179.78 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 48' ' ' ALA . . . . . . . . . . . . . . . -52.66 -28.27 20.86 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.228 -0.442 . . . . 74.02 111.093 179.841 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 49' ' ' GLU . . . . . . . . . . . . . 1.6 tt0 -77.19 -36.85 54.64 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.187 -0.46 . . . . 74.25 110.826 -179.877 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 50' ' ' GLU . . . . . . . . . . . . . 2.5 mt-10 -74.74 -52.85 10.41 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.198 -0.456 . . . . 74.51 110.904 -179.943 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 51' ' ' LEU . . . . . . . . . . . . . 4.6 pp -61.71 -19.62 62.6 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.22 -0.445 . . . . 75.45 110.917 179.985 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 52' ' ' PHE . . . . . . . . . . . . . 18.6 t80 -52.23 -23.63 5.95 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.202 -0.454 . . . . 71.14 110.875 179.893 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 53' ' ' LYS . . . . . . . . . . . . . 1.2 ptpm? -52.64 -40.43 62.79 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.176 -0.465 . . . . 73.23 110.923 179.946 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 54' ' ' LEU . . . . . . . . . . . . . 4.9 tp -55.44 -22.02 18.59 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.181 -0.463 . . . . 74.32 110.921 179.928 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 55' ' ' ALA . . . . . . . . . . . . . . . -68.14 -24.71 65.03 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.162 -0.472 . . . . 74.42 111.068 179.781 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 56' ' ' GLU . . . . . . . . . . . . . 1.3 mt-10 -76.36 -26.96 56.23 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.232 -0.44 . . . . 73.4 110.869 -179.868 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 57' ' ' GLU . . . . . . . . . . . . . 3.9 mm-40 -63.05 -49.69 73.56 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.136 -0.484 . . . . 72.15 110.914 -179.927 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 58' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -78.72 -18.84 53.67 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.106 -0.497 . . . . 74.44 110.854 -179.91 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' B' B ' 59' ' ' LEU . . . . . . . . . . . . . 20.3 tp -87.97 -77.57 0.35 Allowed 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.215 -0.448 . . . . 73.02 110.934 -179.936 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 60' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -101.15 -175.28 2.82 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.254 -0.43 . . . . 75.34 110.911 179.779 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' B' B ' 61' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -119.95 69.07 0.84 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.243 -0.435 . . . . 75.25 110.954 179.862 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' B' B ' 62' ' ' LEU . . . . . . . . . . . . . 71.6 mt . . . . . 0 C--N 1.329 -0.285 0 CA-C-N 116.168 -0.469 . . . . 75.24 110.977 179.954 . . . . . . . . 0 0 . 1 . 013 nuclear orig core ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 15.3 ptmt . . . . . 0 C--O 1.231 0.12 0 CA-C-O 120.839 0.352 . . . . 75.11 110.854 . . . . . . . . . 0 0 . 1 . 013 nuclear orig core ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER 180.0 -52.32 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.195 -0.457 . . . . 72.13 110.854 179.878 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER 176.81 -31.85 0.0 OUTLIER 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.286 -0.416 . . . . 75.24 110.895 179.923 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -70.6 -23.67 62.61 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.234 -0.439 . . . . 71.15 110.884 179.975 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -54.22 -32.67 56.44 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.172 -0.467 . . . . 74.32 110.877 -179.937 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 8.3 mm-40 -55.15 -53.84 50.88 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.167 -0.47 . . . . 65.31 110.866 -179.936 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -53.46 -27.95 27.79 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.173 -0.467 . . . . 74.1 111.109 179.977 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -66.94 -40.54 87.6 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.193 -0.458 . . . . 71.12 111.115 179.923 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 8.8 mtmt -62.68 -32.65 73.76 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.223 -0.444 . . . . 65.35 110.935 179.947 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 59.5 mt -51.99 -44.55 64.13 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.207 -0.451 . . . . 72.34 110.885 179.92 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 28.0 m-85 -73.99 -24.42 59.6 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.161 -0.472 . . . . 75.12 110.939 179.946 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -57.75 -39.01 76.38 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 116.113 -0.494 . . . . 70.41 110.88 -179.936 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 10.0 mt-10 -75.09 -34.31 61.73 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.228 -0.442 . . . . 74.23 110.953 179.997 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 15' ' ' TRP . . . . . . . . . . . . . 23.2 m0 -53.9 -48.46 70.1 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.14 -0.482 . . . . 74.52 110.928 -179.974 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -77.15 -24.21 51.58 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.258 -0.428 . . . . 74.51 110.943 179.852 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -70.26 -47.08 62.91 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.209 -0.45 . . . . 75.43 110.928 179.851 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 3.6 mt -55.81 -32.79 63.86 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.192 -0.458 . . . . 75.12 110.899 179.907 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -69.96 -20.96 63.3 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.216 -0.447 . . . . 75.41 111.134 179.801 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 69.5 mt-10 -67.28 -49.24 65.08 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.18 -0.464 . . . . 73.5 110.9 -179.901 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 2.4 mm-40 -71.37 -32.14 68.14 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.117 -0.492 . . . . 74.22 110.923 -179.969 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -76.05 -32.94 59.56 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.128 -0.487 . . . . 70.41 111.116 179.904 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -70.95 -50.63 32.41 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.219 -0.446 . . . . 75.21 111.135 179.925 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -61.93 -37.54 85.09 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.265 -0.425 . . . . 73.53 110.945 179.925 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 12.6 mt -76.62 -38.91 53.95 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.238 -0.437 . . . . 72.54 110.899 179.899 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 2.4 mt -50.67 -43.33 57.42 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.125 -0.489 . . . . 72.32 110.915 179.957 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 9.0 mt-10 -101.61 12.83 36.54 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.181 -0.463 . . . . 73.44 110.915 179.943 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . -56.22 -17.53 17.91 Favored Glycine 0 N--CA 1.452 -0.297 0 C-N-CA 120.779 -0.724 . . . . 70.22 112.467 -179.968 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . 145.37 38.89 0.05 OUTLIER Glycine 0 N--CA 1.452 -0.262 0 C-N-CA 120.704 -0.76 . . . . 74.14 112.476 -179.866 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . -137.91 -67.06 0.05 OUTLIER Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.701 -0.762 . . . . 73.1 112.479 -179.959 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . 119.88 -54.71 0.64 Allowed Glycine 0 N--CA 1.451 -0.357 0 C-N-CA 120.755 -0.736 . . . . 75.2 112.494 -179.927 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . 52.11 -171.71 0.36 Allowed Glycine 0 N--CA 1.452 -0.297 0 C-N-CA 120.71 -0.757 . . . . 63.03 112.487 -179.951 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . 117.48 -90.09 0.5 Allowed Glycine 0 N--CA 1.451 -0.34 0 C-N-CA 120.745 -0.741 . . . . 73.21 112.484 -179.92 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 65.8 20.35 68.32 Favored Glycine 0 N--CA 1.452 -0.289 0 C-N-CA 120.749 -0.739 . . . . 71.22 112.441 -179.911 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 147.98 -145.04 13.15 Favored Glycine 0 N--CA 1.451 -0.3 0 C-N-CA 120.731 -0.747 . . . . 74.43 112.47 -179.956 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 1.8 pt-20 -74.91 -10.66 59.7 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.94 0.4 . . . . 71.4 110.907 -179.875 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -50.84 -52.66 39.26 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.112 -0.495 . . . . 75.5 110.896 -179.922 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 38' ' ' MET . . . . . . . . . . . . . 43.9 ttm -53.0 -42.04 65.21 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.14 -0.482 . . . . 62.41 110.891 179.848 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -69.36 -27.95 65.78 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.224 -0.444 . . . . 74.44 110.92 179.939 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 27.0 mt -74.01 -30.75 62.61 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.202 -0.454 . . . . 70.53 110.962 179.896 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 41' ' ' CYS . . . . . . . . . . . . . 48.4 m -62.22 -35.27 78.39 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.17 -0.468 . . . . 71.54 110.822 179.95 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -72.69 -30.25 64.08 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.191 -0.458 . . . . 75.12 110.883 -179.806 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 3.8 mm-40 -59.24 -33.9 71.57 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 116.117 -0.492 . . . . 75.41 110.95 -179.974 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -51.6 -42.54 62.02 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.116 -0.493 . . . . 73.33 111.142 179.911 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -75.18 -22.97 57.65 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.182 -0.463 . . . . 71.24 111.052 -179.998 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -77.92 -46.74 20.4 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.208 -0.451 . . . . 75.11 110.853 -179.958 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 36.6 mmtm -61.85 -53.79 51.05 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.234 -0.439 . . . . 74.02 110.86 179.86 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -58.05 -49.73 75.87 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.283 -0.417 . . . . 73.44 111.128 179.87 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 4.3 tp10 -58.76 -37.63 76.67 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.25 -0.432 . . . . 74.01 110.924 -179.98 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -73.92 -33.49 63.98 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.123 -0.49 . . . . 73.03 110.841 -179.895 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 6.0 mt -72.98 -45.11 59.81 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.218 -0.446 . . . . 70.24 110.898 -179.966 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 52' ' ' PHE . . . . . . . . . . . . . 21.2 t80 -54.34 -29.76 49.17 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.164 -0.471 . . . . 65.22 110.879 179.925 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 23.6 mmtt -61.58 -44.69 96.55 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.146 -0.479 . . . . 74.32 110.912 -179.989 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 54' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -68.71 -27.29 65.82 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.246 -0.434 . . . . 63.1 110.9 179.936 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -53.35 -27.63 24.64 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.262 -0.426 . . . . 70.52 111.078 179.803 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 6.0 tt0 -64.9 -45.7 84.82 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.218 -0.446 . . . . 74.35 110.865 -179.916 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 24.9 tt0 -66.56 -37.92 85.97 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.166 -0.47 . . . . 61.33 110.917 -179.974 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 3.2 mtp85 -78.01 -19.37 54.55 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.176 -0.466 . . . . 74.02 110.825 -179.898 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 59' ' ' LEU . . . . . . . . . . . . . 26.4 tp -99.8 -78.8 0.5 Allowed 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.213 -0.449 . . . . 74.32 110.922 -179.99 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -95.22 -174.22 3.15 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.245 -0.434 . . . . 74.42 110.943 179.826 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -99.08 86.72 3.51 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.265 -0.425 . . . . 75.33 110.949 179.829 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 1.5 tt . . . . . 0 C--N 1.328 -0.35 0 CA-C-N 116.215 -0.448 . . . . 74.14 110.939 179.907 . . . . . . . . 0 0 . 1 . 013 nuclear orig core ' B' B ' 1' ' ' MET . . . . . . . . . . . . . 6.2 mtm . . . . . 0 C--O 1.231 0.103 0 CA-C-O 120.866 0.365 . . . . 64.35 110.843 . . . . . . . . . 0 0 . 1 . 013 nuclear orig core ' B' B ' 2' ' ' LYS . . . . . . . . . . . . . 15.3 ptmt -95.16 -166.48 1.47 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.185 -0.461 . . . . 74.43 110.894 179.94 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 3' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -179.82 -52.42 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.254 -0.43 . . . . 73.01 110.855 179.849 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' B' B ' 4' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER 176.98 -32.05 0.0 OUTLIER 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.2 -0.455 . . . . 72.22 110.904 179.908 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' B' B ' 5' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -70.22 -24.06 63.04 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.156 -0.475 . . . . 74.1 110.916 179.895 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' B' B ' 6' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -54.12 -32.95 56.54 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.165 -0.47 . . . . 73.44 110.873 -179.919 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' B' B ' 7' ' ' GLU . . . . . . . . . . . . . 8.1 mm-40 -55.55 -54.12 48.0 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.149 -0.478 . . . . 63.32 110.946 -179.945 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 8' ' ' ALA . . . . . . . . . . . . . . . -53.48 -27.99 28.21 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.113 -0.494 . . . . 75.01 111.079 179.911 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 9' ' ' ALA . . . . . . . . . . . . . . . -67.36 -41.36 85.24 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.267 -0.424 . . . . 72.34 111.053 179.933 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 10' ' ' LYS . . . . . . . . . . . . . 9.0 mtmt -63.28 -32.37 73.76 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.256 -0.429 . . . . 74.43 110.923 179.978 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 11' ' ' LEU . . . . . . . . . . . . . 60.8 mt -51.87 -44.52 63.73 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.243 -0.435 . . . . 75.42 110.916 179.913 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 12' ' ' PHE . . . . . . . . . . . . . 28.1 m-85 -73.95 -25.12 59.78 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.144 -0.48 . . . . 73.32 110.906 179.937 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 13' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -57.34 -39.36 75.76 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.17 -0.468 . . . . 74.41 110.859 -179.937 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' B' B ' 14' ' ' GLU . . . . . . . . . . . . . 10.4 mt-10 -75.13 -34.31 61.65 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.127 -0.488 . . . . 70.11 110.847 -179.87 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 15' ' ' TRP . . . . . . . . . . . . . 20.9 m0 -53.88 -48.18 70.34 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.207 -0.451 . . . . 63.21 110.9 -179.957 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 16' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -76.97 -24.78 52.29 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.248 -0.433 . . . . 74.4 110.909 179.939 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' B' B ' 17' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -70.98 -45.37 64.16 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.2 -0.455 . . . . 75.31 110.918 179.889 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' B' B ' 18' ' ' LEU . . . . . . . . . . . . . 3.5 mt -54.66 -26.62 34.38 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.161 -0.472 . . . . 72.33 110.961 179.836 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 19' ' ' ALA . . . . . . . . . . . . . . . -62.86 -30.26 71.37 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.203 -0.453 . . . . 73.22 111.09 179.841 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 20' ' ' GLU . . . . . . . . . . . . . 65.3 mt-10 -66.98 -49.38 65.55 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.179 -0.464 . . . . 72.41 110.887 -179.917 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 21' ' ' GLU . . . . . . . . . . . . . 2.4 mm-40 -74.14 -30.96 62.54 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.188 -0.46 . . . . 64.42 110.913 -179.931 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 22' ' ' ALA . . . . . . . . . . . . . . . -75.87 -30.77 58.97 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.116 -0.493 . . . . 72.52 111.116 179.928 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 23' ' ' ALA . . . . . . . . . . . . . . . -70.93 -51.96 22.85 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.152 -0.476 . . . . 75.01 111.01 179.976 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 24' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -62.04 -37.26 84.27 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.271 -0.422 . . . . 71.24 110.918 -179.99 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' B' B ' 25' ' ' LEU . . . . . . . . . . . . . 12.5 mt -76.82 -36.74 56.68 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.145 -0.48 . . . . 74.14 110.864 179.947 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 26' ' ' LEU . . . . . . . . . . . . . 2.0 mt -50.49 -47.49 57.16 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.151 -0.477 . . . . 74.52 110.97 179.919 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 27' ' ' GLU . . . . . . . . . . . . . 9.2 mt-10 -96.81 12.3 32.59 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.161 -0.472 . . . . 75.13 110.925 179.883 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 28' ' ' GLY . . . . . . . . . . . . . . . -59.8 -13.96 27.78 Favored Glycine 0 N--CA 1.451 -0.326 0 C-N-CA 120.782 -0.723 . . . . 40.42 112.487 -179.996 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 29' ' ' GLY . . . . . . . . . . . . . . . 145.5 50.1 0.03 OUTLIER Glycine 0 N--CA 1.452 -0.288 0 C-N-CA 120.696 -0.764 . . . . 74.23 112.482 -179.873 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 30' ' ' GLY . . . . . . . . . . . . . . . -114.02 -29.6 2.76 Favored Glycine 0 N--CA 1.451 -0.325 0 C-N-CA 120.682 -0.77 . . . . 75.22 112.502 -179.919 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 31' ' ' GLY . . . . . . . . . . . . . . . 157.51 -32.61 0.53 Allowed Glycine 0 N--CA 1.451 -0.339 0 C-N-CA 120.723 -0.751 . . . . 51.43 112.482 -179.982 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 32' ' ' GLY . . . . . . . . . . . . . . . 71.93 -134.72 22.16 Favored Glycine 0 N--CA 1.451 -0.316 0 C-N-CA 120.801 -0.714 . . . . 64.52 112.473 -179.879 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 33' ' ' GLY . . . . . . . . . . . . . . . 155.46 -69.02 0.29 Allowed Glycine 0 N--CA 1.451 -0.357 0 C-N-CA 120.768 -0.73 . . . . 63.24 112.506 -179.923 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 34' ' ' GLY . . . . . . . . . . . . . . . 85.28 56.09 2.48 Favored Glycine 0 N--CA 1.451 -0.301 0 C-N-CA 120.672 -0.775 . . . . 74.2 112.445 -179.938 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 35' ' ' GLY . . . . . . . . . . . . . . . -177.75 -138.39 3.04 Favored Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 120.76 -0.734 . . . . 74.21 112.556 -179.915 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 36' ' ' GLU . . . . . . . . . . . . . 1.6 pt-20 -65.96 -15.4 62.96 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-O 120.972 0.415 . . . . 74.01 110.928 -179.912 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 37' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -53.35 -59.13 4.97 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.165 -0.47 . . . . 75.13 110.92 -179.988 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' B' B ' 38' ' ' MET . . . . . . . . . . . . . 47.4 ttm -68.36 -30.07 68.93 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.206 -0.452 . . . . 74.22 110.919 179.792 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 39' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -57.13 -30.63 64.57 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.197 -0.456 . . . . 74.11 110.926 179.911 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' B' B ' 40' ' ' LEU . . . . . . . . . . . . . 27.0 mt -71.69 -42.88 66.89 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.24 -0.436 . . . . 74.04 110.909 179.96 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 41' ' ' CYS . . . . . . . . . . . . . 32.0 m -74.94 -29.33 60.91 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.195 -0.457 . . . . 54.21 110.936 179.873 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 42' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -66.37 -25.71 66.92 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.154 -0.476 . . . . 62.24 110.876 -179.827 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' B' B ' 43' ' ' GLU . . . . . . . . . . . . . 3.6 mm-40 -54.75 -34.63 62.8 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.092 -0.504 . . . . 75.32 110.859 -179.93 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 44' ' ' ALA . . . . . . . . . . . . . . . -51.91 -42.0 62.4 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.145 -0.48 . . . . 52.51 111.068 -179.972 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 45' ' ' ALA . . . . . . . . . . . . . . . -75.18 -22.9 57.72 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.222 -0.444 . . . . 70.02 111.135 179.939 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 46' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -74.44 -45.7 44.76 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.177 -0.465 . . . . 74.31 110.858 179.968 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' B' B ' 47' ' ' LYS . . . . . . . . . . . . . 37.1 mmtm -60.87 -53.67 54.51 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.219 -0.446 . . . . 72.42 110.954 179.86 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 48' ' ' ALA . . . . . . . . . . . . . . . -59.0 -49.12 79.12 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.188 -0.46 . . . . 63.03 111.102 179.824 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 49' ' ' GLU . . . . . . . . . . . . . 4.2 tp10 -57.9 -37.15 73.48 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.202 -0.454 . . . . 72.13 110.839 -179.953 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 50' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -73.77 -32.23 63.69 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.221 -0.445 . . . . 52.15 110.908 -179.88 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' B' B ' 51' ' ' LEU . . . . . . . . . . . . . 5.6 mt -72.41 -43.93 63.18 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.124 -0.489 . . . . 72.33 110.969 179.994 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 52' ' ' PHE . . . . . . . . . . . . . 20.9 t80 -54.12 -28.13 37.7 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.179 -0.464 . . . . 74.23 110.852 179.922 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 53' ' ' LYS . . . . . . . . . . . . . 23.6 mmtt -59.92 -44.76 94.12 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.253 -0.43 . . . . 61.32 110.846 179.936 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 54' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -68.69 -25.85 65.0 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.25 -0.432 . . . . 75.13 110.976 179.93 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' B' B ' 55' ' ' ALA . . . . . . . . . . . . . . . -53.22 -27.66 23.08 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.131 -0.486 . . . . 64.54 111.128 179.75 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 56' ' ' GLU . . . . . . . . . . . . . 6.0 tt0 -64.56 -45.95 84.86 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.181 -0.463 . . . . 73.41 110.906 -179.939 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 57' ' ' GLU . . . . . . . . . . . . . 25.0 tt0 -66.47 -37.83 85.98 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.124 -0.489 . . . . 70.41 110.879 -179.898 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 58' ' ' ARG . . . . . . . . . . . . . 3.1 mtp85 -78.08 -19.16 54.74 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.179 -0.464 . . . . 65.45 110.861 -179.916 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 59' ' ' LEU . . . . . . . . . . . . . 28.6 tp -100.06 -78.73 0.51 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.188 -0.46 . . . . 71.12 110.96 -179.961 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 60' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -95.23 -174.18 3.14 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.188 -0.46 . . . . 74.54 110.905 179.784 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' B' B ' 61' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -98.98 86.82 3.55 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 116.192 -0.458 . . . . 72.04 110.89 179.878 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' B' B ' 62' ' ' LEU . . . . . . . . . . . . . 1.5 tt . . . . . 0 C--N 1.328 -0.357 0 CA-C-N 116.188 -0.46 . . . . 75.32 110.9 179.905 . . . . . . . . 0 0 . 1 . 014 nuclear orig core ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 C--O 1.232 0.137 0 CA-C-O 120.817 0.341 . . . . 75.0 110.926 . . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -119.53 -30.12 4.92 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.255 -0.43 . . . . 63.13 110.935 179.87 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -176.45 -31.7 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.176 -0.465 . . . . 72.13 110.914 179.896 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 37.1 mtt180 -51.4 -27.58 10.41 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.241 -0.436 . . . . 74.22 110.828 179.965 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -52.53 -26.62 13.69 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.277 -0.42 . . . . 74.25 110.878 -179.921 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 1.5 mm-40 -53.04 -36.08 60.18 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.177 -0.465 . . . . 74.34 110.866 -179.924 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -76.24 -26.98 56.56 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.108 -0.496 . . . . 75.14 111.067 179.988 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -60.82 -41.0 94.86 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.3 -0.409 . . . . 71.32 111.084 179.926 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 17.2 mtpt -55.8 -34.36 65.25 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.263 -0.426 . . . . 73.31 110.909 179.94 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 33.7 mt -52.2 -42.91 63.9 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.237 -0.438 . . . . 71.34 110.907 179.921 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 22.8 m-85 -73.99 -26.32 60.4 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.181 -0.463 . . . . 73.34 110.926 179.937 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -62.25 -48.49 79.69 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.127 -0.488 . . . . 72.3 110.977 -179.991 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 6.2 mt-10 -75.08 -27.59 59.99 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.132 -0.485 . . . . 73.1 110.857 -179.946 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 15' ' ' TRP . . . . . . . . . . . . . 0.0 OUTLIER -56.33 -55.74 29.73 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.181 -0.463 . . . . 64.05 110.904 -179.94 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 2.8 ptmt -68.92 -22.33 64.16 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.223 -0.444 . . . . 74.53 110.993 179.901 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 1.9 tttt -75.03 -43.97 50.58 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.154 -0.476 . . . . 64.54 110.908 179.834 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 3.6 mt -57.2 -23.96 51.27 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.236 -0.438 . . . . 74.54 110.895 179.941 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -72.07 -10.05 59.24 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.237 -0.438 . . . . 73.21 111.084 179.836 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 1.4 tp10 -68.77 -49.54 57.82 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.162 -0.472 . . . . 71.25 110.89 -179.908 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -53.52 -34.2 57.27 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.193 -0.458 . . . . 73.35 110.857 -179.893 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -77.42 -31.74 54.2 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.141 -0.481 . . . . 74.4 111.062 179.952 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -72.1 -46.04 58.31 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.187 -0.461 . . . . 73.41 111.155 179.941 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -67.65 -36.76 81.35 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.222 -0.445 . . . . 74.35 110.828 -179.978 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 13.0 mt -76.77 -38.32 54.29 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.248 -0.433 . . . . 75.45 110.91 179.957 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 1.3 mt -50.45 -45.91 56.29 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.169 -0.469 . . . . 74.33 110.87 179.943 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 1.1 mt-10 -98.96 12.38 36.1 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.187 -0.461 . . . . 74.32 110.873 179.939 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . -59.47 -14.26 26.8 Favored Glycine 0 N--CA 1.451 -0.32 0 C-N-CA 120.769 -0.729 . . . . 75.45 112.532 179.976 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . 137.43 43.56 0.09 OUTLIER Glycine 0 N--CA 1.451 -0.356 0 C-N-CA 120.742 -0.742 . . . . 53.15 112.485 -179.94 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . -171.04 57.9 0.18 Allowed Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 120.777 -0.725 . . . . 75.22 112.495 -179.914 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . -174.49 -120.64 0.59 Allowed Glycine 0 N--CA 1.451 -0.304 0 C-N-CA 120.807 -0.711 . . . . 73.04 112.474 -179.907 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . 59.8 29.01 66.61 Favored Glycine 0 N--CA 1.452 -0.286 0 C-N-CA 120.706 -0.759 . . . . 73.23 112.493 -179.89 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -78.07 58.88 3.95 Favored Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 120.774 -0.727 . . . . 72.44 112.518 -179.906 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 95.1 -19.23 55.15 Favored Glycine 0 N--CA 1.451 -0.302 0 C-N-CA 120.726 -0.75 . . . . 60.54 112.49 -179.899 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 97.14 -18.81 56.84 Favored Glycine 0 N--CA 1.452 -0.258 0 C-N-CA 120.775 -0.726 . . . . 71.42 112.501 -179.862 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 35.8 tt0 -56.31 -35.58 67.72 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-O 120.932 0.396 . . . . 71.01 110.918 -179.843 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 30.5 tp -56.93 -47.97 79.36 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.118 -0.492 . . . . 73.23 110.97 179.985 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 38' ' ' MET . . . . . . . . . . . . . 19.2 ttm -66.79 -31.25 71.77 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.132 -0.485 . . . . 74.44 110.878 179.816 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 9.4 tttt -61.09 -27.93 68.72 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.208 -0.451 . . . . 75.42 110.896 179.956 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 32.4 mt -67.6 -60.12 2.8 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.189 -0.459 . . . . 62.03 110.942 179.899 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 41' ' ' CYS . . . . . . . . . . . . . 16.0 p -60.66 -25.42 66.33 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.152 -0.476 . . . . 72.12 110.941 179.912 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 59.5 tt0 -61.78 -25.05 67.24 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.114 -0.494 . . . . 61.41 110.912 -179.885 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 2.1 mm-40 -54.48 -36.37 64.08 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.175 -0.466 . . . . 72.41 110.892 -179.984 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -51.31 -45.25 62.15 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.23 -0.441 . . . . 74.15 111.051 179.953 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -75.36 -22.65 57.38 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.2 -0.455 . . . . 61.43 111.14 179.909 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -76.09 -49.83 16.36 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.19 -0.459 . . . . 75.1 110.897 -179.962 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 10.6 mmpt? -65.86 -39.54 90.83 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.167 -0.469 . . . . 73.45 110.867 179.904 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -67.84 -45.84 73.5 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.288 -0.414 . . . . 73.54 111.05 179.839 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 4.6 tp10 -72.15 -27.96 62.93 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.2 -0.455 . . . . 74.53 110.849 -179.881 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 6.3 tt0 -71.23 -49.87 38.84 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.25 -0.432 . . . . 75.31 110.86 -179.958 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 4.4 pp -72.67 -33.64 66.68 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.228 -0.442 . . . . 75.25 110.963 179.982 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 52' ' ' PHE . . . . . . . . . . . . . 70.8 t80 -62.86 -29.2 70.57 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.17 -0.468 . . . . 74.32 110.892 179.91 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 7.0 mmtp -59.44 -57.94 10.77 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.136 -0.484 . . . . 75.42 110.887 179.971 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 54' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -75.3 -41.47 56.89 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.196 -0.456 . . . . 75.24 110.902 179.964 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -61.66 -25.07 67.15 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.254 -0.43 . . . . 74.41 111.084 179.804 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 3.6 tt0 -52.75 -25.22 10.55 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.257 -0.429 . . . . 73.12 110.87 -179.943 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 17.2 tt0 -76.57 -55.4 5.56 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.11 -0.495 . . . . 64.0 110.899 -179.96 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 58' ' ' ARG . . . . . 0.419 ' HD3' ' N ' ' A' ' 59' ' ' LEU . 0.0 OUTLIER -68.93 -10.95 59.96 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.189 -0.459 . . . . 71.2 110.922 -179.933 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 59' ' ' LEU . . . . . 0.419 ' N ' ' HD3' ' A' ' 58' ' ' ARG . 11.6 mt -100.87 -64.01 1.08 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.133 -0.485 . . . . 74.52 110.957 179.955 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 13.9 mmtp -88.92 -68.6 0.76 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.145 -0.48 . . . . 73.31 110.859 179.875 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 1.9 tmtt? 179.61 -60.03 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.25 -0.432 . . . . 75.51 110.873 179.858 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER . . . . . 0 C--N 1.329 -0.318 0 CA-C-N 116.213 -0.449 . . . . 75.4 110.89 179.902 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 1' ' ' MET . . . . . . . . . . . . . 3.7 ptt? . . . . . 0 C--O 1.231 0.091 0 CA-C-O 120.842 0.353 . . . . 54.35 110.857 . . . . . . . . . 0 0 . 1 . 014 nuclear orig core ' B' B ' 2' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -51.79 141.37 17.26 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.204 -0.453 . . . . 73.44 110.895 179.892 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' B' B ' 3' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -118.75 -28.94 5.49 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.179 -0.464 . . . . 74.33 110.867 179.832 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' B' B ' 4' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -176.49 -31.76 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.229 -0.441 . . . . 72.41 110.862 179.921 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' B' B ' 5' ' ' ARG . . . . . . . . . . . . . 37.3 mtt180 -51.31 -27.63 10.01 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.248 -0.433 . . . . 73.53 110.854 179.92 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 6' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -52.5 -26.43 13.01 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.233 -0.439 . . . . 64.5 110.854 -179.865 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' B' B ' 7' ' ' GLU . . . . . . . . . . . . . 1.5 mm-40 -52.94 -34.28 54.76 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.106 -0.497 . . . . 73.51 110.885 -179.946 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 8' ' ' ALA . . . . . . . . . . . . . . . -76.05 -27.97 57.47 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.129 -0.487 . . . . 71.34 111.074 179.961 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 9' ' ' ALA . . . . . . . . . . . . . . . -60.51 -40.2 90.57 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.295 -0.412 . . . . 72.52 111.078 179.979 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 10' ' ' LYS . . . . . . . . . . . . . 17.2 mtpt -55.76 -34.33 65.12 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.141 -0.481 . . . . 74.15 110.948 179.973 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 11' ' ' LEU . . . . . . . . . . . . . 32.4 mt -52.62 -42.98 65.1 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.257 -0.429 . . . . 72.44 110.931 179.879 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 12' ' ' PHE . . . . . . . . . . . . . 18.1 m-85 -74.16 -24.61 59.42 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.192 -0.458 . . . . 75.42 110.893 179.882 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 13' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -53.71 -38.04 63.87 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.214 -0.448 . . . . 73.14 110.885 -179.924 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' B' B ' 14' ' ' GLU . . . . . . . . . . . . . 5.4 mt-10 -66.23 -26.59 67.44 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.113 -0.494 . . . . 73.22 110.851 -179.894 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 15' ' ' TRP . . . . . . . . . . . . . 3.2 t90 -63.07 -56.2 18.99 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.169 -0.469 . . . . 73.12 110.945 179.998 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 16' ' ' LYS . . . . . . . . . . . . . 2.8 ptmt -71.19 -25.43 62.52 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.261 -0.427 . . . . 75.35 110.925 179.908 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 17' ' ' LYS . . . . . . . . . . . . . 4.0 tttt -75.15 -62.71 1.46 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.187 -0.46 . . . . 75.52 110.858 179.909 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 18' ' ' LEU . . . . . . . . . . . . . 3.3 mt -57.95 -24.46 58.06 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.241 -0.436 . . . . 71.31 110.926 179.935 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 19' ' ' ALA . . . . . . . . . . . . . . . -73.85 -10.06 59.28 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.223 -0.444 . . . . 75.34 111.133 179.76 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 20' ' ' GLU . . . . . . . . . . . . . 1.4 tp10 -72.97 -49.45 29.07 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.226 -0.443 . . . . 73.44 110.88 -179.875 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 21' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -53.57 -34.22 57.53 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.162 -0.472 . . . . 73.12 110.875 -179.946 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' B' B ' 22' ' ' ALA . . . . . . . . . . . . . . . -77.78 -32.02 52.28 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.163 -0.472 . . . . 64.34 111.123 179.869 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 23' ' ' ALA . . . . . . . . . . . . . . . -71.23 -46.52 60.95 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.236 -0.438 . . . . 51.42 111.099 179.899 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 24' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -67.44 -36.91 82.14 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.183 -0.462 . . . . 74.55 110.943 179.969 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' B' B ' 25' ' ' LEU . . . . . . . . . . . . . 13.5 mt -76.76 -37.64 55.54 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.236 -0.438 . . . . 75.42 110.907 179.894 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 26' ' ' LEU . . . . . . . . . . . . . 1.2 mt -50.37 -47.24 56.23 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.19 -0.459 . . . . 74.5 110.965 179.877 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 27' ' ' GLU . . . . . . . . . . . . . 1.1 mt-10 -100.01 12.32 37.14 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.157 -0.474 . . . . 73.31 110.872 179.962 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 28' ' ' GLY . . . . . . . . . . . . . . . -59.34 -14.5 26.97 Favored Glycine 0 N--CA 1.451 -0.333 0 C-N-CA 120.805 -0.712 . . . . 71.24 112.506 179.977 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 29' ' ' GLY . . . . . . . . . . . . . . . 135.04 43.79 0.11 Allowed Glycine 0 N--CA 1.451 -0.326 0 C-N-CA 120.774 -0.727 . . . . 64.04 112.5 -179.911 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 30' ' ' GLY . . . . . . . . . . . . . . . -170.81 62.47 0.17 Allowed Glycine 0 N--CA 1.45 -0.383 0 C-N-CA 120.723 -0.751 . . . . 74.13 112.478 -179.957 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 31' ' ' GLY . . . . . . . . . . . . . . . -171.61 -125.4 0.82 Allowed Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.682 -0.77 . . . . 64.14 112.408 -179.89 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 32' ' ' GLY . . . . . . . . . . . . . . . 56.48 27.97 54.93 Favored Glycine 0 N--CA 1.452 -0.287 0 C-N-CA 120.731 -0.747 . . . . 73.5 112.483 -179.925 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 33' ' ' GLY . . . . . . . . . . . . . . . -79.02 57.67 4.33 Favored Glycine 0 N--CA 1.451 -0.34 0 C-N-CA 120.748 -0.739 . . . . 71.11 112.5 -179.89 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 34' ' ' GLY . . . . . . . . . . . . . . . 92.72 -21.55 38.37 Favored Glycine 0 N--CA 1.451 -0.306 0 C-N-CA 120.72 -0.753 . . . . 73.05 112.489 -179.893 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 35' ' ' GLY . . . . . . . . . . . . . . . 95.9 -20.61 49.14 Favored Glycine 0 N--CA 1.45 -0.405 0 C-N-CA 120.805 -0.712 . . . . 75.53 112.482 -179.922 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 36' ' ' GLU . . . . . . . . . . . . . 35.7 tt0 -58.0 -39.28 77.89 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-O 120.867 0.365 . . . . 73.13 110.93 -179.886 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 37' ' ' LEU . . . . . . . . . . . . . 14.1 tp -59.54 -48.3 82.17 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.186 -0.461 . . . . 74.0 110.873 -179.998 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 38' ' ' MET . . . . . . . . . . . . . 25.6 ttm -66.15 -32.49 73.96 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.171 -0.468 . . . . 73.34 110.853 179.903 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 39' ' ' LYS . . . . . . . . . . . . . 9.4 tttt -58.37 -30.97 67.2 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.225 -0.443 . . . . 74.31 110.901 179.898 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 40' ' ' LEU . . . . . . . . . . . . . 24.9 mt -67.65 -60.53 2.47 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 116.194 -0.457 . . . . 74.51 110.887 179.961 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 41' ' ' CYS . . . . . . . . . . . . . 18.6 p -64.79 -24.15 67.46 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.201 -0.454 . . . . 74.24 110.895 179.916 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 42' ' ' GLU . . . . . . . . . . . . . 59.7 tt0 -66.43 -25.76 66.9 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.242 -0.436 . . . . 65.42 110.89 -179.881 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 43' ' ' GLU . . . . . . . . . . . . . 1.9 mm-40 -54.65 -44.57 73.37 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.063 -0.517 . . . . 74.14 110.846 -179.919 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 44' ' ' ALA . . . . . . . . . . . . . . . -51.43 -43.97 62.18 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.151 -0.477 . . . . 53.41 111.151 179.993 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 45' ' ' ALA . . . . . . . . . . . . . . . -75.73 -22.46 56.54 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.159 -0.473 . . . . 54.54 111.058 179.924 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 46' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -76.14 -48.49 20.4 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.297 -0.41 . . . . 74.4 110.902 179.987 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' B' B ' 47' ' ' LYS . . . . . . . . . . . . . 10.6 mmpt? -61.83 -38.73 89.28 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.183 -0.462 . . . . 74.14 110.9 179.835 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 48' ' ' ALA . . . . . . . . . . . . . . . -68.81 -45.07 72.21 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.189 -0.459 . . . . 65.51 111.142 179.788 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 49' ' ' GLU . . . . . . . . . . . . . 4.6 tp10 -70.51 -28.03 64.65 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.291 -0.413 . . . . 74.24 110.84 -179.94 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 50' ' ' GLU . . . . . . . . . . . . . 6.3 tt0 -73.21 -48.73 32.62 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.189 -0.46 . . . . 72.31 110.898 -179.862 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 51' ' ' LEU . . . . . . . . . . . . . 4.4 pp -71.17 -33.05 69.65 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.103 -0.499 . . . . 63.24 110.887 -179.979 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 52' ' ' PHE . . . . . . . . . . . . . 69.8 t80 -64.56 -29.55 70.57 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 121.031 0.443 . . . . 75.04 110.932 179.901 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 53' ' ' LYS . . . . . . . . . . . . . 7.8 mmtp -60.7 -55.86 28.19 Favored 'General case' 0 C--N 1.33 -0.283 0 CA-C-N 116.205 -0.452 . . . . 75.04 110.89 179.921 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 54' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -75.17 -41.54 57.82 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.244 -0.434 . . . . 73.43 110.887 179.98 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' B' B ' 55' ' ' ALA . . . . . . . . . . . . . . . -62.69 -25.14 68.01 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.182 -0.463 . . . . 71.5 111.058 179.836 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 56' ' ' GLU . . . . . . . . . . . . . 3.9 tt0 -53.33 -25.2 14.2 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.202 -0.453 . . . . 63.12 110.902 -179.917 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 57' ' ' GLU . . . . . . . . . . . . . 18.0 tt0 -76.36 -55.4 5.59 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.153 -0.476 . . . . 74.22 110.861 -179.9 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 58' ' ' ARG . . . . . 0.417 ' HD3' ' N ' ' B' ' 59' ' ' LEU . 0.0 OUTLIER -68.54 -11.06 59.4 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.174 -0.466 . . . . 75.14 110.878 -179.915 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' B' B ' 59' ' ' LEU . . . . . 0.417 ' N ' ' HD3' ' B' ' 58' ' ' ARG . 11.6 mt -100.63 -64.43 1.05 Allowed 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 116.192 -0.458 . . . . 74.11 110.986 179.997 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' B' B ' 60' ' ' LYS . . . . . . . . . . . . . 13.0 mmtp -88.64 -68.55 0.76 Allowed 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.197 -0.456 . . . . 75.35 110.927 179.82 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 61' ' ' LYS . . . . . . . . . . . . . 2.0 tmtt? 179.61 -60.28 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.167 -0.47 . . . . 74.41 110.906 179.815 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 62' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER . . . . . 0 C--N 1.329 -0.312 0 CA-C-N 116.194 -0.457 . . . . 64.42 110.887 179.927 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.231 0.124 0 CA-C-O 120.838 0.351 . . . . 73.51 110.897 . . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -145.06 -74.89 0.23 Allowed 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.222 -0.444 . . . . 75.33 110.931 179.879 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -140.93 4.74 1.9 Allowed 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.227 -0.442 . . . . 74.12 110.906 179.931 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 3.5 mtt-85 -72.01 -30.45 65.24 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.188 -0.46 . . . . 75.32 110.846 179.956 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -55.29 -26.63 41.53 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.211 -0.45 . . . . 74.44 110.918 -179.968 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 18.5 pt-20 -53.74 -32.17 51.21 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.117 -0.492 . . . . 74.21 110.89 -179.924 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -74.9 -28.27 60.56 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.165 -0.471 . . . . 62.32 111.123 179.918 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -74.2 -38.0 63.73 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.194 -0.457 . . . . 72.31 111.102 179.922 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 1.6 mtpt -62.37 -30.45 71.2 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.28 -0.418 . . . . 70.15 110.896 179.957 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 60.4 mt -51.92 -44.66 63.95 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.222 -0.444 . . . . 73.54 110.885 179.925 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 22.5 m-85 -74.09 -27.07 60.71 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.232 -0.44 . . . . 73.4 110.891 179.891 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -54.01 -33.11 56.27 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.202 -0.453 . . . . 73.14 110.842 -179.886 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 12.4 mt-10 -69.22 -35.7 76.45 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.172 -0.467 . . . . 74.1 110.926 -179.962 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 15' ' ' TRP . . . . . . . . . . . . . 4.2 t90 -64.74 -43.82 92.1 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.202 -0.454 . . . . 74.45 110.905 -179.985 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 5.3 ptmt -77.25 -28.17 53.5 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.286 -0.416 . . . . 72.23 110.879 179.918 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 19.3 mmtt -74.97 -54.62 6.88 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.187 -0.461 . . . . 72.42 110.921 179.904 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 21.6 mt -54.78 -33.61 61.6 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.192 -0.458 . . . . 72.11 110.952 179.904 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -65.94 -26.85 67.77 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.189 -0.46 . . . . 74.04 111.085 179.829 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 1.4 tp10 -73.48 -49.4 26.91 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.206 -0.452 . . . . 70.25 110.923 -179.961 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 2.0 mm-40 -73.07 -49.65 27.39 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.164 -0.471 . . . . 60.02 110.906 -179.957 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -55.6 -30.67 61.3 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.162 -0.472 . . . . 73.05 111.161 179.907 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -71.1 -54.26 11.72 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.183 -0.462 . . . . 75.2 111.084 179.958 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 1.4 ptpp? -63.06 -34.47 77.65 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.255 -0.429 . . . . 75.52 110.871 179.981 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 6.4 mt -76.79 -39.18 52.38 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.265 -0.425 . . . . 73.24 110.897 179.95 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 2.8 mt -50.69 -49.32 57.7 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.169 -0.469 . . . . 72.42 110.945 179.893 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 23.9 mt-10 -91.39 13.19 18.19 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.233 -0.44 . . . . 73.41 110.847 179.939 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . -73.9 60.51 2.15 Favored Glycine 0 N--CA 1.451 -0.336 0 C-N-CA 120.778 -0.725 . . . . 52.1 112.534 179.989 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . 51.71 39.82 47.32 Favored Glycine 0 N--CA 1.451 -0.339 0 C-N-CA 120.777 -0.725 . . . . 51.12 112.468 -179.911 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . -90.29 -51.21 2.8 Favored Glycine 0 N--CA 1.45 -0.38 0 C-N-CA 120.711 -0.757 . . . . 72.44 112.539 -179.921 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . -158.84 -47.6 0.01 OUTLIER Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 120.736 -0.745 . . . . 51.02 112.438 -179.924 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . -173.49 -110.75 0.25 Allowed Glycine 0 N--CA 1.451 -0.316 0 C-N-CA 120.753 -0.737 . . . . 72.24 112.517 -179.921 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . 74.32 116.65 0.09 OUTLIER Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 120.693 -0.765 . . . . 43.54 112.541 -179.854 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 169.49 85.16 0.06 OUTLIER Glycine 0 N--CA 1.451 -0.341 0 C-N-CA 120.706 -0.759 . . . . 74.33 112.458 -179.874 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 143.59 -132.52 4.98 Favored Glycine 0 N--CA 1.452 -0.285 0 C-N-CA 120.691 -0.766 . . . . 74.33 112.485 -179.865 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -71.09 -35.79 71.97 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-O 120.849 0.356 . . . . 72.43 110.849 -179.842 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 13.1 tp -52.39 -56.67 13.4 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.146 -0.479 . . . . 74.42 110.934 179.992 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 38' ' ' MET . . . . . . . . . . . . . 1.0 OUTLIER -70.54 -25.56 63.16 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.16 -0.473 . . . . 62.2 110.892 179.844 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 6.3 tttp -54.12 -28.09 37.51 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.279 -0.419 . . . . 75.24 110.885 179.943 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 13.1 mt -70.46 -31.34 68.45 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.211 -0.449 . . . . 63.55 110.911 179.921 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 41' ' ' CYS . . . . . . . . . . . . . 19.0 m -75.04 -45.42 41.75 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.165 -0.47 . . . . 72.2 110.872 179.92 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 4.6 tt0 -56.69 -25.66 54.68 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.248 -0.433 . . . . 71.53 110.868 -179.846 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 4.7 mm-40 -54.71 -33.97 61.73 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.196 -0.456 . . . . 73.52 110.9 -179.92 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -51.61 -42.11 61.75 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.171 -0.468 . . . . 72.41 111.106 179.897 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -75.27 -22.85 57.49 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.157 -0.474 . . . . 73.42 111.095 179.95 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -74.49 -47.89 30.53 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.223 -0.444 . . . . 75.14 110.921 179.932 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 1.1 mptp? -59.82 -57.18 14.03 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.182 -0.463 . . . . 75.55 110.852 179.908 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -51.91 -34.89 43.51 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.282 -0.417 . . . . 70.31 111.042 179.839 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 4.0 tt0 -65.13 -44.33 89.03 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.199 -0.455 . . . . 75.41 110.9 -179.865 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 17.9 mm-40 -74.07 -35.13 64.23 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.125 -0.489 . . . . 72.3 110.901 -179.918 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 9.2 mt -72.64 -34.1 67.05 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.116 -0.493 . . . . 74.33 110.862 -179.959 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 52' ' ' PHE . . . . . . . . . . . . . 84.2 t80 -55.69 -27.98 53.16 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.152 -0.476 . . . . 75.2 110.897 179.953 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -53.48 -46.76 70.1 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.167 -0.469 . . . . 74.23 110.949 179.942 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 54' ' ' LEU . . . . . . . . . . . . . 1.6 mm? -71.89 -29.39 64.29 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.212 -0.449 . . . . 62.33 110.88 179.891 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -54.24 -28.67 42.96 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.158 -0.474 . . . . 75.51 111.133 179.836 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 3.2 mm-40 -77.14 -31.29 55.58 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.237 -0.438 . . . . 74.4 110.878 -179.919 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -60.78 -44.54 96.65 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.159 -0.473 . . . . 74.23 110.935 -179.971 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -79.29 -25.62 42.4 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.136 -0.484 . . . . 73.21 110.901 -179.964 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 59' ' ' LEU . . . . . . . . . . . . . 3.4 tm? -84.03 -73.64 0.41 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.117 -0.492 . . . . 74.32 110.926 -179.999 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -103.49 -174.85 2.64 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.174 -0.466 . . . . 75.15 110.909 179.831 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 8.1 ttpt -98.62 -25.52 14.69 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.214 -0.448 . . . . 74.53 110.915 179.858 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER . . . . . 0 C--N 1.328 -0.356 0 CA-C-N 116.219 -0.446 . . . . 74.05 110.904 179.894 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 1' ' ' MET . . . . . . . . . . . . . 11.1 ttp . . . . . 0 C--O 1.231 0.083 0 CA-C-O 120.901 0.381 . . . . 74.42 110.865 . . . . . . . . . 0 0 . 1 . 015 nuclear orig core ' B' B ' 2' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -114.24 -74.4 0.62 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.162 -0.472 . . . . 74.33 110.847 179.969 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' B' B ' 3' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -146.06 -74.58 0.22 Allowed 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.311 -0.404 . . . . 75.12 110.9 179.902 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' B' B ' 4' ' ' LEU . . . . . 0.4 ' CD2' ' O ' ' B' ' 4' ' ' LEU . 0.0 OUTLIER -140.71 4.86 1.95 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.25 -0.432 . . . . 72.3 110.877 179.946 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' B' B ' 5' ' ' ARG . . . . . . . . . . . . . 3.5 mtt-85 -72.04 -29.88 64.62 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.195 -0.457 . . . . 75.31 110.828 179.973 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 6' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -54.88 -26.96 39.11 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.219 -0.446 . . . . 75.33 110.867 -179.964 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' B' B ' 7' ' ' GLU . . . . . . . . . . . . . 18.8 pt-20 -54.01 -32.61 54.76 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.107 -0.497 . . . . 73.33 110.869 -179.913 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 8' ' ' ALA . . . . . . . . . . . . . . . -74.74 -26.81 60.04 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.151 -0.477 . . . . 72.44 111.092 179.92 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 9' ' ' ALA . . . . . . . . . . . . . . . -73.6 -38.96 64.94 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.265 -0.425 . . . . 72.04 111.122 179.955 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 10' ' ' LYS . . . . . . . . . . . . . 1.6 mtpt -63.11 -29.81 71.1 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.176 -0.465 . . . . 72.11 110.906 179.933 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 11' ' ' LEU . . . . . . . . . . . . . 61.0 mt -51.67 -44.11 62.93 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.252 -0.431 . . . . 74.25 110.957 179.872 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 12' ' ' PHE . . . . . . . . . . . . . 25.3 m-85 -74.21 -30.5 62.23 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.191 -0.459 . . . . 74.13 110.91 179.873 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 13' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -57.89 -42.21 84.16 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.134 -0.485 . . . . 73.21 110.912 -179.949 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' B' B ' 14' ' ' GLU . . . . . . . . . . . . . 12.7 mt-10 -75.22 -29.99 60.44 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.142 -0.481 . . . . 74.25 110.83 -179.93 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 15' ' ' TRP . . . . . . . . . . . . . 1.3 m0 -60.98 -46.15 91.93 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.216 -0.447 . . . . 73.53 110.947 -179.922 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 16' ' ' LYS . . . . . . . . . . . . . 5.1 ptmt -77.11 -25.32 52.05 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.222 -0.444 . . . . 74.42 110.852 179.901 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 17' ' ' LYS . . . . . . . . . . . . . 18.0 mmtt -71.7 -52.37 18.15 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.278 -0.419 . . . . 74.43 110.896 179.936 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 18' ' ' LEU . . . . . . . . . . . . . 19.7 mt -55.16 -32.62 62.28 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.236 -0.438 . . . . 74.31 110.928 179.889 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 19' ' ' ALA . . . . . . . . . . . . . . . -62.86 -21.86 66.28 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.219 -0.446 . . . . 71.44 111.178 179.75 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 20' ' ' GLU . . . . . . . . . . . . . 1.4 tp10 -73.02 -49.43 28.85 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.182 -0.463 . . . . 65.53 110.95 -179.973 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 21' ' ' GLU . . . . . . . . . . . . . 2.0 mm-40 -72.27 -49.21 36.6 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.118 -0.492 . . . . 74.23 110.925 -179.947 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 22' ' ' ALA . . . . . . . . . . . . . . . -56.39 -30.92 63.34 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.065 -0.516 . . . . 70.12 111.163 179.873 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 23' ' ' ALA . . . . . . . . . . . . . . . -70.96 -54.22 12.08 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.186 -0.461 . . . . 62.45 111.033 179.937 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 24' ' ' LYS . . . . . . . . . . . . . 1.4 ptpp? -62.74 -34.97 78.3 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.253 -0.43 . . . . 75.42 110.889 -179.996 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 25' ' ' LEU . . . . . . . . . . . . . 6.7 mt -76.51 -39.06 54.14 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.249 -0.432 . . . . 71.55 110.974 179.885 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 26' ' ' LEU . . . . . . . . . . . . . 2.7 mt -50.72 -49.07 58.57 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.173 -0.467 . . . . 71.12 110.915 179.92 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 27' ' ' GLU . . . . . . . . . . . . . 23.9 mt-10 -91.37 13.09 18.44 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.236 -0.438 . . . . 75.31 110.912 179.893 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 28' ' ' GLY . . . . . . . . . . . . . . . -73.9 60.62 2.15 Favored Glycine 0 N--CA 1.451 -0.332 0 C-N-CA 120.696 -0.764 . . . . 75.24 112.573 -179.958 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 29' ' ' GLY . . . . . . . . . . . . . . . 52.03 39.7 49.64 Favored Glycine 0 N--CA 1.451 -0.352 0 C-N-CA 120.704 -0.76 . . . . 54.24 112.467 -179.974 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 30' ' ' GLY . . . . . . . . . . . . . . . -90.34 -48.89 3.39 Favored Glycine 0 N--CA 1.451 -0.33 0 C-N-CA 120.8 -0.714 . . . . 62.44 112.469 -179.838 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 31' ' ' GLY . . . . . . . . . . . . . . . -156.67 -46.42 0.01 OUTLIER Glycine 0 N--CA 1.452 -0.296 0 C-N-CA 120.699 -0.763 . . . . 64.23 112.454 -179.93 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 32' ' ' GLY . . . . . . . . . . . . . . . -172.82 -111.92 0.27 Allowed Glycine 0 N--CA 1.451 -0.325 0 C-N-CA 120.694 -0.765 . . . . 74.23 112.445 -179.884 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 33' ' ' GLY . . . . . . . . . . . . . . . 73.46 116.84 0.07 OUTLIER Glycine 0 N--CA 1.451 -0.33 0 C-N-CA 120.753 -0.737 . . . . 72.42 112.562 -179.856 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 34' ' ' GLY . . . . . . . . . . . . . . . 169.57 84.53 0.06 OUTLIER Glycine 0 N--CA 1.451 -0.348 0 C-N-CA 120.758 -0.734 . . . . 71.55 112.469 -179.83 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 35' ' ' GLY . . . . . . . . . . . . . . . 142.72 -132.1 4.93 Favored Glycine 0 N--CA 1.45 -0.385 0 C-N-CA 120.726 -0.75 . . . . 62.22 112.431 -179.951 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 36' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -70.71 -34.74 72.26 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-O 120.917 0.389 . . . . 74.04 110.877 -179.837 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' B' B ' 37' ' ' LEU . . . . . . . . . . . . . 13.1 tp -52.08 -55.06 23.14 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.12 -0.491 . . . . 73.35 110.939 179.995 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 38' ' ' MET . . . . . . . . . . . . . 1.0 OUTLIER -69.72 -26.37 64.3 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.187 -0.46 . . . . 71.43 110.931 179.818 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' B' B ' 39' ' ' LYS . . . . . . . . . . . . . 6.2 tttp -55.19 -29.02 57.06 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.2 -0.454 . . . . 73.43 110.884 179.871 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 40' ' ' LEU . . . . . . . . . . . . . 13.3 mt -72.27 -26.76 62.11 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.223 -0.444 . . . . 73.21 110.966 179.962 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 41' ' ' CYS . . . . . . . . . . . . . 13.5 m -75.26 -43.58 50.61 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.187 -0.46 . . . . 74.02 110.839 179.873 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 42' ' ' GLU . . . . . . . . . . . . . 4.6 tt0 -55.69 -25.3 39.13 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.22 -0.445 . . . . 74.34 110.837 -179.842 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 43' ' ' GLU . . . . . . . . . . . . . 4.5 mm-40 -54.38 -33.41 59.16 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.154 -0.475 . . . . 74.41 110.851 -179.851 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 44' ' ' ALA . . . . . . . . . . . . . . . -51.41 -42.52 61.52 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.153 -0.476 . . . . 73.33 111.051 179.961 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 45' ' ' ALA . . . . . . . . . . . . . . . -75.47 -22.94 56.84 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.257 -0.429 . . . . 64.3 111.108 179.976 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 46' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -78.04 -49.51 13.87 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.25 -0.432 . . . . 75.25 110.961 179.919 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' B' B ' 47' ' ' LYS . . . . . . . . . . . . . 1.1 mptp? -55.73 -61.17 2.54 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.263 -0.426 . . . . 74.11 110.822 179.835 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 48' ' ' ALA . . . . . . . . . . . . . . . -54.62 -34.33 61.92 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.294 -0.412 . . . . 71.21 111.142 179.859 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 49' ' ' GLU . . . . . . . . . . . . . 3.9 tt0 -66.89 -43.0 84.58 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.215 -0.448 . . . . 71.12 110.823 -179.864 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 50' ' ' GLU . . . . . . . . . . . . . 18.0 mm-40 -73.03 -36.16 66.91 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.191 -0.459 . . . . 74.45 110.852 -179.911 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 51' ' ' LEU . . . . . . . . . . . . . 7.6 mt -72.97 -30.57 63.93 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.222 -0.445 . . . . 65.33 110.965 179.977 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 52' ' ' PHE . . . . . . . . . . . . . 82.1 t80 -57.12 -23.91 50.39 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.173 -0.467 . . . . 75.52 110.887 179.943 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 53' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -66.43 -47.94 71.59 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.178 -0.465 . . . . 75.3 110.961 179.912 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' B' B ' 54' ' ' LEU . . . . . . . . . . . . . 1.3 mm? -69.29 -25.59 64.32 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.259 -0.428 . . . . 74.33 110.932 179.864 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 55' ' ' ALA . . . . . . . . . . . . . . . -55.35 -26.95 44.06 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.207 -0.451 . . . . 75.11 111.078 179.762 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 56' ' ' GLU . . . . . . . . . . . . . 3.2 mm-40 -76.46 -30.85 57.49 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.205 -0.452 . . . . 74.32 110.872 -179.895 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 57' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -60.57 -44.62 95.99 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.168 -0.469 . . . . 73.54 110.872 -179.931 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' B' B ' 58' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -79.39 -25.67 42.1 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.154 -0.475 . . . . 64.21 110.857 -179.899 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' B' B ' 59' ' ' LEU . . . . . . . . . . . . . 3.4 tm? -83.93 -73.36 0.42 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.19 -0.459 . . . . 74.42 110.933 -179.942 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 60' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -103.66 -174.77 2.62 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.165 -0.47 . . . . 70.05 110.848 179.839 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' B' B ' 61' ' ' LYS . . . . . . . . . . . . . 8.1 ttpt -98.33 -25.45 14.83 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.203 -0.453 . . . . 74.04 110.832 179.886 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 62' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER . . . . . 0 C--N 1.328 -0.357 0 CA-C-N 116.243 -0.435 . . . . 74.21 110.914 179.962 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 2' ' ' LYS . . . . . 0.408 ' HB3' ' HE2' ' A' ' 6' ' ' GLU . 4.0 pttt . . . . . 0 C--O 1.231 0.115 0 CA-C-O 120.804 0.335 . . . . 75.15 110.946 . . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -137.32 -74.42 0.42 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.229 -0.441 . . . . 75.34 110.838 179.866 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 4' ' ' LEU . . . . . 0.403 ' O ' ' CD2' ' A' ' 4' ' ' LEU . 0.0 OUTLIER -140.51 4.57 1.97 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.282 -0.417 . . . . 72.15 110.916 179.982 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 97.4 mtt180 -71.59 -38.63 70.87 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.218 -0.447 . . . . 75.05 110.868 179.945 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 6' ' ' GLU . . . . . 0.408 ' HE2' ' HB3' ' A' ' 2' ' ' LYS . 0.2 OUTLIER -53.63 -27.95 30.07 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.148 -0.478 . . . . 71.44 110.845 -179.894 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 16.9 mt-10 -53.81 -34.09 58.08 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.183 -0.462 . . . . 70.24 110.903 -179.959 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -76.12 -26.99 56.91 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.201 -0.454 . . . . 63.04 111.064 179.966 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -57.17 -42.26 80.8 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.183 -0.462 . . . . 74.13 111.063 179.974 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 11.8 mttm -55.88 -34.66 65.71 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.177 -0.465 . . . . 73.32 110.871 -179.998 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 35.5 mt -52.1 -43.73 64.07 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.258 -0.428 . . . . 73.03 110.946 179.939 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 21.6 m-85 -74.13 -24.66 59.47 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.185 -0.461 . . . . 74.31 110.913 179.912 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -53.58 -35.01 60.35 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.076 -0.511 . . . . 75.12 110.959 -179.975 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 5.9 mt-10 -63.87 -33.86 76.65 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.111 -0.495 . . . . 74.5 110.872 -179.923 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 15' ' ' TRP . . . . . . . . . . . . . 2.8 t90 -65.09 -47.55 76.84 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.108 -0.496 . . . . 72.13 110.889 -179.962 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 4.9 ptmt -75.52 -27.37 58.69 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.209 -0.451 . . . . 74.12 110.861 179.983 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER -75.17 -58.5 3.25 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.278 -0.419 . . . . 70.21 110.924 179.875 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 17.0 mt -55.68 -26.0 42.66 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.272 -0.422 . . . . 74.44 110.905 179.915 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -71.86 -25.74 62.07 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.141 -0.481 . . . . 72.15 111.047 179.801 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 1.2 mt-10 -73.44 -49.29 27.68 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.262 -0.426 . . . . 75.55 110.871 -179.87 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 2.6 mm-40 -72.92 -51.14 19.7 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.157 -0.474 . . . . 64.22 110.874 -179.927 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -54.25 -30.63 51.05 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.14 -0.482 . . . . 65.11 111.095 179.949 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -70.82 -54.26 12.23 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.248 -0.433 . . . . 74.14 111.143 179.873 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 6.1 ptmm? -63.91 -33.84 76.62 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.196 -0.456 . . . . 72.23 110.9 179.931 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 5.6 mt -76.68 -39.89 50.66 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.228 -0.442 . . . . 75.21 110.962 179.901 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 3.1 mt -50.76 -49.8 57.2 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.186 -0.461 . . . . 74.24 110.905 179.889 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 24.8 mt-10 -90.96 12.47 19.52 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.241 -0.436 . . . . 73.23 110.832 179.954 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . -58.59 -15.21 24.62 Favored Glycine 0 N--CA 1.451 -0.341 0 C-N-CA 120.726 -0.75 . . . . 64.44 112.507 -179.952 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . 140.02 49.99 0.05 OUTLIER Glycine 0 N--CA 1.452 -0.267 0 C-N-CA 120.755 -0.736 . . . . 62.1 112.515 -179.904 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . -94.15 46.88 2.21 Favored Glycine 0 N--CA 1.452 -0.295 0 C-N-CA 120.808 -0.71 . . . . 62.03 112.542 -179.949 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . 52.03 -167.46 0.82 Allowed Glycine 0 N--CA 1.451 -0.346 0 C-N-CA 120.758 -0.734 . . . . 75.43 112.504 -179.879 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . -126.09 122.66 4.54 Favored Glycine 0 N--CA 1.451 -0.31 0 C-N-CA 120.77 -0.729 . . . . 74.13 112.498 -179.94 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -179.57 32.74 0.06 OUTLIER Glycine 0 N--CA 1.451 -0.308 0 C-N-CA 120.743 -0.741 . . . . 53.22 112.55 -179.974 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . -159.19 -65.29 0.01 OUTLIER Glycine 0 N--CA 1.452 -0.279 0 C-N-CA 120.755 -0.736 . . . . 65.31 112.492 -179.913 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 74.55 -87.25 0.72 Allowed Glycine 0 N--CA 1.45 -0.378 0 C-N-CA 120.713 -0.756 . . . . 72.33 112.483 -179.931 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 29.0 tt0 -57.78 -20.26 34.05 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.884 0.373 . . . . 72.42 110.873 -179.909 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -50.85 -27.73 8.01 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.197 -0.456 . . . . 73.23 110.94 179.979 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 38' ' ' MET . . . . . . . . . . . . . 0.6 OUTLIER -61.75 -38.94 89.83 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.235 -0.439 . . . . 74.42 110.895 179.82 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 8.6 tttt -56.63 -27.96 59.5 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.173 -0.467 . . . . 74.21 110.933 179.924 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 3.7 mt -73.99 -39.75 63.43 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.207 -0.451 . . . . 72.5 110.977 179.884 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 41' ' ' CYS . . . . . . . . . . . . . 17.2 m -72.52 -35.37 68.07 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.154 -0.476 . . . . 61.4 110.834 179.935 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -63.71 -25.46 68.21 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.191 -0.459 . . . . 74.42 110.884 -179.835 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 2.3 mt-10 -54.49 -40.88 68.94 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.215 -0.448 . . . . 70.24 110.87 -179.948 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -51.4 -42.47 61.45 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.162 -0.472 . . . . 72.0 111.163 179.875 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -75.55 -22.77 56.76 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.185 -0.461 . . . . 64.14 111.092 179.984 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 3.9 tttt -76.23 -46.61 27.35 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.192 -0.458 . . . . 75.42 110.875 179.979 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 7.2 mmpt? -54.14 -55.03 31.69 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.19 -0.459 . . . . 73.11 110.887 179.89 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -54.95 -37.99 67.17 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.19 -0.459 . . . . 73.42 111.089 179.849 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 1.1 tp10 -61.22 -40.07 92.62 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.204 -0.453 . . . . 74.2 110.874 -179.946 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 4.3 mt-10 -73.96 -43.74 57.2 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.194 -0.457 . . . . 73.35 110.903 -179.923 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 4.1 mt -62.88 -57.49 10.65 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.124 -0.489 . . . . 73.11 110.939 -179.946 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 52' ' ' PHE . . . . . . . . . . . . . 33.2 t80 -55.3 -29.4 58.16 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.162 -0.472 . . . . 74.14 110.904 179.869 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 7.7 tptp -54.55 -59.18 5.04 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.175 -0.466 . . . . 73.44 110.959 179.958 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 54' ' ' LEU . . . . . . . . . . . . . 4.4 mm? -75.57 -25.57 57.18 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.278 -0.419 . . . . 75.44 110.922 179.879 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -56.01 -31.5 63.12 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.123 -0.49 . . . . 70.34 111.081 179.814 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 1.4 mt-10 -61.9 -28.54 69.59 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.203 -0.453 . . . . 71.02 110.894 -179.93 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 71.7 tt0 -73.51 -46.41 48.02 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.165 -0.47 . . . . 71.45 110.895 -179.932 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -79.57 -13.16 59.72 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.176 -0.465 . . . . 75.54 110.878 -179.969 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 59' ' ' LEU . . . . . . . . . . . . . 46.7 mt -106.72 -6.9 17.53 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.179 -0.464 . . . . 74.23 110.912 -179.943 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -146.14 -165.58 2.25 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.172 -0.467 . . . . 74.24 110.919 179.903 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 13.8 tttt -93.36 -54.01 3.85 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.251 -0.431 . . . . 73.31 110.894 179.786 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 12.4 mt . . . . . 0 C--N 1.329 -0.318 0 CA-C-N 116.239 -0.437 . . . . 74.43 110.965 -179.971 . . . . . . . . 0 0 . 1 . 016 nuclear orig core ' B' B ' 1' ' ' MET . . . . . . . . . . . . . 0.9 OUTLIER . . . . . 0 C--O 1.231 0.083 0 CA-C-O 120.826 0.346 . . . . 72.32 110.885 . . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 2' ' ' LYS . . . . . 0.43 ' HB3' ' HE2' ' B' ' 6' ' ' GLU . 4.0 pttt -174.19 161.83 3.6 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.213 -0.449 . . . . 75.33 110.904 179.958 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' B' B ' 3' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -137.55 -74.55 0.41 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.185 -0.462 . . . . 71.44 110.851 179.842 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' B' B ' 4' ' ' LEU . . . . . 0.4 ' O ' ' CD2' ' B' ' 4' ' ' LEU . 0.0 OUTLIER -140.32 4.49 2.01 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.197 -0.456 . . . . 74.42 110.902 179.994 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' B' B ' 5' ' ' ARG . . . . . . . . . . . . . 97.3 mtt180 -71.42 -38.55 71.4 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.219 -0.446 . . . . 72.03 110.877 179.953 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 6' ' ' GLU . . . . . 0.43 ' HE2' ' HB3' ' B' ' 2' ' ' LYS . 0.3 OUTLIER -53.48 -27.92 27.89 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.142 -0.481 . . . . 71.54 110.938 -179.966 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' B' B ' 7' ' ' GLU . . . . . . . . . . . . . 16.9 mt-10 -53.72 -34.23 58.2 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.104 -0.498 . . . . 63.5 110.921 -179.964 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 8' ' ' ALA . . . . . . . . . . . . . . . -75.58 -26.97 58.35 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.144 -0.48 . . . . 73.41 111.074 179.983 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 9' ' ' ALA . . . . . . . . . . . . . . . -57.49 -42.33 82.5 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.255 -0.429 . . . . 54.3 111.132 179.97 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 10' ' ' LYS . . . . . . . . . . . . . 12.0 mttm -55.95 -33.96 65.23 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.294 -0.412 . . . . 74.51 110.934 179.92 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 11' ' ' LEU . . . . . . . . . . . . . 41.5 mt -51.67 -42.87 62.46 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.212 -0.449 . . . . 75.41 110.996 179.868 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 12' ' ' PHE . . . . . . . . . . . . . 24.8 m-85 -74.22 -29.0 61.51 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.16 -0.473 . . . . 75.5 110.952 179.887 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 13' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -58.6 -46.46 86.95 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.07 -0.514 . . . . 61.21 110.877 -179.925 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' B' B ' 14' ' ' GLU . . . . . . . . . . . . . 6.3 mt-10 -75.17 -27.99 59.9 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.175 -0.466 . . . . 74.25 110.84 -179.94 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 15' ' ' TRP . . . . . . . . . . . . . 2.6 m0 -55.84 -55.36 33.42 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.178 -0.465 . . . . 73.44 110.895 -179.89 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 16' ' ' LYS . . . . . . . . . . . . . 4.8 ptmt -71.78 -19.64 61.98 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.186 -0.461 . . . . 75.35 110.929 179.972 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 17' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -70.75 -53.79 14.19 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.176 -0.465 . . . . 71.13 110.88 179.907 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' B' B ' 18' ' ' LEU . . . . . . . . . . . . . 21.8 mt -55.8 -26.28 45.53 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.215 -0.448 . . . . 72.42 110.946 179.9 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 19' ' ' ALA . . . . . . . . . . . . . . . -72.98 -25.65 61.07 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.206 -0.452 . . . . 62.22 111.103 179.775 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 20' ' ' GLU . . . . . . . . . . . . . 1.1 mt-10 -73.19 -49.35 28.53 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.234 -0.439 . . . . 72.02 110.905 -179.933 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 21' ' ' GLU . . . . . . . . . . . . . 2.6 mm-40 -72.71 -51.16 20.43 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.137 -0.483 . . . . 70.22 110.972 179.995 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 22' ' ' ALA . . . . . . . . . . . . . . . -54.25 -30.64 51.16 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.119 -0.492 . . . . 74.15 111.109 179.933 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 23' ' ' ALA . . . . . . . . . . . . . . . -70.81 -54.23 12.38 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.197 -0.456 . . . . 64.21 111.124 179.881 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 24' ' ' LYS . . . . . . . . . . . . . 6.1 ptmm? -64.01 -33.87 76.73 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.168 -0.469 . . . . 70.34 110.912 179.943 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 25' ' ' LEU . . . . . . . . . . . . . 5.7 mt -76.7 -39.64 51.34 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.229 -0.441 . . . . 64.42 110.938 179.896 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 26' ' ' LEU . . . . . . . . . . . . . 3.0 mt -50.66 -50.18 55.28 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.231 -0.44 . . . . 72.41 110.95 179.876 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 27' ' ' GLU . . . . . . . . . . . . . 23.9 mt-10 -90.98 12.11 20.72 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.197 -0.456 . . . . 62.42 110.857 179.924 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 28' ' ' GLY . . . . . . . . . . . . . . . -58.91 -15.03 26.34 Favored Glycine 0 N--CA 1.45 -0.411 0 C-N-CA 120.768 -0.729 . . . . 74.02 112.54 -179.951 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 29' ' ' GLY . . . . . . . . . . . . . . . 135.74 42.72 0.11 Allowed Glycine 0 N--CA 1.452 -0.267 0 C-N-CA 120.729 -0.748 . . . . 72.01 112.483 -179.919 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 30' ' ' GLY . . . . . . . . . . . . . . . -101.75 54.83 0.76 Allowed Glycine 0 N--CA 1.451 -0.33 0 C-N-CA 120.697 -0.763 . . . . 74.32 112.442 -179.905 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 31' ' ' GLY . . . . . . . . . . . . . . . 58.95 -143.58 45.43 Favored Glycine 0 N--CA 1.452 -0.3 0 C-N-CA 120.777 -0.725 . . . . 63.33 112.431 -179.925 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 32' ' ' GLY . . . . . . . . . . . . . . . -100.75 119.52 6.55 Favored Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 120.732 -0.747 . . . . 53.53 112.461 -179.873 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 33' ' ' GLY . . . . . . . . . . . . . . . 174.21 34.24 0.04 OUTLIER Glycine 0 N--CA 1.452 -0.275 0 C-N-CA 120.717 -0.754 . . . . 63.05 112.525 -179.886 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 34' ' ' GLY . . . . . . . . . . . . . . . -149.03 -92.43 0.1 Allowed Glycine 0 N--CA 1.451 -0.361 0 C-N-CA 120.719 -0.753 . . . . 73.05 112.54 -179.894 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 35' ' ' GLY . . . . . . . . . . . . . . . 50.66 -124.84 20.95 Favored Glycine 0 N--CA 1.451 -0.31 0 C-N-CA 120.713 -0.756 . . . . 72.14 112.5 -179.963 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 36' ' ' GLU . . . . . . . . . . . . . 32.3 tt0 -76.39 -25.29 54.41 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-O 120.904 0.383 . . . . 70.13 110.867 -179.889 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 37' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -60.65 -22.8 64.23 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.102 -0.499 . . . . 75.23 110.93 -179.963 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' B' B ' 38' ' ' MET . . . . . . . . . . . . . 0.6 OUTLIER -55.21 -25.89 35.91 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.246 -0.434 . . . . 71.23 110.844 179.881 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' B' B ' 39' ' ' LYS . . . . . . . . . . . . . 8.8 tttt -53.64 -27.93 30.05 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.234 -0.439 . . . . 73.22 110.889 179.949 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 40' ' ' LEU . . . . . . . . . . . . . 3.7 mt -71.21 -36.12 71.78 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.217 -0.447 . . . . 65.32 110.89 179.947 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 41' ' ' CYS . . . . . . . . . . . . . 14.6 m -71.66 -34.26 69.58 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.212 -0.449 . . . . 72.41 110.867 179.941 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 42' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -59.54 -24.9 64.08 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.213 -0.449 . . . . 75.11 110.901 -179.869 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' B' B ' 43' ' ' GLU . . . . . . . . . . . . . 2.4 mt-10 -54.06 -37.43 64.17 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.126 -0.488 . . . . 73.54 110.843 -179.956 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 44' ' ' ALA . . . . . . . . . . . . . . . -51.44 -42.81 61.79 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.173 -0.467 . . . . 74.35 111.059 179.958 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 45' ' ' ALA . . . . . . . . . . . . . . . -75.59 -22.79 56.6 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.237 -0.438 . . . . 63.23 111.164 179.953 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 46' ' ' LYS . . . . . . . . . . . . . 3.9 tttt -78.06 -43.28 29.7 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.168 -0.469 . . . . 75.22 111.005 179.83 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 47' ' ' LYS . . . . . . . . . . . . . 7.3 mmpt? -54.66 -56.63 17.12 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.242 -0.435 . . . . 75.11 110.85 179.879 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 48' ' ' ALA . . . . . . . . . . . . . . . -56.8 -38.46 72.59 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.211 -0.449 . . . . 74.04 111.076 179.847 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 49' ' ' GLU . . . . . . . . . . . . . 1.1 tp10 -62.84 -41.57 99.4 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.189 -0.459 . . . . 73.55 110.895 -179.931 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 50' ' ' GLU . . . . . . . . . . . . . 4.4 mt-10 -74.11 -42.86 59.4 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.153 -0.476 . . . . 70.23 110.888 -179.92 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 51' ' ' LEU . . . . . . . . . . . . . 3.5 mt -62.14 -51.06 69.4 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.161 -0.472 . . . . 72.42 110.958 179.978 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 52' ' ' PHE . . . . . . . . . . . . . 33.1 t80 -53.94 -31.29 49.9 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.165 -0.471 . . . . 74.22 110.853 179.943 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 53' ' ' LYS . . . . . . . . . . . . . 8.0 tptp -56.51 -59.68 4.64 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.182 -0.463 . . . . 71.45 110.888 -179.975 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 54' ' ' LEU . . . . . . . . . . . . . 4.4 mm? -75.54 -24.08 56.7 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.263 -0.426 . . . . 73.11 110.928 179.884 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 55' ' ' ALA . . . . . . . . . . . . . . . -56.97 -32.6 66.22 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.199 -0.455 . . . . 62.22 111.116 179.796 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 56' ' ' GLU . . . . . . . . . . . . . 1.4 mt-10 -59.9 -28.16 67.34 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.197 -0.456 . . . . 65.03 110.869 -179.846 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 57' ' ' GLU . . . . . . . . . . . . . 71.9 tt0 -73.42 -46.88 45.94 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.147 -0.479 . . . . 72.54 110.882 -179.95 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 58' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -79.52 -12.83 59.85 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.148 -0.478 . . . . 74.04 110.919 -179.968 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' B' B ' 59' ' ' LEU . . . . . . . . . . . . . 40.3 mt -106.61 -7.29 17.47 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.17 -0.468 . . . . 71.1 110.878 -179.984 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 60' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -145.99 -165.48 2.21 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.203 -0.453 . . . . 75.52 110.92 179.804 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' B' B ' 61' ' ' LYS . . . . . . . . . . . . . 13.7 tttt -92.99 -54.49 3.71 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.237 -0.438 . . . . 72.04 110.871 179.943 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 62' ' ' LEU . . . . . . . . . . . . . 12.5 mt . . . . . 0 C--N 1.328 -0.347 0 CA-C-N 116.222 -0.444 . . . . 74.13 110.88 179.869 . . . . . . . . 0 0 . 1 . 017 nuclear orig core ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.231 0.111 0 CA-C-O 120.817 0.341 . . . . 75.12 110.929 . . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -179.37 -52.17 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.258 -0.428 . . . . 74.14 110.927 179.85 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER 176.91 -31.77 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.176 -0.466 . . . . 71.33 110.875 179.872 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 7.4 mtt180 -68.72 -24.32 64.46 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.186 -0.461 . . . . 71.42 110.854 179.958 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -54.22 -26.91 31.07 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.25 -0.432 . . . . 71.12 110.822 -179.908 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 12.1 mt-10 -54.47 -31.08 55.03 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.212 -0.449 . . . . 73.42 110.844 -179.919 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -73.89 -27.06 60.87 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.238 -0.437 . . . . 71.15 111.101 179.891 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -58.16 -50.49 73.34 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.225 -0.443 . . . . 72.13 111.097 179.965 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 1.6 mtpp -55.98 -44.28 78.39 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.17 -0.468 . . . . 63.24 110.863 179.991 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 17.9 mt -51.66 -40.58 60.27 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.29 -0.414 . . . . 74.21 110.957 179.896 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 24.2 m-85 -74.32 -26.93 60.46 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.198 -0.455 . . . . 73.53 110.892 179.921 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 5.2 tt0 -53.98 -27.75 33.49 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.144 -0.48 . . . . 73.44 110.867 -179.921 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 6.9 mt-10 -73.29 -33.19 65.07 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.136 -0.484 . . . . 70.44 110.812 -179.868 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 15' ' ' TRP . . . . . . . . . . . . . 2.9 t90 -64.44 -46.08 84.7 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 116.237 -0.438 . . . . 63.44 110.951 -179.994 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -77.44 -27.93 52.33 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.174 -0.466 . . . . 73.32 110.882 179.924 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 17.1 mmtt -75.23 -62.37 1.58 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.246 -0.434 . . . . 73.31 110.919 179.857 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 3.7 mt -56.5 -24.7 48.01 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.212 -0.449 . . . . 64.42 110.913 179.943 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -72.88 -29.46 63.2 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.156 -0.475 . . . . 70.5 111.124 179.796 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 3.8 tp10 -73.32 -49.75 25.75 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.221 -0.445 . . . . 74.22 110.887 -179.964 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 9.7 pt-20 -57.42 -46.66 83.28 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.16 -0.473 . . . . 72.33 110.915 -179.943 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -63.77 -32.62 74.18 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.114 -0.494 . . . . 71.05 111.096 179.905 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -70.61 -47.99 57.35 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.267 -0.424 . . . . 71.22 111.063 179.97 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -67.2 -36.34 81.53 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.228 -0.442 . . . . 72.12 110.905 -179.997 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 10.5 mt -76.54 -37.8 56.08 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.191 -0.459 . . . . 64.43 110.974 179.909 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 4.0 mt -50.51 -49.87 54.5 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.112 -0.495 . . . . 75.15 110.884 179.888 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 40.8 mt-10 -93.55 12.47 25.09 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.224 -0.443 . . . . 70.53 110.92 179.932 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . -59.65 -14.29 28.23 Favored Glycine 0 N--CA 1.45 -0.383 0 C-N-CA 120.724 -0.751 . . . . 73.43 112.52 179.982 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . 135.13 43.66 0.11 Allowed Glycine 0 N--CA 1.45 -0.415 0 C-N-CA 120.775 -0.726 . . . . 64.13 112.517 -179.899 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . -113.52 -84.61 1.32 Allowed Glycine 0 N--CA 1.451 -0.345 0 C-N-CA 120.759 -0.734 . . . . 55.13 112.476 -179.868 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . 161.07 168.45 22.97 Favored Glycine 0 N--CA 1.45 -0.391 0 C-N-CA 120.778 -0.725 . . . . 72.23 112.464 -179.968 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . -159.08 166.98 34.78 Favored Glycine 0 N--CA 1.452 -0.296 0 C-N-CA 120.708 -0.758 . . . . 44.42 112.516 -179.87 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -112.53 117.28 4.29 Favored Glycine 0 N--CA 1.451 -0.305 0 C-N-CA 120.747 -0.739 . . . . 74.41 112.513 -179.948 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 60.37 -125.29 38.27 Favored Glycine 0 N--CA 1.451 -0.304 0 C-N-CA 120.757 -0.735 . . . . 53.21 112.54 -179.855 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . -150.02 -65.46 0.01 OUTLIER Glycine 0 N--CA 1.45 -0.421 0 C-N-CA 120.776 -0.726 . . . . 64.31 112.545 -179.922 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 41.5 tt0 -53.21 -34.88 58.92 Favored 'General case' 0 C--N 1.33 -0.283 0 CA-C-O 120.843 0.354 . . . . 72.44 110.83 -179.88 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 5.9 tp -54.8 -58.13 8.78 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.122 -0.49 . . . . 72.31 110.862 -179.935 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 38' ' ' MET . . . . . . . . . . . . . 14.1 ttm -70.95 -27.3 63.65 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.182 -0.463 . . . . 63.53 110.881 179.828 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 2.5 tttt -54.89 -28.36 49.92 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.284 -0.416 . . . . 73.11 110.916 179.944 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 8.7 mt -54.52 -42.37 70.78 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.233 -0.439 . . . . 75.22 110.863 179.922 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 41' ' ' CYS . . . . . . . . . . . . . 15.6 m -74.84 -41.19 60.35 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.178 -0.465 . . . . 63.23 110.9 179.93 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -55.54 -24.83 34.36 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.161 -0.472 . . . . 75.35 110.887 -179.833 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 1.9 mm-40 -54.5 -24.82 22.12 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.131 -0.486 . . . . 72.32 110.923 179.997 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -51.32 -44.31 61.92 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.135 -0.484 . . . . 63.53 111.091 179.949 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -75.19 -22.98 57.62 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.215 -0.448 . . . . 65.25 111.163 179.934 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 8.0 mttp -76.43 -49.9 15.49 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.181 -0.463 . . . . 75.15 110.85 179.984 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 7.0 mmtp -70.17 -26.92 64.14 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.24 -0.436 . . . . 74.12 110.923 179.858 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -67.88 -50.19 57.79 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.242 -0.436 . . . . 63.13 111.123 179.824 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 5.7 tt0 -77.27 -27.92 53.33 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.206 -0.452 . . . . 73.53 110.919 -179.994 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 62.1 tt0 -66.61 -51.25 58.39 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.178 -0.465 . . . . 71.44 110.875 -179.905 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 2.2 pp -73.31 -36.06 66.19 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.178 -0.464 . . . . 73.23 110.888 -179.952 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 52' ' ' PHE . . . . . . . . . . . . . 75.8 t80 -64.05 -24.44 67.71 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.163 -0.471 . . . . 73.15 110.87 179.952 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -65.69 -59.25 4.11 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.201 -0.454 . . . . 73.41 110.866 179.979 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 54' ' ' LEU . . . . . . . . . . . . . 4.5 mm? -75.12 -24.41 58.04 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.196 -0.456 . . . . 73.1 110.928 179.931 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -55.74 -24.98 38.24 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.127 -0.488 . . . . 72.45 111.07 179.875 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 3.6 mt-10 -77.02 -28.6 55.01 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.251 -0.432 . . . . 62.24 110.843 -179.917 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 2.6 tt0 -65.19 -44.07 89.6 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.197 -0.456 . . . . 63.13 110.944 -179.912 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 1.2 mtt180 -78.51 -29.65 46.72 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.086 -0.506 . . . . 74.41 110.915 -179.955 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 59' ' ' LEU . . . . . . . . . . . . . 5.2 mp -77.72 -64.01 1.25 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.2 -0.454 . . . . 74.01 110.962 -179.984 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -116.17 -79.09 0.58 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.244 -0.435 . . . . 70.43 110.952 179.778 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 6.0 ptmt 178.01 -35.63 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.279 -0.419 . . . . 71.42 110.877 179.779 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER . . . . . 0 C--N 1.328 -0.334 0 CA-C-N 116.265 -0.425 . . . . 64.52 110.89 179.887 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 1' ' ' MET . . . . . . . . . . . . . 6.7 mtt . . . . . 0 C--O 1.231 0.102 0 CA-C-O 120.84 0.353 . . . . 71.32 110.847 . . . . . . . . . 0 0 . 1 . 017 nuclear orig core ' B' B ' 2' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -153.62 -167.02 2.56 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.213 -0.449 . . . . 73.34 110.937 179.942 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' B' B ' 3' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -179.39 -52.17 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.277 -0.42 . . . . 73.41 110.925 179.854 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' B' B ' 4' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER 176.77 -31.57 0.0 OUTLIER 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.266 -0.425 . . . . 75.01 110.96 179.874 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' B' B ' 5' ' ' ARG . . . . . . . . . . . . . 7.5 mtt180 -68.05 -25.33 65.31 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.209 -0.45 . . . . 73.33 110.89 179.89 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 6' ' ' GLU . . . . . . . . . . . . . 1.1 mt-10 -53.96 -27.88 34.03 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.159 -0.473 . . . . 74.54 110.882 -179.928 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 7' ' ' GLU . . . . . . . . . . . . . 12.0 mt-10 -54.49 -31.06 55.2 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.166 -0.47 . . . . 64.32 110.946 -179.96 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 8' ' ' ALA . . . . . . . . . . . . . . . -73.52 -27.23 61.25 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.229 -0.441 . . . . 74.31 111.105 179.909 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 9' ' ' ALA . . . . . . . . . . . . . . . -58.36 -50.07 74.95 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.259 -0.428 . . . . 60.51 111.055 179.938 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 10' ' ' LYS . . . . . . . . . . . . . 1.5 mtpp -56.26 -43.83 79.12 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.25 -0.432 . . . . 74.31 110.943 179.94 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 11' ' ' LEU . . . . . . . . . . . . . 18.9 mt -51.58 -40.6 60.09 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.236 -0.438 . . . . 75.14 110.907 179.863 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 12' ' ' PHE . . . . . . . . . . . . . 25.6 m-85 -74.29 -27.14 60.59 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.187 -0.46 . . . . 74.4 110.865 179.983 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 13' ' ' GLU . . . . . . . . . . . . . 5.2 tt0 -55.84 -27.68 52.66 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.17 -0.468 . . . . 74.35 110.919 -179.996 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 14' ' ' GLU . . . . . . . . . . . . . 7.3 mt-10 -74.06 -34.97 64.23 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.201 -0.454 . . . . 73.32 110.875 -179.906 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 15' ' ' TRP . . . . . . . . . . . . . 5.1 t90 -63.62 -44.98 92.34 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.142 -0.481 . . . . 72.44 110.932 179.972 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 16' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -77.71 -28.58 50.95 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.314 -0.403 . . . . 74.11 110.96 179.903 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' B' B ' 17' ' ' LYS . . . . . . . . . . . . . 16.2 mmtt -74.31 -62.65 1.44 Allowed 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.187 -0.46 . . . . 74.22 110.922 179.766 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 18' ' ' LEU . . . . . . . . . . . . . 4.6 mt -56.33 -24.63 45.09 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.155 -0.475 . . . . 73.12 110.943 179.95 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 19' ' ' ALA . . . . . . . . . . . . . . . -73.03 -29.33 62.92 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.184 -0.462 . . . . 73.2 111.012 179.88 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 20' ' ' GLU . . . . . . . . . . . . . 3.8 tp10 -73.42 -49.8 25.11 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.315 -0.402 . . . . 74.44 110.889 -179.919 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 21' ' ' GLU . . . . . . . . . . . . . 9.6 pt-20 -57.05 -46.76 82.2 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 116.137 -0.483 . . . . 63.41 110.915 -179.905 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 22' ' ' ALA . . . . . . . . . . . . . . . -63.84 -32.69 74.28 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.17 -0.468 . . . . 74.12 111.041 179.96 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 23' ' ' ALA . . . . . . . . . . . . . . . -70.58 -48.15 56.71 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.21 -0.45 . . . . 73.05 111.107 179.965 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 24' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -66.95 -36.26 81.82 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.191 -0.459 . . . . 74.04 110.872 179.996 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' B' B ' 25' ' ' LEU . . . . . . . . . . . . . 10.4 mt -76.6 -38.03 55.45 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.182 -0.463 . . . . 75.32 110.916 179.958 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 26' ' ' LEU . . . . . . . . . . . . . 4.0 mt -50.56 -48.96 57.28 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.206 -0.452 . . . . 72.32 110.954 179.87 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 27' ' ' GLU . . . . . . . . . . . . . 41.9 mt-10 -93.52 12.54 24.79 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.153 -0.476 . . . . 74.41 110.877 179.9 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 28' ' ' GLY . . . . . . . . . . . . . . . -59.81 -14.13 28.62 Favored Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.716 -0.754 . . . . 63.32 112.467 -179.942 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 29' ' ' GLY . . . . . . . . . . . . . . . 135.99 43.82 0.1 Allowed Glycine 0 N--CA 1.452 -0.294 0 C-N-CA 120.676 -0.773 . . . . 64.32 112.507 -179.906 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 30' ' ' GLY . . . . . . . . . . . . . . . -113.27 -82.43 1.14 Allowed Glycine 0 N--CA 1.451 -0.343 0 C-N-CA 120.699 -0.762 . . . . 73.34 112.475 -179.868 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 31' ' ' GLY . . . . . . . . . . . . . . . 162.01 165.71 19.44 Favored Glycine 0 N--CA 1.451 -0.34 0 C-N-CA 120.76 -0.733 . . . . 74.44 112.474 -179.925 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 32' ' ' GLY . . . . . . . . . . . . . . . -160.67 167.61 35.86 Favored Glycine 0 N--CA 1.452 -0.28 0 C-N-CA 120.755 -0.735 . . . . 54.11 112.495 -179.945 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 33' ' ' GLY . . . . . . . . . . . . . . . -112.43 117.5 4.37 Favored Glycine 0 N--CA 1.452 -0.285 0 C-N-CA 120.763 -0.732 . . . . 73.5 112.499 -179.931 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 34' ' ' GLY . . . . . . . . . . . . . . . 60.8 -125.05 37.31 Favored Glycine 0 N--CA 1.451 -0.331 0 C-N-CA 120.719 -0.753 . . . . 63.15 112.499 -179.898 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 35' ' ' GLY . . . . . . . . . . . . . . . -149.28 -65.76 0.01 OUTLIER Glycine 0 N--CA 1.452 -0.294 0 C-N-CA 120.75 -0.738 . . . . 54.03 112.495 -179.933 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 36' ' ' GLU . . . . . . . . . . . . . 41.5 tt0 -53.11 -34.48 56.89 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-O 120.876 0.37 . . . . 74.14 110.919 -179.903 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 37' ' ' LEU . . . . . . . . . . . . . 6.0 tp -54.93 -56.95 13.96 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.17 -0.468 . . . . 74.31 110.898 -179.977 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 38' ' ' MET . . . . . . . . . . . . . 14.4 ttm -69.77 -26.8 64.46 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.176 -0.465 . . . . 74.11 110.925 179.781 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 39' ' ' LYS . . . . . . . . . . . . . 2.7 tttt -54.2 -28.1 38.5 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.185 -0.461 . . . . 73.44 110.843 -179.96 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 40' ' ' LEU . . . . . . . . . . . . . 8.6 mt -54.37 -41.27 68.99 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.299 -0.41 . . . . 64.02 110.916 179.875 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 41' ' ' CYS . . . . . . . . . . . . . 12.3 m -73.61 -44.5 56.93 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.177 -0.465 . . . . 73.04 110.927 179.897 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 42' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -56.05 -24.48 39.95 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.163 -0.471 . . . . 72.45 110.904 -179.856 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' B' B ' 43' ' ' GLU . . . . . . . . . . . . . 1.9 mm-40 -54.07 -25.32 21.04 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.13 -0.486 . . . . 63.14 110.954 -179.986 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 44' ' ' ALA . . . . . . . . . . . . . . . -51.38 -45.48 62.46 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.126 -0.488 . . . . 74.22 111.058 179.915 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 45' ' ' ALA . . . . . . . . . . . . . . . -75.29 -23.0 57.31 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.224 -0.444 . . . . 53.41 111.084 -179.992 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 46' ' ' LYS . . . . . . . . . . . . . 8.0 mttp -75.67 -50.8 14.35 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.209 -0.451 . . . . 72.14 110.984 179.938 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 47' ' ' LYS . . . . . . . . . . . . . 7.0 mmtp -67.67 -28.33 67.61 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.233 -0.44 . . . . 72.33 110.93 179.805 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 48' ' ' ALA . . . . . . . . . . . . . . . -68.53 -49.6 58.34 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.245 -0.434 . . . . 74.11 111.079 179.803 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 49' ' ' GLU . . . . . . . . . . . . . 5.7 tt0 -77.07 -27.93 54.44 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.226 -0.443 . . . . 74.3 110.937 -179.931 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 50' ' ' GLU . . . . . . . . . . . . . 61.8 tt0 -66.63 -51.4 56.64 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.151 -0.477 . . . . 65.03 110.837 -179.905 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 51' ' ' LEU . . . . . . . . . . . . . 2.0 pp -73.54 -35.14 65.49 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.157 -0.474 . . . . 71.21 110.942 -179.97 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 52' ' ' PHE . . . . . . . . . . . . . 76.4 t80 -62.29 -24.26 67.19 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.157 -0.474 . . . . 75.52 110.903 179.91 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 53' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -64.24 -59.46 4.38 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.133 -0.485 . . . . 74.54 110.874 179.923 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' B' B ' 54' ' ' LEU . . . . . . . . . . . . . 4.5 mm? -75.21 -23.99 57.7 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.213 -0.449 . . . . 73.32 110.92 179.889 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 55' ' ' ALA . . . . . . . . . . . . . . . -55.98 -24.74 40.46 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.204 -0.453 . . . . 71.24 111.156 179.812 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 56' ' ' GLU . . . . . . . . . . . . . 3.3 mt-10 -78.0 -28.41 49.24 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.228 -0.442 . . . . 75.41 110.85 -179.907 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 57' ' ' GLU . . . . . . . . . . . . . 2.6 tt0 -65.36 -44.75 86.68 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.224 -0.444 . . . . 74.2 110.925 -179.967 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 58' ' ' ARG . . . . . . . . . . . . . 1.6 ptt180 -77.98 -29.3 49.63 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.094 -0.503 . . . . 72.24 110.864 -179.916 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 59' ' ' LEU . . . . . . . . . . . . . 5.1 mp -77.96 -64.43 1.16 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.197 -0.456 . . . . 75.35 110.924 -179.981 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 60' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -115.93 -79.28 0.58 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.13 -0.487 . . . . 72.3 110.872 179.86 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' B' B ' 61' ' ' LYS . . . . . . . . . . . . . 6.1 ptmt 178.0 -34.57 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.195 -0.457 . . . . 70.4 110.891 179.902 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 62' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER . . . . . 0 C--N 1.329 -0.311 0 CA-C-N 116.286 -0.415 . . . . 73.4 110.896 179.862 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.232 0.142 0 CA-C-O 120.9 0.381 . . . . 73.54 110.915 . . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -173.86 -37.02 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.262 -0.426 . . . . 74.02 110.91 179.858 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 1.4 pp -81.5 -25.65 35.81 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.169 -0.469 . . . . 73.31 110.906 179.945 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 25.4 mtt85 -68.93 -24.32 64.27 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.194 -0.457 . . . . 72.22 110.908 179.968 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -53.68 -26.78 24.27 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.141 -0.481 . . . . 70.44 110.871 -179.924 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 2.9 pp20? -53.1 -36.53 60.82 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.121 -0.491 . . . . 72.15 110.925 -179.965 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -74.51 -26.55 60.07 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.106 -0.497 . . . . 74.15 111.111 179.896 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -55.55 -44.4 76.74 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.264 -0.426 . . . . 73.52 111.06 179.995 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 24.9 mtpt -55.49 -42.66 74.73 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.262 -0.426 . . . . 61.5 110.942 179.932 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 14.2 mt -52.72 -40.62 63.2 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.153 -0.476 . . . . 74.13 110.923 179.92 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 3.0 m-30 -74.24 -24.65 59.33 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.186 -0.461 . . . . 73.45 110.947 179.865 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -53.61 -32.14 49.96 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.15 -0.477 . . . . 64.14 110.873 -179.943 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 5.3 mt-10 -75.39 -35.79 61.0 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.123 -0.489 . . . . 75.43 110.915 -179.921 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 15' ' ' TRP . . . . . . . . . . . . . 6.2 t-105 -52.22 -50.54 61.75 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.142 -0.481 . . . . 73.14 110.997 179.975 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -77.38 -15.18 59.5 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.205 -0.452 . . . . 72.33 110.855 179.919 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 1.2 tptt -72.82 -57.1 4.33 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.243 -0.435 . . . . 73.53 110.898 179.858 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 1.8 mp -54.59 -29.96 53.09 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.222 -0.444 . . . . 73.14 110.919 179.992 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -66.32 -27.48 67.94 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.222 -0.445 . . . . 74.54 111.162 179.722 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -73.7 -49.43 25.78 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.197 -0.456 . . . . 72.5 110.887 -179.886 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 1.6 mm-40 -73.11 -50.79 20.84 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.112 -0.495 . . . . 74.22 110.864 -179.94 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -56.1 -22.83 30.37 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.244 -0.435 . . . . 72.15 111.074 179.914 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -75.67 -54.8 6.4 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.221 -0.445 . . . . 74.31 111.133 179.947 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -66.59 -29.99 70.17 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.255 -0.429 . . . . 65.01 110.902 179.905 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 5.4 mt -77.86 -41.85 35.45 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.283 -0.417 . . . . 71.33 110.926 179.935 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 5.1 mt -50.78 -49.48 58.14 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.185 -0.461 . . . . 73.35 110.887 179.941 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 44.1 mt-10 -90.02 11.88 19.32 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.211 -0.449 . . . . 72.13 110.918 179.897 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . -55.24 -17.99 12.54 Favored Glycine 0 N--CA 1.451 -0.362 0 C-N-CA 120.772 -0.728 . . . . 75.53 112.484 -179.951 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . 164.04 38.27 0.02 OUTLIER Glycine 0 N--CA 1.45 -0.376 0 C-N-CA 120.736 -0.745 . . . . 71.15 112.46 -179.962 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . -150.94 90.64 0.13 Allowed Glycine 0 N--CA 1.451 -0.305 0 C-N-CA 120.758 -0.734 . . . . 73.21 112.445 -179.88 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . -73.69 76.85 0.97 Allowed Glycine 0 N--CA 1.45 -0.375 0 C-N-CA 120.751 -0.738 . . . . 75.21 112.5 -179.927 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . 106.85 148.79 15.49 Favored Glycine 0 N--CA 1.452 -0.247 0 C-N-CA 120.699 -0.762 . . . . 42.35 112.473 -179.899 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -132.2 -97.2 0.68 Allowed Glycine 0 N--CA 1.45 -0.369 0 C-N-CA 120.809 -0.71 . . . . 74.43 112.482 -179.945 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . -101.72 -23.5 9.32 Favored Glycine 0 N--CA 1.45 -0.392 0 C-N-CA 120.76 -0.734 . . . . 65.41 112.505 -179.914 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 153.75 -125.04 1.67 Allowed Glycine 0 N--CA 1.451 -0.304 0 C-N-CA 120.792 -0.718 . . . . 75.13 112.527 -179.879 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 36' ' ' GLU . . . . . 0.627 ' HE2' ' HD2' ' A' ' 39' ' ' LYS . 27.3 tp10 -77.35 -21.36 53.48 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-O 120.849 0.357 . . . . 73.43 110.876 -179.908 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 1.5 pt? -50.18 -30.55 11.67 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.157 -0.474 . . . . 72.43 110.872 -179.96 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 38' ' ' MET . . . . . . . . . . . . . 27.0 ttm -69.86 -51.12 35.98 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.163 -0.471 . . . . 64.34 110.91 179.848 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 39' ' ' LYS . . . . . 0.627 ' HD2' ' HE2' ' A' ' 36' ' ' GLU . 10.1 tttt -65.7 -27.67 68.51 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.206 -0.452 . . . . 73.01 110.919 179.969 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 1.8 mt -53.75 -36.2 62.06 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.177 -0.465 . . . . 72.31 110.919 179.908 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 41' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -75.34 -53.74 8.23 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.15 -0.477 . . . . 75.34 110.883 179.882 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 9.3 tm-20 -53.25 -24.96 12.6 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.21 -0.45 . . . . 72.34 110.892 -179.883 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 2.1 mt-10 -59.88 -18.13 42.22 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.197 -0.456 . . . . 73.12 110.873 -179.95 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -50.89 -50.2 57.74 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.171 -0.468 . . . . 75.3 111.097 179.922 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -69.31 -22.86 63.75 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.28 -0.418 . . . . 71.15 111.097 179.965 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -76.24 -52.7 9.48 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.185 -0.461 . . . . 71.35 110.926 179.937 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 7.8 mmtm -73.33 -24.47 60.37 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.198 -0.456 . . . . 75.42 110.913 179.827 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -59.5 -50.81 72.48 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.201 -0.454 . . . . 63.52 111.079 179.853 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -67.9 -27.82 66.98 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.268 -0.424 . . . . 71.35 110.824 -179.881 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -74.04 -49.01 26.14 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.179 -0.464 . . . . 71.21 110.867 -179.836 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 3.6 pp -73.35 -41.25 63.68 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.189 -0.46 . . . . 72.25 110.942 179.985 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 52' ' ' PHE . . . . . . . . . . . . . 74.9 t80 -53.48 -27.74 26.84 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.144 -0.48 . . . . 75.44 110.898 179.982 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -51.72 -60.74 2.82 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.174 -0.466 . . . . 74.44 110.896 179.907 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 54' ' ' LEU . . . . . . . . . . . . . 4.5 mm? -77.45 -27.08 52.02 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.206 -0.452 . . . . 75.31 110.908 179.956 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -53.63 -37.13 62.77 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.159 -0.473 . . . . 74.21 111.102 179.845 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 3.2 pt-20 -67.31 -26.47 66.53 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.175 -0.466 . . . . 75.53 110.885 -179.919 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 6.4 tp10 -68.75 -50.23 52.22 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.142 -0.481 . . . . 71.32 110.919 -179.929 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -78.9 -13.67 59.67 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.06 -0.518 . . . . 75.43 110.858 -179.893 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 59' ' ' LEU . . . . . . . . . . . . . 34.6 mt -93.38 -68.62 0.79 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.233 -0.439 . . . . 74.33 110.866 -179.971 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -119.7 -81.99 0.64 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.206 -0.452 . . . . 74.44 110.902 179.902 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 179.18 -68.92 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.214 -0.448 . . . . 74.11 110.846 179.803 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 17.9 mt . . . . . 0 C--N 1.328 -0.335 0 CA-C-N 116.193 -0.458 . . . . 74.35 110.923 179.932 . . . . . . . . 0 0 . 1 . 018 nuclear orig core ' B' B ' 1' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.232 0.172 0 CA-C-O 120.787 0.327 . . . . 71.31 110.818 . . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 2' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 59.59 179.31 0.08 Allowed 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.232 -0.44 . . . . 73.54 110.89 179.928 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' B' B ' 3' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -173.83 -37.11 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.203 -0.453 . . . . 71.02 110.921 179.853 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' B' B ' 4' ' ' LEU . . . . . . . . . . . . . 1.4 pp -81.38 -25.68 36.08 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.183 -0.462 . . . . 72.13 110.899 179.93 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 5' ' ' ARG . . . . . . . . . . . . . 26.0 mtt85 -69.54 -24.69 63.76 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.178 -0.464 . . . . 72.51 110.895 179.977 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 6' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -53.64 -27.92 30.04 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.168 -0.469 . . . . 74.22 110.853 -179.924 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' B' B ' 7' ' ' GLU . . . . . . . . . . . . . 2.9 pp20? -53.74 -35.68 61.49 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.118 -0.492 . . . . 74.3 110.925 -179.941 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 8' ' ' ALA . . . . . . . . . . . . . . . -74.71 -26.81 60.07 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.107 -0.497 . . . . 73.54 111.099 179.931 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 9' ' ' ALA . . . . . . . . . . . . . . . -56.7 -45.56 81.73 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.213 -0.448 . . . . 75.31 111.065 179.954 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 10' ' ' LYS . . . . . . . . . . . . . 24.9 mtpt -55.83 -41.53 74.4 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.183 -0.462 . . . . 72.2 110.918 -179.992 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 11' ' ' LEU . . . . . . . . . . . . . 18.2 mt -51.81 -44.61 63.56 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.266 -0.425 . . . . 54.24 110.926 179.885 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 12' ' ' PHE . . . . . . . . . . . . . 5.0 m-85 -74.24 -21.92 59.57 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.133 -0.485 . . . . 73.34 110.903 179.928 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 13' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -60.69 -49.35 77.87 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.146 -0.479 . . . . 73.35 110.832 -179.872 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' B' B ' 14' ' ' GLU . . . . . . . . . . . . . 7.3 mt-10 -64.75 -34.76 79.09 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.152 -0.476 . . . . 62.33 110.919 -179.912 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 15' ' ' TRP . . . . . . . . . . . . . 9.8 t-105 -52.7 -53.8 42.51 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.179 -0.464 . . . . 74.24 110.894 -179.971 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 16' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -78.37 -14.78 59.24 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.202 -0.454 . . . . 74.45 110.901 179.92 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' B' B ' 17' ' ' LYS . . . . . . . . . . . . . 1.5 tptt -68.31 -62.87 1.2 Allowed 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.239 -0.437 . . . . 73.14 110.924 179.885 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 18' ' ' LEU . . . . . . . . . . . . . 3.7 mp -56.28 -29.2 60.85 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.193 -0.458 . . . . 71.24 110.888 179.919 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 19' ' ' ALA . . . . . . . . . . . . . . . -67.99 -14.94 63.36 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.187 -0.461 . . . . 73.13 111.119 179.769 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 20' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -71.31 -49.18 45.37 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.236 -0.438 . . . . 64.2 110.904 -179.95 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' B' B ' 21' ' ' GLU . . . . . . . . . . . . . 1.6 mm-40 -66.86 -51.59 53.71 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.135 -0.484 . . . . 64.42 110.875 -179.922 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 22' ' ' ALA . . . . . . . . . . . . . . . -58.95 -22.98 61.02 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.166 -0.47 . . . . 75.33 111.054 179.93 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 23' ' ' ALA . . . . . . . . . . . . . . . -76.33 -54.79 6.26 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.249 -0.432 . . . . 54.1 111.129 179.971 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 24' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -65.17 -30.72 71.66 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.187 -0.461 . . . . 74.21 110.899 179.981 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' B' B ' 25' ' ' LEU . . . . . . . . . . . . . 6.8 mt -77.88 -41.7 35.83 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.21 -0.45 . . . . 72.15 110.872 179.938 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 26' ' ' LEU . . . . . . . . . . . . . 2.6 mt -50.81 -48.6 59.68 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.211 -0.449 . . . . 73.41 110.89 179.939 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 27' ' ' GLU . . . . . . . . . . . . . 45.5 mt-10 -91.04 12.7 18.97 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.197 -0.456 . . . . 74.3 110.871 179.926 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 28' ' ' GLY . . . . . . . . . . . . . . . -54.19 -18.76 10.03 Favored Glycine 0 N--CA 1.451 -0.323 0 C-N-CA 120.693 -0.765 . . . . 65.3 112.466 -179.957 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 29' ' ' GLY . . . . . . . . . . . . . . . 168.42 46.53 0.03 OUTLIER Glycine 0 N--CA 1.452 -0.247 0 C-N-CA 120.704 -0.76 . . . . 74.13 112.46 -179.954 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 30' ' ' GLY . . . . . . . . . . . . . . . -146.79 90.8 0.15 Allowed Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.767 -0.73 . . . . 63.22 112.5 -179.93 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 31' ' ' GLY . . . . . . . . . . . . . . . -84.61 52.02 4.64 Favored Glycine 0 N--CA 1.452 -0.3 0 C-N-CA 120.748 -0.739 . . . . 65.04 112.466 -179.927 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 32' ' ' GLY . . . . . . . . . . . . . . . 85.92 115.83 0.88 Allowed Glycine 0 N--CA 1.451 -0.303 0 C-N-CA 120.691 -0.766 . . . . 43.43 112.551 -179.907 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 33' ' ' GLY . . . . . . . . . . . . . . . -174.94 -113.75 0.34 Allowed Glycine 0 N--CA 1.451 -0.31 0 C-N-CA 120.74 -0.743 . . . . 73.35 112.439 -179.858 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 34' ' ' GLY . . . . . . . . . . . . . . . -112.24 23.78 15.45 Favored Glycine 0 N--CA 1.452 -0.298 0 C-N-CA 120.681 -0.771 . . . . 71.35 112.421 -179.876 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 35' ' ' GLY . . . . . . . . . . . . . . . -158.15 -38.94 0.02 OUTLIER Glycine 0 N--CA 1.453 -0.205 0 C-N-CA 120.722 -0.752 . . . . 65.31 112.464 -179.957 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 36' ' ' GLU . . . . . . . . . . . . . 33.0 tp10 -51.67 -26.4 9.09 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.842 0.353 . . . . 74.11 110.856 -179.853 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 37' ' ' LEU . . . . . . . . . . . . . 2.3 pt? -52.15 -26.36 11.18 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.138 -0.483 . . . . 73.41 110.879 -179.955 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 38' ' ' MET . . . . . . . . . . . . . 33.2 ttm -56.74 -22.56 36.47 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.22 -0.445 . . . . 73.34 110.949 179.816 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 39' ' ' LYS . . . . . . . . . . . . . 10.7 tttt -52.02 -26.31 10.51 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.189 -0.459 . . . . 72.44 110.896 179.95 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 40' ' ' LEU . . . . . . . . . . . . . 1.8 mt -51.77 -33.06 33.52 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.191 -0.459 . . . . 74.54 110.918 179.946 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 41' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -75.54 -36.99 60.34 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.221 -0.445 . . . . 64.13 110.865 179.913 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' B' B ' 42' ' ' GLU . . . . . . . . . . . . . 9.1 tm-20 -52.73 -24.06 7.97 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.159 -0.473 . . . . 72.12 110.935 -179.849 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 43' ' ' GLU . . . . . . . . . . . . . 2.2 mt-10 -54.54 -21.17 9.45 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.174 -0.466 . . . . 65.53 110.87 -179.948 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 44' ' ' ALA . . . . . . . . . . . . . . . -50.61 -46.47 58.04 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.205 -0.452 . . . . 63.05 111.1 179.964 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 45' ' ' ALA . . . . . . . . . . . . . . . -71.98 -23.04 61.36 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.225 -0.443 . . . . 74.01 111.103 179.899 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 46' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -66.35 -48.61 69.65 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.22 -0.446 . . . . 74.12 110.858 179.999 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' B' B ' 47' ' ' LYS . . . . . . . . . . . . . 7.8 mmtm -74.15 -30.58 62.34 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.173 -0.467 . . . . 65.32 110.934 179.858 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 48' ' ' ALA . . . . . . . . . . . . . . . -62.35 -44.79 95.66 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.24 -0.436 . . . . 64.14 111.092 179.877 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 49' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -66.83 -28.11 68.09 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.222 -0.444 . . . . 72.45 110.891 -179.947 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' B' B ' 50' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -73.96 -48.96 26.88 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.138 -0.483 . . . . 63.42 110.846 -179.95 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' B' B ' 51' ' ' LEU . . . . . . . . . . . . . 4.0 pp -72.86 -33.94 66.42 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.197 -0.456 . . . . 73.42 110.949 -179.954 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 52' ' ' PHE . . . . . . . . . . . . . 79.6 t80 -53.86 -27.64 31.2 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.19 -0.459 . . . . 74.24 110.914 179.931 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 53' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -51.99 -59.13 4.7 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.111 -0.495 . . . . 73.3 110.902 179.952 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' B' B ' 54' ' ' LEU . . . . . . . . . . . . . 4.5 mm? -75.29 -23.39 57.38 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.272 -0.422 . . . . 74.04 110.966 179.882 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 55' ' ' ALA . . . . . . . . . . . . . . . -53.93 -35.19 61.42 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.158 -0.474 . . . . 54.2 111.112 179.752 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 56' ' ' GLU . . . . . . . . . . . . . 3.7 pt-20 -68.81 -26.11 65.01 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.162 -0.472 . . . . 73.3 110.934 -179.907 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 57' ' ' GLU . . . . . . . . . . . . . 6.4 tp10 -68.36 -50.03 55.99 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.142 -0.481 . . . . 65.24 110.919 -179.964 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 58' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -78.98 -13.83 59.56 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.147 -0.479 . . . . 74.02 110.837 -179.928 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' B' B ' 59' ' ' LEU . . . . . . . . . . . . . 32.5 mt -93.04 -67.69 0.84 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.217 -0.447 . . . . 74.21 110.926 -179.963 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 60' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -119.27 -81.49 0.63 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.194 -0.457 . . . . 73.14 110.925 179.804 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' B' B ' 61' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 178.49 -69.84 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.203 -0.453 . . . . 64.45 110.919 179.859 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' B' B ' 62' ' ' LEU . . . . . . . . . . . . . 16.2 mt . . . . . 0 C--N 1.328 -0.33 0 CA-C-N 116.256 -0.429 . . . . 74.51 110.918 179.894 . . . . . . . . 0 0 . 1 . 019 nuclear orig core ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.23 0.044 0 CA-C-O 120.891 0.377 . . . . 75.12 110.851 . . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -179.65 -34.84 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.132 -0.485 . . . . 75.14 110.894 179.858 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 4.2 mm? -51.39 -64.77 0.71 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.125 -0.489 . . . . 73.55 110.898 179.929 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 1.7 ptp180 -72.22 -37.87 69.12 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.264 -0.426 . . . . 75.2 110.943 179.947 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 1.5 tm-20 -53.43 -28.61 30.91 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.191 -0.459 . . . . 65.02 110.912 -179.992 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 1.2 mm-40 -55.54 -30.04 60.04 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.14 -0.482 . . . . 74.23 110.922 179.992 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -76.11 -29.21 57.78 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.125 -0.488 . . . . 72.31 111.157 179.909 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -69.52 -37.14 77.0 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.225 -0.443 . . . . 74.34 111.122 179.904 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 12.6 mtmt -56.19 -26.39 50.59 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.138 -0.483 . . . . 71.32 110.918 179.937 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 65.0 mt -52.27 -45.57 65.49 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.213 -0.449 . . . . 71.01 110.864 -179.97 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 23.5 m-85 -73.48 -27.28 61.31 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.217 -0.447 . . . . 75.11 110.868 179.956 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 1.6 tt0 -58.46 -37.15 74.87 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.159 -0.473 . . . . 71.32 110.834 -179.898 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 8.1 mt-10 -74.93 -34.91 62.18 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.167 -0.469 . . . . 73.21 110.893 -179.926 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 15' ' ' TRP . . . . . . . . . . . . . 19.4 m0 -53.91 -54.86 32.81 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.178 -0.465 . . . . 74.54 110.885 -179.993 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -69.95 -24.42 63.34 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.228 -0.442 . . . . 75.52 110.96 179.903 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -69.85 -52.64 23.2 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.172 -0.467 . . . . 72.22 110.901 179.823 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 4.5 mt -54.93 -35.03 63.77 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.17 -0.468 . . . . 72.55 110.905 179.89 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -61.12 -33.73 73.85 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.225 -0.443 . . . . 74.11 111.084 179.859 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 1.8 mt-10 -57.58 -49.34 76.71 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.233 -0.439 . . . . 74.24 110.838 -179.89 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -73.94 -49.58 24.03 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.142 -0.481 . . . . 54.31 110.879 -179.899 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -55.7 -30.86 61.82 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.122 -0.49 . . . . 74.33 111.099 179.96 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -71.01 -54.23 11.96 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.134 -0.485 . . . . 53.41 111.189 179.892 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -62.94 -34.8 78.25 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.18 -0.464 . . . . 75.53 110.944 179.901 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 6.4 mt -76.58 -39.03 53.89 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.218 -0.447 . . . . 75.21 110.984 179.91 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 3.4 mt -50.6 -50.09 54.9 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.137 -0.483 . . . . 63.24 110.886 179.859 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 22.1 mt-10 -91.03 12.26 20.35 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.169 -0.468 . . . . 73.34 110.828 179.989 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . -59.44 -14.46 27.49 Favored Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 120.74 -0.743 . . . . 64.11 112.487 -179.988 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . 135.43 46.01 0.09 OUTLIER Glycine 0 N--CA 1.452 -0.291 0 C-N-CA 120.703 -0.76 . . . . 73.2 112.486 -179.869 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . -173.03 -55.58 0.05 OUTLIER Glycine 0 N--CA 1.452 -0.243 0 C-N-CA 120.738 -0.744 . . . . 61.24 112.489 -179.929 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . -56.22 122.38 27.51 Favored Glycine 0 N--CA 1.452 -0.25 0 C-N-CA 120.714 -0.755 . . . . 34.31 112.499 -179.929 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . -70.99 -119.58 0.05 OUTLIER Glycine 0 N--CA 1.453 -0.227 0 C-N-CA 120.742 -0.742 . . . . 63.42 112.474 -179.946 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . 93.67 -123.65 7.51 Favored Glycine 0 N--CA 1.451 -0.34 0 C-N-CA 120.755 -0.736 . . . . 74.35 112.521 -179.819 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 56.94 89.95 0.01 OUTLIER Glycine 0 N--CA 1.451 -0.339 0 C-N-CA 120.774 -0.727 . . . . 72.02 112.493 -179.877 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 136.7 -168.62 24.16 Favored Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.736 -0.745 . . . . 71.34 112.484 -179.88 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 16.7 tt0 -54.24 -31.69 54.07 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.847 0.356 . . . . 75.42 110.886 -179.858 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 33.1 tp -61.46 -57.81 10.69 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.198 -0.455 . . . . 75.21 110.939 -179.99 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 38' ' ' MET . . . . . . . . . . . . . 1.0 OUTLIER -63.67 -25.67 68.32 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.247 -0.433 . . . . 74.34 110.876 179.747 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -56.43 -27.89 57.92 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.266 -0.425 . . . . 72.03 110.912 179.975 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 11.4 mt -73.75 -28.44 61.69 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.218 -0.446 . . . . 74.22 110.956 179.886 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 41' ' ' CYS . . . . . . . . . . . . . 36.4 t -65.36 -38.89 91.46 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.149 -0.478 . . . . 74.44 110.895 179.964 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -72.8 -26.08 61.38 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.189 -0.46 . . . . 75.53 110.86 -179.897 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 4.6 mm-40 -59.47 -30.02 68.22 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.148 -0.478 . . . . 74.34 110.913 -179.951 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -51.94 -43.41 63.47 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.213 -0.449 . . . . 74.31 111.06 179.933 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -75.15 -23.09 57.75 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.29 -0.413 . . . . 64.0 111.088 179.95 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -71.88 -46.48 57.69 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.221 -0.445 . . . . 73.11 110.825 179.969 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -65.25 -56.53 12.24 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.249 -0.432 . . . . 75.04 110.893 179.914 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -52.89 -46.32 67.93 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.244 -0.435 . . . . 70.11 111.147 179.799 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 4.1 tt0 -67.28 -42.54 83.64 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.218 -0.446 . . . . 73.04 110.952 -179.995 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 1.4 mt-10 -59.49 -49.17 78.81 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.121 -0.49 . . . . 73.13 110.91 -179.962 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 1.5 mt -69.91 -43.69 71.2 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.192 -0.458 . . . . 71.4 110.949 179.958 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 52' ' ' PHE . . . . . . . . . . . . . 16.5 t80 -60.88 -36.71 79.91 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.16 -0.473 . . . . 73.54 110.896 179.922 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 30.0 tptt -52.19 -58.14 7.52 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.101 -0.5 . . . . 74.45 110.906 -179.955 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 54' ' ' LEU . . . . . . . . . . . . . 19.0 mt -74.86 -23.51 58.43 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.216 -0.447 . . . . 73.35 110.959 179.867 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -57.16 -35.55 69.68 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.179 -0.464 . . . . 72.44 111.089 179.806 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 19.9 mt-10 -57.08 -22.67 41.16 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.171 -0.468 . . . . 73.23 110.848 -179.887 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 52.8 tp10 -72.87 -54.37 8.93 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.131 -0.486 . . . . 72.25 110.879 -179.854 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -77.36 -22.64 51.43 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.139 -0.482 . . . . 75.24 110.923 -179.962 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 59' ' ' LEU . . . . . . . . . . . . . 3.7 mm? -112.91 -173.93 2.35 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.11 -0.496 . . . . 71.45 110.879 -179.961 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 2.7 mtpm? 51.33 -169.5 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.146 -0.479 . . . . 74.3 110.927 179.874 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -121.0 -29.42 4.59 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.26 -0.427 . . . . 72.32 110.888 179.898 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 3.8 pp . . . . . 0 C--N 1.328 -0.345 0 CA-C-N 116.244 -0.434 . . . . 75.32 110.876 179.921 . . . . . . . . 0 0 . 1 . 019 nuclear orig core ' B' B ' 1' ' ' MET . . . . . . . . . . . . . 7.7 mtt . . . . . 0 C--O 1.23 0.069 0 CA-C-O 120.869 0.366 . . . . 71.02 110.909 . . . . . . . . . 0 0 . 1 . 019 nuclear orig core ' B' B ' 2' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 63.39 160.4 0.09 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.181 -0.463 . . . . 74.25 110.914 179.984 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' B' B ' 3' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -178.45 -37.22 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.201 -0.454 . . . . 74.13 110.944 179.926 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' B' B ' 4' ' ' LEU . . . . . . . . . . . . . 4.1 mm? -52.49 -62.55 1.57 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.093 -0.503 . . . . 75.23 110.945 179.905 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 5' ' ' ARG . . . . . . . . . . . . . 1.6 ptp180 -70.86 -35.75 72.53 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.142 -0.481 . . . . 74.24 110.884 179.935 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 6' ' ' GLU . . . . . . . . . . . . . 1.4 tm-20 -53.77 -26.65 24.61 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.207 -0.451 . . . . 71.54 110.878 -179.961 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 7' ' ' GLU . . . . . . . . . . . . . 1.2 mm-40 -53.59 -28.44 32.28 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.141 -0.482 . . . . 71.33 110.861 -179.907 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 8' ' ' ALA . . . . . . . . . . . . . . . -76.06 -30.76 58.49 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.145 -0.479 . . . . 52.01 111.102 179.927 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 9' ' ' ALA . . . . . . . . . . . . . . . -71.57 -36.19 70.82 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.251 -0.431 . . . . 72.11 111.118 179.938 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 10' ' ' LYS . . . . . . . . . . . . . 13.1 mtmt -55.84 -25.05 40.19 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.192 -0.458 . . . . 71.43 110.899 179.953 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 11' ' ' LEU . . . . . . . . . . . . . 66.2 mt -51.82 -44.89 63.71 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.205 -0.452 . . . . 74.2 110.981 179.874 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 12' ' ' PHE . . . . . . . . . . . . . 23.4 m-85 -74.04 -28.18 61.29 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.202 -0.454 . . . . 73.32 110.901 179.918 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 13' ' ' GLU . . . . . . . . . . . . . 1.6 tt0 -57.71 -36.69 72.34 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.167 -0.469 . . . . 73.52 110.927 -179.966 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 14' ' ' GLU . . . . . . . . . . . . . 8.3 mt-10 -75.09 -35.2 61.8 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.13 -0.487 . . . . 42.2 110.923 -179.97 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 15' ' ' TRP . . . . . . . . . . . . . 19.4 m0 -53.94 -54.38 39.63 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.128 -0.487 . . . . 72.15 110.908 -179.939 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 16' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -69.23 -24.33 63.99 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.255 -0.429 . . . . 71.32 110.939 179.92 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' B' B ' 17' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -70.81 -52.49 20.18 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.147 -0.479 . . . . 72.35 110.877 179.835 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' B' B ' 18' ' ' LEU . . . . . . . . . . . . . 4.5 mt -54.78 -35.05 63.41 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.274 -0.421 . . . . 74.11 110.902 179.904 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 19' ' ' ALA . . . . . . . . . . . . . . . -61.46 -34.07 74.82 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.216 -0.447 . . . . 73.55 111.056 179.864 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 20' ' ' GLU . . . . . . . . . . . . . 1.9 mt-10 -57.52 -49.26 76.9 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.182 -0.463 . . . . 72.14 110.93 -179.954 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 21' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -73.65 -49.89 23.73 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.126 -0.488 . . . . 75.31 110.891 -179.922 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' B' B ' 22' ' ' ALA . . . . . . . . . . . . . . . -55.54 -30.91 61.58 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.162 -0.472 . . . . 74.42 111.114 179.943 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 23' ' ' ALA . . . . . . . . . . . . . . . -71.08 -54.32 11.55 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.229 -0.442 . . . . 75.32 111.079 179.969 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 24' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -62.92 -34.75 78.11 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.22 -0.445 . . . . 74.41 110.945 179.916 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' B' B ' 25' ' ' LEU . . . . . . . . . . . . . 6.4 mt -76.64 -38.91 53.86 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.246 -0.434 . . . . 75.5 110.954 179.872 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 26' ' ' LEU . . . . . . . . . . . . . 3.4 mt -50.6 -50.11 54.85 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.195 -0.457 . . . . 72.33 110.974 179.807 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 27' ' ' GLU . . . . . . . . . . . . . 22.0 mt-10 -91.16 12.41 20.15 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.217 -0.447 . . . . 73.03 110.861 179.934 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 28' ' ' GLY . . . . . . . . . . . . . . . -59.63 -14.43 28.77 Favored Glycine 0 N--CA 1.452 -0.26 0 C-N-CA 120.647 -0.787 . . . . 70.22 112.444 -179.935 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 29' ' ' GLY . . . . . . . . . . . . . . . 135.46 46.57 0.09 OUTLIER Glycine 0 N--CA 1.45 -0.392 0 C-N-CA 120.759 -0.734 . . . . 72.42 112.521 -179.889 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 30' ' ' GLY . . . . . . . . . . . . . . . -172.67 -55.92 0.05 OUTLIER Glycine 0 N--CA 1.451 -0.333 0 C-N-CA 120.702 -0.761 . . . . 71.41 112.475 -179.861 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 31' ' ' GLY . . . . . . . . . . . . . . . -56.56 122.8 29.58 Favored Glycine 0 N--CA 1.452 -0.289 0 C-N-CA 120.739 -0.743 . . . . 64.31 112.481 -179.855 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 32' ' ' GLY . . . . . . . . . . . . . . . -70.68 -119.56 0.04 OUTLIER Glycine 0 N--CA 1.45 -0.376 0 C-N-CA 120.75 -0.738 . . . . 71.43 112.501 -179.848 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 33' ' ' GLY . . . . . . . . . . . . . . . 93.75 -123.49 7.46 Favored Glycine 0 N--CA 1.452 -0.282 0 C-N-CA 120.689 -0.767 . . . . 72.24 112.473 -179.945 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 34' ' ' GLY . . . . . . . . . . . . . . . 57.33 90.08 0.01 OUTLIER Glycine 0 N--CA 1.451 -0.366 0 C-N-CA 120.752 -0.737 . . . . 72.22 112.463 -179.926 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 35' ' ' GLY . . . . . . . . . . . . . . . 136.65 -169.09 23.97 Favored Glycine 0 N--CA 1.452 -0.25 0 C-N-CA 120.708 -0.758 . . . . 63.42 112.434 -179.92 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 36' ' ' GLU . . . . . . . . . . . . . 16.8 tt0 -54.66 -32.5 59.31 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-O 120.891 0.377 . . . . 61.31 110.873 -179.902 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 37' ' ' LEU . . . . . . . . . . . . . 31.9 tp -61.71 -57.48 11.77 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.18 -0.464 . . . . 74.33 110.906 -179.954 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 38' ' ' MET . . . . . . . . . . . . . 1.0 OUTLIER -62.62 -25.7 68.24 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.199 -0.455 . . . . 73.32 110.816 179.905 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' B' B ' 39' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -56.4 -28.0 58.03 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.246 -0.433 . . . . 72.51 110.951 179.943 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' B' B ' 40' ' ' LEU . . . . . . . . . . . . . 12.0 mt -71.79 -28.77 63.83 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.13 -0.486 . . . . 74.21 110.969 179.867 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 41' ' ' CYS . . . . . . . . . . . . . 36.4 t -65.48 -39.42 91.91 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.139 -0.482 . . . . 73.32 110.842 179.998 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 42' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -73.04 -26.38 61.28 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.171 -0.468 . . . . 72.24 110.825 -179.832 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' B' B ' 43' ' ' GLU . . . . . . . . . . . . . 4.6 mm-40 -59.64 -30.27 68.61 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.214 -0.448 . . . . 70.24 110.833 -179.871 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 44' ' ' ALA . . . . . . . . . . . . . . . -51.96 -43.53 63.57 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.196 -0.456 . . . . 74.02 111.07 179.922 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 45' ' ' ALA . . . . . . . . . . . . . . . -74.93 -23.11 58.27 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.195 -0.457 . . . . 63.44 111.067 179.984 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 46' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -71.9 -47.16 54.6 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.235 -0.439 . . . . 64.31 110.867 -179.974 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' B' B ' 47' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -65.06 -56.32 13.73 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.226 -0.443 . . . . 63.13 110.845 179.918 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' B' B ' 48' ' ' ALA . . . . . . . . . . . . . . . -52.84 -46.14 67.68 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.194 -0.457 . . . . 64.24 111.038 179.861 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 49' ' ' GLU . . . . . . . . . . . . . 4.1 tt0 -67.46 -42.96 82.19 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.295 -0.412 . . . . 72.45 110.868 -179.881 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 50' ' ' GLU . . . . . . . . . . . . . 1.5 mt-10 -60.31 -48.72 80.56 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.161 -0.472 . . . . 73.35 110.879 -179.951 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 51' ' ' LEU . . . . . . . . . . . . . 1.5 mt -69.63 -42.21 74.61 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 116.191 -0.458 . . . . 72.21 110.927 -179.997 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 52' ' ' PHE . . . . . . . . . . . . . 15.5 t80 -58.99 -36.66 75.26 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.215 -0.448 . . . . 65.34 110.855 179.957 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 53' ' ' LYS . . . . . . . . . . . . . 29.3 tptt -52.03 -59.36 4.44 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.147 -0.479 . . . . 74.21 110.864 179.992 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 54' ' ' LEU . . . . . . . . . . . . . 19.2 mt -75.7 -22.86 56.22 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.255 -0.429 . . . . 74.41 110.916 179.965 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 55' ' ' ALA . . . . . . . . . . . . . . . -56.44 -31.72 64.22 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.194 -0.457 . . . . 61.22 111.147 179.751 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 56' ' ' GLU . . . . . 0.406 ' O ' ' HG3' ' B' ' 60' ' ' LYS . 25.6 mt-10 -60.02 -39.22 85.1 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.192 -0.458 . . . . 73.42 110.921 -179.939 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' B' B ' 57' ' ' GLU . . . . . . . . . . . . . 52.9 tp10 -50.36 -56.07 12.92 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.169 -0.468 . . . . 73.44 110.873 -179.948 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 58' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -81.41 -17.77 47.76 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.196 -0.456 . . . . 64.53 110.911 -179.969 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' B' B ' 59' ' ' LEU . . . . . . . . . . . . . 3.4 mm? -136.04 74.11 1.49 Allowed 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.236 -0.438 . . . . 75.11 110.974 179.986 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 60' ' ' LYS . . . . . 0.406 ' HG3' ' O ' ' B' ' 56' ' ' GLU . 0.1 OUTLIER -86.61 145.54 26.69 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.143 -0.48 . . . . 73.22 110.955 179.836 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' B' B ' 61' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -166.84 -38.46 0.02 OUTLIER 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.291 -0.413 . . . . 75.13 110.872 179.907 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' B' B ' 62' ' ' LEU . . . . . . . . . . . . . 2.5 pp . . . . . 0 C--N 1.328 -0.338 0 CA-C-N 116.211 -0.45 . . . . 73.03 110.868 179.957 . . . . . . . . 0 0 . 1 . 020 nuclear orig core ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.231 0.118 0 CA-C-O 120.92 0.39 . . . . 73.22 110.936 . . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 10.9 mtpt -173.73 -39.99 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.27 -0.423 . . . . 73.32 110.833 179.883 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 4.2 mm? -62.6 -46.5 88.01 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.231 -0.441 . . . . 74.01 110.948 179.863 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 3.1 ptp180 -71.32 -43.04 67.8 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.171 -0.468 . . . . 75.34 110.854 179.93 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -54.07 -29.62 44.96 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.238 -0.437 . . . . 72.23 110.889 -179.901 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 2.9 mm-40 -64.27 -54.56 31.31 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.167 -0.469 . . . . 74.52 110.866 -179.878 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -55.27 -27.02 43.64 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.136 -0.484 . . . . 71.43 111.147 179.898 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -73.72 -40.64 63.42 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.212 -0.449 . . . . 65.11 111.131 179.874 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 4.1 mtmt -58.39 -31.98 68.17 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.215 -0.448 . . . . 74.03 110.912 179.997 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 55.0 mt -51.69 -43.92 62.93 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.254 -0.43 . . . . 71.41 110.865 179.936 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 22.1 m-85 -74.15 -27.77 61.0 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.173 -0.467 . . . . 75.14 110.876 179.992 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 2.7 tt0 -53.74 -27.93 31.39 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.156 -0.474 . . . . 75.04 110.951 -179.93 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 11.4 mt-10 -74.89 -35.48 62.28 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.137 -0.483 . . . . 73.34 110.904 179.988 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 15' ' ' TRP . . . . . . . . . . . . . 2.3 t90 -59.52 -48.79 80.27 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.198 -0.455 . . . . 74.31 110.87 -179.937 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 2.9 ptmm? -75.39 -32.45 60.78 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.246 -0.434 . . . . 74.32 110.91 179.96 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -64.14 -57.41 9.64 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.241 -0.436 . . . . 64.31 110.903 179.848 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 3.0 mt -54.92 -42.2 71.95 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.224 -0.444 . . . . 64.13 110.903 179.927 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -58.23 -24.09 58.05 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.24 -0.436 . . . . 73.04 111.113 179.784 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -73.33 -49.5 27.12 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.227 -0.442 . . . . 74.05 110.866 -179.951 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -73.92 -51.41 16.17 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.164 -0.471 . . . . 74.03 110.917 -179.961 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -53.27 -30.23 37.4 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.116 -0.493 . . . . 74.21 111.11 179.953 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -71.15 -54.08 12.29 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.17 -0.468 . . . . 75.13 111.134 179.867 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 16.5 ptpt -64.75 -33.11 75.19 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.262 -0.426 . . . . 73.4 110.85 -179.99 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 4.4 mt -76.54 -40.98 48.33 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.227 -0.442 . . . . 74.34 110.93 179.945 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 7.5 mt -50.78 -49.22 58.77 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.163 -0.471 . . . . 72.31 110.923 179.875 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 11.7 mt-10 -93.24 12.42 24.6 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.175 -0.466 . . . . 72.52 110.841 179.944 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . -59.86 -14.14 29.06 Favored Glycine 0 N--CA 1.451 -0.302 0 C-N-CA 120.695 -0.764 . . . . 74.54 112.483 -179.965 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . 135.45 44.19 0.1 Allowed Glycine 0 N--CA 1.451 -0.348 0 C-N-CA 120.738 -0.744 . . . . 73.2 112.458 -179.992 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . -178.4 -87.12 0.07 OUTLIER Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.761 -0.733 . . . . 63.0 112.509 -179.917 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . 55.09 -108.95 1.1 Allowed Glycine 0 N--CA 1.451 -0.306 0 C-N-CA 120.766 -0.731 . . . . 72.14 112.435 -179.943 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . -141.36 -106.39 0.62 Allowed Glycine 0 N--CA 1.451 -0.344 0 C-N-CA 120.727 -0.749 . . . . 71.0 112.482 -179.927 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -111.63 -39.27 1.34 Allowed Glycine 0 N--CA 1.451 -0.364 0 C-N-CA 120.778 -0.725 . . . . 71.5 112.45 -179.856 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 111.96 115.02 3.42 Favored Glycine 0 N--CA 1.452 -0.283 0 C-N-CA 120.793 -0.718 . . . . 54.15 112.48 -179.892 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 144.38 -136.23 6.62 Favored Glycine 0 N--CA 1.451 -0.3 0 C-N-CA 120.713 -0.756 . . . . 52.54 112.508 -179.888 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 24.5 tt0 -57.55 -33.01 67.67 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.905 0.383 . . . . 74.22 110.937 -179.943 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 19.3 tp -64.89 -48.4 74.33 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.099 -0.5 . . . . 71.32 110.903 -179.911 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 38' ' ' MET . . . . . . . . . . . . . 37.3 ttm -70.95 -44.97 64.98 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.195 -0.457 . . . . 62.13 110.838 179.807 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -65.28 -28.06 69.07 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.239 -0.437 . . . . 74.12 110.919 179.954 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 4.3 mt -54.42 -40.24 68.1 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.209 -0.45 . . . . 71.52 110.909 179.903 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 41' ' ' CYS . . . . . . . . . . . . . 40.5 t -69.84 -37.13 76.06 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.241 -0.436 . . . . 73.23 110.835 179.973 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -56.44 -25.01 49.13 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.199 -0.455 . . . . 73.2 110.895 -179.882 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 11.4 mm-40 -54.28 -29.67 48.07 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.193 -0.458 . . . . 75.32 110.954 -179.985 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -51.69 -43.07 62.64 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.098 -0.501 . . . . 75.51 111.164 179.845 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -75.1 -22.91 57.95 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.245 -0.434 . . . . 74.22 111.041 179.971 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 4.1 mttp -77.63 -50.3 12.79 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.239 -0.437 . . . . 70.4 110.847 -179.968 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -63.54 -49.02 75.11 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.238 -0.437 . . . . 70.13 110.862 179.911 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -51.84 -37.32 51.44 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.219 -0.446 . . . . 73.44 111.093 179.826 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -66.65 -34.28 77.53 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.158 -0.474 . . . . 72.31 110.942 -179.938 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 10.2 mm-40 -74.18 -40.92 62.2 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.162 -0.472 . . . . 73.44 110.92 -179.988 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 3.4 mt -73.02 -48.11 39.16 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.136 -0.484 . . . . 73.5 110.874 -179.921 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 52' ' ' PHE . . . . . . . . . . . . . 35.0 t80 -54.05 -26.85 28.78 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.216 -0.447 . . . . 64.34 110.948 179.91 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -51.78 -56.17 15.44 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.146 -0.479 . . . . 74.4 110.935 179.897 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 54' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -75.44 -21.75 57.91 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.264 -0.425 . . . . 73.05 110.936 179.883 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -54.05 -29.94 45.99 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.228 -0.442 . . . . 73.31 111.051 179.769 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 56' ' ' GLU . . . . . 0.478 ' O ' ' N ' ' A' ' 60' ' ' LYS . 5.4 pt-20 -76.5 -25.77 54.56 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.256 -0.429 . . . . 74.43 110.942 -179.968 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 34.9 tp10 -63.06 -46.68 86.32 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.194 -0.457 . . . . 74.14 110.932 -179.923 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 58' ' ' ARG . . . . . 0.404 ' CZ ' ' HB3' ' A' ' 58' ' ' ARG . 0.0 OUTLIER -82.65 -12.58 57.53 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.133 -0.485 . . . . 74.51 110.878 -179.946 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 59' ' ' LEU . . . . . . . . . . . . . 31.5 tp -121.51 -77.19 0.58 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.185 -0.461 . . . . 74.42 110.897 -179.913 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 60' ' ' LYS . . . . . 0.478 ' N ' ' O ' ' A' ' 56' ' ' GLU . 2.5 mtpp 70.3 -174.47 0.18 Allowed 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.18 -0.463 . . . . 65.12 110.937 179.824 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER 66.51 22.25 10.65 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.312 -0.404 . . . . 62.04 110.873 179.864 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER . . . . . 0 C--N 1.328 -0.335 0 CA-C-N 116.256 -0.429 . . . . 73.22 110.886 -179.987 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 1' ' ' MET . . . . . . . . . . . . . 6.0 ttm . . . . . 0 C--O 1.232 0.155 0 CA-C-O 120.812 0.339 . . . . 61.35 110.85 . . . . . . . . . 0 0 . 1 . 020 nuclear orig core ' B' B ' 2' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -161.39 154.52 21.1 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.281 -0.418 . . . . 71.42 110.882 179.948 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' B' B ' 3' ' ' LYS . . . . . . . . . . . . . 11.0 mtpt -173.95 -40.14 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.166 -0.47 . . . . 73.24 110.919 179.879 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 4' ' ' LEU . . . . . . . . . . . . . 4.2 mm? -62.44 -46.16 89.77 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.192 -0.458 . . . . 74.43 110.892 179.904 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 5' ' ' ARG . . . . . . . . . . . . . 2.8 ptp180 -71.31 -42.58 68.45 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.172 -0.467 . . . . 74.52 110.833 179.988 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 6' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -53.66 -29.51 38.86 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.256 -0.429 . . . . 75.15 110.893 -179.927 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' B' B ' 7' ' ' GLU . . . . . . . . . . . . . 3.0 mm-40 -63.46 -54.52 35.14 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.183 -0.462 . . . . 72.4 110.912 -179.935 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 8' ' ' ALA . . . . . . . . . . . . . . . -56.24 -26.83 52.85 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.129 -0.487 . . . . 70.54 111.047 179.928 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 9' ' ' ALA . . . . . . . . . . . . . . . -71.68 -38.76 70.57 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.191 -0.458 . . . . 73.2 111.121 179.953 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 10' ' ' LYS . . . . . . . . . . . . . 4.5 mtmt -55.9 -34.07 65.22 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.194 -0.457 . . . . 72.25 110.91 -179.994 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 11' ' ' LEU . . . . . . . . . . . . . 40.2 mt -51.82 -42.73 62.75 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.179 -0.464 . . . . 72.55 110.961 179.928 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 12' ' ' PHE . . . . . . . . . . . . . 23.4 m-85 -74.16 -27.48 60.85 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.199 -0.455 . . . . 73.0 110.906 179.868 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 13' ' ' GLU . . . . . . . . . . . . . 2.7 tt0 -53.82 -32.52 53.08 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.103 -0.499 . . . . 62.42 110.853 -179.861 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 14' ' ' GLU . . . . . . . . . . . . . 8.4 mt-10 -75.0 -29.24 60.82 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.246 -0.434 . . . . 73.41 110.849 -179.944 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 15' ' ' TRP . . . . . . . . . . . . . 2.2 t90 -61.63 -52.13 65.62 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.166 -0.47 . . . . 72.44 110.926 -179.989 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 16' ' ' LYS . . . . . . . . . . . . . 3.0 ptmm? -75.98 -32.74 59.6 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.319 -0.401 . . . . 72.53 110.902 179.865 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 17' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -58.83 -62.21 2.04 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.248 -0.433 . . . . 74.31 110.894 179.884 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' B' B ' 18' ' ' LEU . . . . . . . . . . . . . 3.3 mt -54.94 -43.39 73.35 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 116.264 -0.425 . . . . 72.15 110.872 179.914 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 19' ' ' ALA . . . . . . . . . . . . . . . -57.96 -21.66 45.31 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.199 -0.455 . . . . 73.42 111.169 179.754 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 20' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -73.05 -49.21 29.95 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.124 -0.489 . . . . 71.11 110.869 -179.909 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' B' B ' 21' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -71.59 -51.78 21.56 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.147 -0.479 . . . . 73.15 110.855 -179.908 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' B' B ' 22' ' ' ALA . . . . . . . . . . . . . . . -53.94 -30.45 46.63 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.145 -0.48 . . . . 71.44 111.15 179.893 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 23' ' ' ALA . . . . . . . . . . . . . . . -71.54 -53.63 13.19 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.242 -0.435 . . . . 75.32 111.08 179.969 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 24' ' ' LYS . . . . . . . . . . . . . 16.5 ptpt -64.63 -33.66 76.45 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.234 -0.439 . . . . 75.32 110.845 -179.994 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 25' ' ' LEU . . . . . . . . . . . . . 5.1 mt -76.34 -40.44 51.3 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.219 -0.446 . . . . 75.14 110.92 179.951 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 26' ' ' LEU . . . . . . . . . . . . . 7.0 mt -50.62 -50.05 55.22 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.144 -0.48 . . . . 71.54 110.875 179.878 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 27' ' ' GLU . . . . . . . . . . . . . 12.6 mt-10 -95.15 12.54 28.39 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.288 -0.415 . . . . 72.32 110.896 179.935 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 28' ' ' GLY . . . . . . . . . . . . . . . -59.64 -14.46 28.93 Favored Glycine 0 N--CA 1.451 -0.33 0 C-N-CA 120.727 -0.749 . . . . 74.34 112.49 -179.943 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 29' ' ' GLY . . . . . . . . . . . . . . . 135.23 45.63 0.1 OUTLIER Glycine 0 N--CA 1.451 -0.325 0 C-N-CA 120.727 -0.749 . . . . 61.44 112.449 -179.962 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 30' ' ' GLY . . . . . . . . . . . . . . . -176.88 -87.36 0.07 OUTLIER Glycine 0 N--CA 1.452 -0.29 0 C-N-CA 120.75 -0.738 . . . . 74.41 112.469 -179.96 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 31' ' ' GLY . . . . . . . . . . . . . . . 55.69 -107.16 0.73 Allowed Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.752 -0.737 . . . . 64.42 112.535 -179.816 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 32' ' ' GLY . . . . . . . . . . . . . . . -140.63 -106.38 0.64 Allowed Glycine 0 N--CA 1.451 -0.352 0 C-N-CA 120.742 -0.742 . . . . 74.13 112.502 -179.881 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 33' ' ' GLY . . . . . . . . . . . . . . . -111.51 -38.02 1.52 Allowed Glycine 0 N--CA 1.45 -0.381 0 C-N-CA 120.725 -0.75 . . . . 51.25 112.538 -179.979 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 34' ' ' GLY . . . . . . . . . . . . . . . 112.26 112.94 3.24 Favored Glycine 0 N--CA 1.452 -0.3 0 C-N-CA 120.753 -0.737 . . . . 73.44 112.512 -179.911 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 35' ' ' GLY . . . . . . . . . . . . . . . 142.47 -135.5 6.63 Favored Glycine 0 N--CA 1.451 -0.335 0 C-N-CA 120.696 -0.764 . . . . 71.05 112.463 -179.903 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 36' ' ' GLU . . . . . . . . . . . . . 24.4 tt0 -57.66 -31.64 66.52 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 120.867 0.365 . . . . 75.31 110.926 -179.931 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 37' ' ' LEU . . . . . . . . . . . . . 19.8 tp -63.73 -48.49 76.85 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.139 -0.482 . . . . 64.33 110.923 179.991 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 38' ' ' MET . . . . . . . . . . . . . 37.6 ttm -72.53 -44.32 62.34 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.204 -0.453 . . . . 74.31 110.845 179.876 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 39' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -64.29 -27.87 69.33 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.252 -0.431 . . . . 75.25 110.885 179.979 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' B' B ' 40' ' ' LEU . . . . . . . . . . . . . 4.1 mt -53.99 -43.04 69.65 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.24 -0.437 . . . . 73.01 110.903 179.922 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 41' ' ' CYS . . . . . . . . . . . . . 32.5 t -75.11 -27.43 59.84 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.199 -0.455 . . . . 74.24 110.916 179.949 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 42' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -53.65 -25.56 18.53 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.165 -0.47 . . . . 63.52 110.871 -179.888 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' B' B ' 43' ' ' GLU . . . . . . . . . . . . . 11.5 mm-40 -54.6 -33.06 59.78 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.165 -0.471 . . . . 70.4 110.857 -179.931 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 44' ' ' ALA . . . . . . . . . . . . . . . -51.63 -42.57 62.11 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.122 -0.49 . . . . 74.51 111.103 179.957 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 45' ' ' ALA . . . . . . . . . . . . . . . -74.92 -23.07 58.29 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.24 -0.436 . . . . 74.04 111.159 179.874 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 46' ' ' LYS . . . . . . . . . . . . . 4.1 mttp -78.13 -49.92 12.98 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.135 -0.484 . . . . 70.44 110.865 -179.98 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 47' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -62.44 -43.56 98.52 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.295 -0.411 . . . . 73.4 110.858 179.919 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' B' B ' 48' ' ' ALA . . . . . . . . . . . . . . . -51.86 -41.45 61.88 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.3 -0.409 . . . . 54.3 111.113 179.77 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 49' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -70.63 -32.03 69.21 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.197 -0.456 . . . . 70.33 110.838 -179.878 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' B' B ' 50' ' ' GLU . . . . . . . . . . . . . 10.0 mm-40 -73.98 -41.09 62.45 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.157 -0.474 . . . . 74.53 110.957 -179.98 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 51' ' ' LEU . . . . . . . . . . . . . 4.6 mt -72.53 -53.23 12.6 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.173 -0.467 . . . . 74.01 110.942 179.995 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 52' ' ' PHE . . . . . . . . . . . . . 34.8 t80 -56.11 -24.89 43.42 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.174 -0.467 . . . . 75.52 110.898 179.907 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 53' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -52.37 -56.02 17.71 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.182 -0.463 . . . . 74.12 110.878 -179.991 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' B' B ' 54' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -75.28 -21.95 58.14 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.22 -0.446 . . . . 65.12 110.968 179.844 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' B' B ' 55' ' ' ALA . . . . . . . . . . . . . . . -53.87 -30.0 43.91 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.169 -0.469 . . . . 64.43 111.076 179.827 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 56' ' ' GLU . . . . . 0.477 ' O ' ' N ' ' B' ' 60' ' ' LYS . 5.4 pt-20 -76.82 -25.82 53.67 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.262 -0.426 . . . . 74.41 110.876 -179.963 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' B' B ' 57' ' ' GLU . . . . . . . . . . . . . 34.9 tp10 -62.96 -46.7 86.48 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.185 -0.461 . . . . 74.52 110.863 -179.895 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 58' ' ' ARG . . . . . 0.406 ' CZ ' ' HB3' ' B' ' 58' ' ' ARG . 0.0 OUTLIER -82.64 -12.7 57.46 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.227 -0.442 . . . . 74.12 110.879 -179.934 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' B' B ' 59' ' ' LEU . . . . . . . . . . . . . 29.4 tp -121.3 -77.17 0.58 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.205 -0.452 . . . . 74.21 110.918 -179.977 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 60' ' ' LYS . . . . . 0.477 ' N ' ' O ' ' B' ' 56' ' ' GLU . 2.6 mtpp 70.35 -174.5 0.18 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.129 -0.487 . . . . 73.14 110.922 179.873 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' B' B ' 61' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER 66.28 22.6 10.88 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.226 -0.443 . . . . 71.42 110.896 179.851 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' B' B ' 62' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER . . . . . 0 C--N 1.329 -0.324 0 CA-C-N 116.212 -0.449 . . . . 70.33 110.871 179.954 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.232 0.133 0 CA-C-O 120.879 0.371 . . . . 71.25 110.861 . . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 33.9 tptt -73.03 -74.58 0.17 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.252 -0.431 . . . . 75.51 110.849 179.978 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -179.33 -37.76 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.235 -0.439 . . . . 75.03 110.913 179.955 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 4.3 mm? -116.89 -26.98 6.72 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.224 -0.443 . . . . 74.41 110.902 179.933 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 2.1 mtt85 -72.05 -45.46 60.69 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.205 -0.452 . . . . 73.21 110.908 179.951 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 2.4 tt0 -53.81 -28.23 34.01 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.17 -0.468 . . . . 74.31 110.926 -179.99 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 15.9 mm-40 -54.96 -29.93 57.86 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.16 -0.473 . . . . 73.35 110.903 -179.941 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -74.15 -26.98 60.62 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.168 -0.469 . . . . 74.21 111.093 179.896 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -64.13 -40.86 97.08 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.213 -0.449 . . . . 71.2 111.093 179.946 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -65.77 -35.13 79.85 Favored 'General case' 0 C--N 1.33 -0.283 0 CA-C-N 116.188 -0.46 . . . . 70.43 110.904 -179.973 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 51.1 mt -51.89 -44.06 63.59 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.221 -0.445 . . . . 65.24 110.942 179.881 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 22.4 m-85 -74.09 -23.51 59.34 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.121 -0.49 . . . . 74.43 110.811 -179.984 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -59.03 -37.38 76.82 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.195 -0.457 . . . . 74.41 110.913 -179.952 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 7.4 mt-10 -75.02 -34.97 61.97 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.151 -0.477 . . . . 75.43 110.823 -179.895 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 15' ' ' TRP . . . . . . . . . . . . . 11.4 m0 -55.76 -47.67 76.61 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 116.178 -0.465 . . . . 72.35 110.932 -179.902 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 12.4 tttm -76.62 -25.93 54.38 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.226 -0.443 . . . . 72.13 110.917 179.871 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -67.9 -59.14 3.51 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.237 -0.438 . . . . 73.24 110.889 179.864 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 19.1 mt -55.18 -32.68 62.37 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.229 -0.442 . . . . 74.34 110.888 179.876 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -63.38 -24.82 68.01 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.216 -0.447 . . . . 72.35 111.108 179.81 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 1.3 mt-10 -73.08 -49.54 27.93 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.274 -0.421 . . . . 75.11 110.879 -179.907 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 2.1 mm-40 -74.26 -48.47 28.47 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.131 -0.486 . . . . 71.32 110.928 -179.929 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -57.78 -22.42 47.06 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.111 -0.495 . . . . 73.2 111.074 179.947 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -75.95 -54.86 6.23 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.197 -0.456 . . . . 74.41 111.079 179.961 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -65.87 -30.44 71.05 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.251 -0.431 . . . . 70.21 110.919 179.961 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 5.8 mt -77.82 -41.67 36.31 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.223 -0.444 . . . . 73.21 110.845 179.976 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 5.4 mt -50.38 -50.33 51.86 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 116.215 -0.448 . . . . 73.12 110.963 179.876 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 1.7 mt-10 -90.78 12.29 19.72 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.13 -0.486 . . . . 74.43 110.914 179.859 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . -59.71 -14.25 28.5 Favored Glycine 0 N--CA 1.451 -0.351 0 C-N-CA 120.816 -0.707 . . . . 60.45 112.499 -179.985 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . 135.36 45.25 0.1 OUTLIER Glycine 0 N--CA 1.452 -0.283 0 C-N-CA 120.709 -0.757 . . . . 70.4 112.518 -179.88 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . -111.85 -44.98 0.85 Allowed Glycine 0 N--CA 1.451 -0.306 0 C-N-CA 120.72 -0.752 . . . . 62.1 112.432 -179.883 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . -175.88 130.98 1.8 Allowed Glycine 0 N--CA 1.452 -0.275 0 C-N-CA 120.779 -0.724 . . . . 44.44 112.51 -179.899 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . -137.9 111.29 0.81 Allowed Glycine 0 N--CA 1.451 -0.33 0 C-N-CA 120.773 -0.727 . . . . 72.24 112.492 -179.942 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -111.39 -45.18 0.87 Allowed Glycine 0 N--CA 1.451 -0.306 0 C-N-CA 120.753 -0.737 . . . . 64.42 112.472 -179.918 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . -152.26 156.29 26.61 Favored Glycine 0 N--CA 1.452 -0.263 0 C-N-CA 120.655 -0.783 . . . . 71.03 112.468 -179.884 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . -69.05 -47.05 56.44 Favored Glycine 0 N--CA 1.451 -0.336 0 C-N-CA 120.73 -0.748 . . . . 73.3 112.452 -179.843 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 13.9 tt0 -60.84 -37.05 80.73 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 120.886 0.374 . . . . 74.32 110.849 -179.89 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 46.5 tp -52.66 -56.74 13.32 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.232 -0.44 . . . . 73.52 110.967 -179.972 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 38' ' ' MET . . . . . . . . . . . . . 0.9 OUTLIER -67.37 -26.89 66.69 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.177 -0.465 . . . . 74.44 110.88 179.82 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 22.3 tttt -54.03 -29.65 44.52 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.206 -0.452 . . . . 73.33 110.853 179.968 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 22.3 mt -61.94 -29.47 70.25 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.265 -0.425 . . . . 73.44 110.877 179.96 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 41' ' ' CYS . . . . . . . . . . . . . 23.0 m -71.88 -49.2 40.03 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.199 -0.455 . . . . 64.55 110.834 179.981 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 2.1 mt-10 -65.8 -25.98 67.48 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.168 -0.469 . . . . 74.12 110.876 -179.822 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 2.9 mm-40 -54.99 -28.1 49.3 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.197 -0.456 . . . . 75.5 110.907 -179.923 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -51.94 -43.34 63.43 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.098 -0.501 . . . . 74.43 111.08 179.894 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -75.09 -23.67 58.01 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.236 -0.438 . . . . 44.31 111.093 179.929 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -69.06 -46.82 66.87 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 116.291 -0.413 . . . . 75.42 110.925 179.9 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 3.6 mptp? -66.88 -56.9 8.26 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.208 -0.451 . . . . 75.52 110.927 179.886 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -54.45 -27.25 36.06 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.247 -0.433 . . . . 73.32 111.035 179.832 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 4.1 tm-20 -70.28 -44.39 68.48 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.228 -0.442 . . . . 73.35 110.874 -179.888 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -54.19 -51.03 65.65 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.144 -0.48 . . . . 75.45 110.93 -179.935 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 3.4 pp -73.0 -30.91 64.15 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.1 -0.5 . . . . 63.44 110.912 -179.963 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 52' ' ' PHE . . . . . . . . . . . . . 61.2 t80 -60.49 -24.03 64.97 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.215 -0.448 . . . . 71.32 110.893 179.92 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -70.33 -56.67 6.15 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.121 -0.49 . . . . 75.45 110.955 179.948 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 54' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -72.46 -25.51 61.47 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.138 -0.483 . . . . 64.24 110.889 179.905 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -56.09 -25.0 43.65 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.211 -0.449 . . . . 73.35 111.1 179.841 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 7.2 mt-10 -77.0 -26.23 53.61 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.215 -0.448 . . . . 70.33 110.904 -179.96 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -61.46 -49.31 77.3 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.132 -0.485 . . . . 71.41 110.882 -179.867 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -78.04 -21.76 50.21 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.201 -0.454 . . . . 75.03 110.881 -179.966 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 59' ' ' LEU . . . . . . . . . . . . . 6.5 mp -85.13 -77.5 0.28 Allowed 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.213 -0.449 . . . . 73.22 110.974 179.96 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -100.98 -175.66 2.94 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.238 -0.437 . . . . 74.31 110.964 179.749 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 8.6 mtpt -114.76 87.14 2.58 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.259 -0.428 . . . . 74.13 110.878 179.925 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 11.5 mt . . . . . 0 C--N 1.329 -0.302 0 CA-C-N 116.211 -0.449 . . . . 75.42 110.967 179.907 . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' B' B ' 1' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.232 0.152 0 CA-C-O 120.858 0.361 . . . . 74.35 110.929 . . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 2' ' ' LYS . . . . . . . . . . . . . 33.9 tptt -72.94 -74.56 0.17 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.241 -0.436 . . . . 74.34 110.822 -179.939 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 3' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -179.38 -37.69 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.203 -0.453 . . . . 74.23 110.887 179.891 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 4' ' ' LEU . . . . . . . . . . . . . 4.3 mm? -116.94 -26.93 6.72 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.248 -0.433 . . . . 73.5 110.901 179.939 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 5' ' ' ARG . . . . . . . . . . . . . 2.1 mtt85 -72.06 -45.51 60.48 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.216 -0.447 . . . . 74.5 110.875 179.942 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 6' ' ' GLU . . . . . . . . . . . . . 2.5 tt0 -53.79 -28.27 34.02 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.209 -0.45 . . . . 64.33 110.836 -179.893 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 7' ' ' GLU . . . . . . . . . . . . . 16.0 mm-40 -54.94 -29.98 57.72 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.211 -0.45 . . . . 72.32 110.906 -179.897 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 8' ' ' ALA . . . . . . . . . . . . . . . -74.08 -27.02 60.7 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.105 -0.498 . . . . 62.53 111.124 179.878 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 9' ' ' ALA . . . . . . . . . . . . . . . -64.18 -40.85 96.97 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.237 -0.438 . . . . 73.12 111.07 179.933 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 10' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -65.67 -35.29 80.35 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.278 -0.419 . . . . 70.13 110.94 179.957 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 11' ' ' LEU . . . . . . . . . . . . . 50.7 mt -51.94 -44.03 63.74 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.196 -0.456 . . . . 74.23 110.895 179.92 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 12' ' ' PHE . . . . . . . . . . . . . 22.3 m-85 -73.99 -23.53 59.46 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.227 -0.442 . . . . 74.22 110.903 179.933 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 13' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -58.62 -37.36 75.71 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.094 -0.503 . . . . 74.42 110.914 -179.937 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 14' ' ' GLU . . . . . . . . . . . . . 7.4 mt-10 -75.02 -34.89 61.97 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.123 -0.49 . . . . 61.01 110.898 -179.943 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 15' ' ' TRP . . . . . . . . . . . . . 11.3 m0 -55.36 -47.9 75.08 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.181 -0.463 . . . . 70.21 110.924 -179.997 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 16' ' ' LYS . . . . . . . . . . . . . 12.4 tttm -76.56 -26.11 54.76 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.224 -0.444 . . . . 74.54 110.865 179.996 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 17' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -68.12 -58.99 3.58 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.217 -0.447 . . . . 65.33 110.827 179.925 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 18' ' ' LEU . . . . . . . . . . . . . 19.0 mt -55.26 -32.43 62.34 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.239 -0.437 . . . . 73.14 110.956 179.912 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 19' ' ' ALA . . . . . . . . . . . . . . . -63.74 -24.74 67.89 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.113 -0.494 . . . . 73.21 111.096 179.837 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 20' ' ' GLU . . . . . . . . . . . . . 1.3 mt-10 -73.24 -49.54 27.28 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.212 -0.449 . . . . 64.31 110.871 -179.923 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 21' ' ' GLU . . . . . . . . . . . . . 2.1 mm-40 -74.23 -48.44 28.8 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.151 -0.477 . . . . 74.54 110.895 -179.929 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 22' ' ' ALA . . . . . . . . . . . . . . . -57.86 -22.2 46.77 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.177 -0.465 . . . . 42.14 111.135 179.953 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 23' ' ' ALA . . . . . . . . . . . . . . . -76.01 -54.82 6.29 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.198 -0.456 . . . . 74.44 111.097 179.897 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 24' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -65.93 -30.41 70.99 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.234 -0.439 . . . . 74.44 110.932 179.936 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 25' ' ' LEU . . . . . . . . . . . . . 5.8 mt -77.79 -41.64 36.63 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.211 -0.449 . . . . 72.13 110.923 179.895 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 26' ' ' LEU . . . . . . . . . . . . . 5.4 mt -50.46 -50.32 52.71 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.16 -0.473 . . . . 72.22 110.88 179.919 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 27' ' ' GLU . . . . . . . . . . . . . 1.7 mt-10 -90.8 12.19 20.09 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.194 -0.457 . . . . 70.12 110.883 179.962 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 28' ' ' GLY . . . . . . . . . . . . . . . -59.69 -14.24 28.28 Favored Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.742 -0.742 . . . . 74.24 112.506 -179.975 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 29' ' ' GLY . . . . . . . . . . . . . . . 135.43 45.21 0.1 OUTLIER Glycine 0 N--CA 1.452 -0.266 0 C-N-CA 120.673 -0.775 . . . . 75.02 112.46 -179.929 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 30' ' ' GLY . . . . . . . . . . . . . . . -111.81 -44.82 0.86 Allowed Glycine 0 N--CA 1.45 -0.4 0 C-N-CA 120.732 -0.746 . . . . 75.31 112.537 -179.918 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 31' ' ' GLY . . . . . . . . . . . . . . . -176.01 131.13 1.82 Allowed Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.738 -0.744 . . . . 73.54 112.45 -179.993 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 32' ' ' GLY . . . . . . . . . . . . . . . -137.95 111.17 0.8 Allowed Glycine 0 N--CA 1.452 -0.248 0 C-N-CA 120.75 -0.738 . . . . 71.44 112.512 -179.929 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 33' ' ' GLY . . . . . . . . . . . . . . . -111.42 -45.1 0.87 Allowed Glycine 0 N--CA 1.452 -0.292 0 C-N-CA 120.655 -0.783 . . . . 73.42 112.507 -179.921 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 34' ' ' GLY . . . . . . . . . . . . . . . -152.24 156.24 26.59 Favored Glycine 0 N--CA 1.452 -0.296 0 C-N-CA 120.727 -0.749 . . . . 62.54 112.493 -179.868 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 35' ' ' GLY . . . . . . . . . . . . . . . -68.86 -47.13 57.13 Favored Glycine 0 N--CA 1.45 -0.387 0 C-N-CA 120.724 -0.751 . . . . 52.03 112.506 -179.902 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 36' ' ' GLU . . . . . . . . . . . . . 14.0 tt0 -60.81 -37.13 80.91 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 120.925 0.393 . . . . 74.52 110.848 -179.866 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 37' ' ' LEU . . . . . . . . . . . . . 46.7 tp -52.63 -56.75 13.23 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.18 -0.464 . . . . 73.13 110.991 179.996 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 38' ' ' MET . . . . . . . . . . . . . 0.9 OUTLIER -67.2 -26.96 66.88 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.226 -0.443 . . . . 71.21 110.884 179.769 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 39' ' ' LYS . . . . . . . . . . . . . 22.2 tttt -54.06 -29.56 44.64 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.253 -0.431 . . . . 74.21 110.914 179.952 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 40' ' ' LEU . . . . . . . . . . . . . 22.6 mt -61.84 -29.36 70.12 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.219 -0.446 . . . . 70.44 110.959 179.872 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 41' ' ' CYS . . . . . . . . . . . . . 23.5 m -71.77 -49.32 39.95 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.176 -0.466 . . . . 73.11 110.897 179.906 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 42' ' ' GLU . . . . . . . . . . . . . 2.1 mt-10 -65.83 -25.87 67.41 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.179 -0.464 . . . . 74.14 110.878 -179.843 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 43' ' ' GLU . . . . . . . . . . . . . 2.9 mm-40 -55.0 -28.3 50.92 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 116.18 -0.463 . . . . 75.34 110.876 -179.966 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 44' ' ' ALA . . . . . . . . . . . . . . . -51.92 -43.25 63.33 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.169 -0.469 . . . . 71.43 111.127 179.954 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 45' ' ' ALA . . . . . . . . . . . . . . . -75.08 -23.74 58.06 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.193 -0.458 . . . . 64.02 111.064 179.933 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 46' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -69.18 -46.8 66.6 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.21 -0.45 . . . . 74.35 110.873 179.984 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 47' ' ' LYS . . . . . . . . . . . . . 3.6 mptp? -66.99 -56.87 8.27 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.252 -0.431 . . . . 75.51 110.928 179.881 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 48' ' ' ALA . . . . . . . . . . . . . . . -54.39 -27.07 34.08 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.261 -0.427 . . . . 54.31 111.114 179.799 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 49' ' ' GLU . . . . . . . . . . . . . 4.1 tm-20 -70.43 -44.33 68.11 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.2 -0.455 . . . . 65.55 110.932 -179.945 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 50' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -54.03 -51.05 65.23 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.13 -0.486 . . . . 71.44 110.96 179.979 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 51' ' ' LEU . . . . . . . . . . . . . 3.5 pp -73.05 -31.01 64.14 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.119 -0.491 . . . . 73.25 110.931 -179.991 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 52' ' ' PHE . . . . . . . . . . . . . 60.8 t80 -60.58 -24.02 65.11 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.192 -0.458 . . . . 73.41 110.89 179.94 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 53' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -70.34 -56.75 5.93 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.104 -0.498 . . . . 74.24 110.894 179.96 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 54' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -72.4 -25.51 61.52 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.217 -0.447 . . . . 74.22 110.912 179.883 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 55' ' ' ALA . . . . . . . . . . . . . . . -56.08 -24.96 43.34 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.27 -0.423 . . . . 73.02 111.118 179.855 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 56' ' ' GLU . . . . . . . . . . . . . 7.2 mt-10 -77.11 -26.18 53.02 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.166 -0.47 . . . . 71.45 110.864 -179.937 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 57' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -61.49 -49.28 77.38 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.15 -0.477 . . . . 63.14 110.83 -179.88 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 58' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -78.06 -21.83 50.01 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.241 -0.436 . . . . 73.05 110.816 -179.884 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 59' ' ' LEU . . . . . . . . . . . . . 6.5 mp -85.1 -77.55 0.28 Allowed 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.202 -0.454 . . . . 73.11 110.874 -179.952 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 60' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -100.99 -175.56 2.91 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.195 -0.457 . . . . 75.12 110.912 179.849 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 61' ' ' LYS . . . . . . . . . . . . . 8.7 mtpt -114.72 86.98 2.54 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.271 -0.422 . . . . 73.24 110.978 179.822 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 62' ' ' LEU . . . . . . . . . . . . . 11.5 mt . . . . . 0 C--N 1.329 -0.32 0 CA-C-N 116.239 -0.437 . . . . 60.11 110.884 179.948 . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' A' A ' 101' ' ' HLT . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 1.9 mtt . . . . . 0 C--O 1.232 0.173 0 CA-C-O 120.819 0.342 . . . . 71.21 110.875 . . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -114.06 177.92 4.47 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.274 -0.421 . . . . 75.04 110.956 179.911 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 15.9 mttm -153.04 -64.2 0.15 Allowed 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.285 -0.416 . . . . 75.51 110.877 179.85 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 2.3 mm? -116.45 -21.16 9.36 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.224 -0.444 . . . . 74.32 110.977 179.895 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 7.7 mmt180 -69.63 -43.81 71.89 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.202 -0.454 . . . . 71.41 110.883 179.941 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -53.44 -28.59 30.95 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.255 -0.429 . . . . 75.12 110.887 -179.943 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 4.6 mt-10 -57.6 -28.65 63.83 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.128 -0.487 . . . . 74.2 110.901 -179.975 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -76.03 -28.26 57.65 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.148 -0.478 . . . . 73.13 111.087 179.956 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -61.94 -43.23 99.28 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.272 -0.422 . . . . 64.32 111.078 179.962 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 4.6 mttm -56.12 -31.29 63.18 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.255 -0.429 . . . . 73.2 110.922 179.927 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 51.8 mt -51.8 -46.25 64.17 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.272 -0.422 . . . . 75.34 110.972 179.865 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 21.4 m-85 -74.06 -25.16 59.69 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.202 -0.454 . . . . 74.34 110.869 179.979 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 25.4 tt0 -54.15 -32.88 56.56 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-N 116.101 -0.5 . . . . 71.14 110.907 -179.949 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 9.2 mt-10 -66.4 -32.56 74.02 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.216 -0.447 . . . . 63.34 110.898 -179.906 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 15' ' ' TRP . . . . . . . . . . . . . 3.5 t90 -67.97 -44.45 76.67 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.105 -0.498 . . . . 72.2 110.926 -179.967 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 9.9 ttpt -77.14 -32.12 56.11 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.204 -0.453 . . . . 71.42 110.992 179.84 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -73.79 -52.36 13.39 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.175 -0.466 . . . . 74.34 110.95 179.8 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 61.3 mt -55.93 -28.18 55.71 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.163 -0.471 . . . . 75.21 110.892 179.936 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -72.24 -24.13 61.33 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.204 -0.453 . . . . 63.24 111.13 179.781 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 10.1 mt-10 -73.43 -49.51 26.61 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.208 -0.451 . . . . 65.23 110.893 -179.967 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 1.9 mm-40 -74.14 -51.53 15.3 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.199 -0.455 . . . . 74.0 110.92 -179.96 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -53.04 -29.83 32.17 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.187 -0.46 . . . . 70.31 111.092 179.912 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -71.67 -54.0 11.76 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.262 -0.426 . . . . 70.25 111.078 179.932 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 14.0 ptmt -64.86 -33.07 75.14 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 116.329 -0.396 . . . . 73.44 110.917 179.961 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 4.2 mt -76.27 -41.81 47.68 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.198 -0.455 . . . . 73.11 110.903 179.885 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 4.0 mt -50.81 -48.16 59.8 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.243 -0.435 . . . . 70.01 110.951 179.888 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 37.2 mm-40 -95.35 12.49 28.99 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.159 -0.473 . . . . 75.23 110.821 179.956 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . -59.49 -14.4 27.62 Favored Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.748 -0.739 . . . . 62.04 112.558 179.99 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . 135.38 45.63 0.1 OUTLIER Glycine 0 N--CA 1.452 -0.276 0 C-N-CA 120.676 -0.773 . . . . 73.43 112.467 -179.876 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . -137.41 43.74 1.19 Allowed Glycine 0 N--CA 1.452 -0.298 0 C-N-CA 120.743 -0.741 . . . . 63.1 112.453 -179.869 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . 150.24 60.81 0.01 OUTLIER Glycine 0 N--CA 1.45 -0.371 0 C-N-CA 120.787 -0.72 . . . . 65.31 112.531 -179.94 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . 54.05 -101.79 0.1 Allowed Glycine 0 N--CA 1.453 -0.219 0 C-N-CA 120.675 -0.774 . . . . 73.22 112.494 -179.847 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . 179.11 -128.37 1.24 Allowed Glycine 0 N--CA 1.45 -0.367 0 C-N-CA 120.769 -0.729 . . . . 61.54 112.488 -179.855 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 86.98 123.44 1.66 Allowed Glycine 0 N--CA 1.452 -0.267 0 C-N-CA 120.72 -0.752 . . . . 65.2 112.507 -179.891 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . -70.99 -43.04 58.45 Favored Glycine 0 N--CA 1.452 -0.266 0 C-N-CA 120.697 -0.764 . . . . 71.15 112.443 -179.857 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 29.7 tt0 -52.09 -36.31 50.49 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 120.929 0.395 . . . . 74.32 110.924 -179.924 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 23.3 tp -62.85 -39.34 94.07 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.134 -0.485 . . . . 73.11 110.958 179.998 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 38' ' ' MET . . . . . . . . . . . . . 3.5 ttp -72.62 -25.29 61.25 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.139 -0.482 . . . . 74.23 110.931 179.806 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 7.2 ttmm -54.06 -29.21 43.31 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.161 -0.472 . . . . 72.34 110.872 180.0 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 2.7 mt -61.64 -59.05 5.78 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.239 -0.437 . . . . 74.02 110.912 179.958 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 41' ' ' CYS . . . . . . . . . . . . . 18.2 p -69.08 -24.37 64.13 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.194 -0.457 . . . . 73.13 110.918 179.966 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 32.7 tt0 -55.75 -25.43 40.62 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 116.141 -0.481 . . . . 71.02 110.847 -179.833 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 2.7 mm-40 -54.64 -37.86 66.17 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.177 -0.465 . . . . 75.54 110.857 -179.907 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -51.75 -41.92 61.95 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.206 -0.452 . . . . 55.21 111.079 179.958 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -75.26 -22.93 57.46 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.237 -0.438 . . . . 75.14 111.088 179.912 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -75.73 -48.92 19.88 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.233 -0.44 . . . . 71.52 110.934 179.955 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -54.95 -55.28 32.43 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.25 -0.432 . . . . 74.42 110.832 179.879 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -51.94 -36.96 51.07 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.197 -0.456 . . . . 64.53 111.142 179.866 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 1.4 tt0 -63.79 -45.14 91.07 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.114 -0.494 . . . . 64.14 110.845 -179.875 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 6.2 mm-40 -74.03 -27.53 60.98 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.145 -0.48 . . . . 73.13 110.962 -179.968 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 11.9 mt -73.1 -53.38 11.18 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.126 -0.488 . . . . 74.03 110.902 -179.967 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 52' ' ' PHE . . . . . . . . . . . . . 70.2 t80 -55.92 -32.45 63.79 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.223 -0.444 . . . . 75.45 110.848 179.957 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 1.9 mmmm -51.97 -59.36 4.43 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.134 -0.484 . . . . 62.22 110.914 -179.988 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 54' ' ' LEU . . . . . . . . . . . . . 4.5 mm? -75.67 -24.13 56.3 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.225 -0.443 . . . . 72.43 110.957 179.899 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -55.21 -37.67 67.43 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.104 -0.498 . . . . 64.33 111.071 179.796 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 16.2 mt-10 -52.42 -29.42 24.27 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.219 -0.446 . . . . 54.34 110.863 -179.872 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 3.1 tm-20 -70.1 -47.83 60.18 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.146 -0.479 . . . . 75.33 110.974 -179.982 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -77.95 -13.61 59.82 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.168 -0.469 . . . . 74.13 110.858 -179.952 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 59' ' ' LEU . . . . . . . . . . . . . 10.7 mt -94.86 -61.46 1.49 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.203 -0.453 . . . . 72.02 110.902 -179.961 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -119.88 -175.94 3.08 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.176 -0.465 . . . . 75.24 110.886 179.806 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -109.81 89.76 3.11 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.187 -0.46 . . . . 75.55 110.9 179.893 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER . . . . . 0 C--N 1.328 -0.353 0 CA-C-N 116.233 -0.44 . . . . 70.33 110.913 179.93 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 1' ' ' MET . . . . . . . . . . . . . 1.9 mtt . . . . . 0 C--O 1.232 0.182 0 CA-C-O 120.759 0.314 . . . . 72.02 110.834 . . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' B' B ' 2' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -114.06 177.92 4.46 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 116.27 -0.423 . . . . 63.23 110.913 179.964 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 3' ' ' LYS . . . . . . . . . . . . . 15.9 mttm -152.97 -64.53 0.16 Allowed 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.229 -0.441 . . . . 75.01 110.939 179.932 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 4' ' ' LEU . . . . . . . . . . . . . 2.3 mm? -116.49 -21.31 9.26 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.199 -0.455 . . . . 74.25 110.967 179.891 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 5' ' ' ARG . . . . . . . . . . . . . 7.7 mmt180 -69.36 -43.64 73.17 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.151 -0.477 . . . . 65.23 110.904 179.959 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 6' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -53.62 -29.04 36.08 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.205 -0.452 . . . . 74.43 110.882 -179.941 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 7' ' ' GLU . . . . . . . . . . . . . 4.6 mt-10 -57.12 -28.65 62.89 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.156 -0.475 . . . . 74.41 110.878 -179.979 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 8' ' ' ALA . . . . . . . . . . . . . . . -75.98 -27.78 57.59 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.232 -0.44 . . . . 63.34 111.129 179.927 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 9' ' ' ALA . . . . . . . . . . . . . . . -63.06 -41.12 99.39 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.231 -0.441 . . . . 73.52 111.048 179.951 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 10' ' ' LYS . . . . . . . . . . . . . 4.6 mttm -56.3 -32.66 64.8 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.232 -0.44 . . . . 61.22 110.933 179.969 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 11' ' ' LEU . . . . . . . . . . . . . 48.0 mt -51.82 -45.39 63.92 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.206 -0.452 . . . . 75.24 110.974 179.907 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 12' ' ' PHE . . . . . . . . . . . . . 22.2 m-85 -74.09 -25.96 60.1 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.137 -0.483 . . . . 74.34 110.883 179.903 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 13' ' ' GLU . . . . . . . . . . . . . 25.3 tt0 -58.16 -42.77 86.71 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.138 -0.483 . . . . 74.53 110.932 -179.9 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 14' ' ' GLU . . . . . . . . . . . . . 6.9 mt-10 -75.01 -28.06 60.35 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.129 -0.487 . . . . 62.1 110.893 -179.974 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 15' ' ' TRP . . . . . . . . . . . . . 2.6 m0 -59.7 -47.52 85.32 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.17 -0.468 . . . . 74.2 110.971 -179.935 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 16' ' ' LYS . . . . . . . . . . . . . 9.7 ttpt -77.31 -27.04 52.76 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.261 -0.427 . . . . 75.25 110.865 179.884 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 17' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -67.02 -51.79 50.53 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.302 -0.408 . . . . 72.54 110.877 179.855 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 18' ' ' LEU . . . . . . . . . . . . . 50.2 mt -56.53 -26.42 54.7 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.215 -0.448 . . . . 72.25 110.921 179.898 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 19' ' ' ALA . . . . . . . . . . . . . . . -72.72 -21.7 61.0 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.149 -0.478 . . . . 74.23 111.111 179.8 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 20' ' ' GLU . . . . . . . . . . . . . 11.7 mt-10 -73.14 -49.38 28.63 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.245 -0.434 . . . . 74.5 110.912 -179.913 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 21' ' ' GLU . . . . . . . . . . . . . 1.9 mm-40 -73.96 -51.46 15.94 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.106 -0.497 . . . . 71.24 110.851 -179.951 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 22' ' ' ALA . . . . . . . . . . . . . . . -53.27 -30.19 37.19 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.177 -0.465 . . . . 72.13 111.08 179.99 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 23' ' ' ALA . . . . . . . . . . . . . . . -71.32 -54.04 12.17 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.207 -0.452 . . . . 73.4 111.079 179.942 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 24' ' ' LYS . . . . . . . . . . . . . 14.0 ptmt -64.75 -33.19 75.39 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.234 -0.439 . . . . 72.22 110.842 179.998 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 25' ' ' LEU . . . . . . . . . . . . . 4.4 mt -76.39 -41.21 48.63 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.285 -0.416 . . . . 73.41 110.914 179.933 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 26' ' ' LEU . . . . . . . . . . . . . 3.8 mt -50.88 -48.63 60.31 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.214 -0.448 . . . . 72.25 110.899 179.915 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 27' ' ' GLU . . . . . . . . . . . . . 37.0 mm-40 -95.1 12.61 28.03 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.22 -0.446 . . . . 75.51 110.912 179.985 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 28' ' ' GLY . . . . . . . . . . . . . . . -59.65 -14.51 29.27 Favored Glycine 0 N--CA 1.451 -0.36 0 C-N-CA 120.734 -0.746 . . . . 71.24 112.525 -179.988 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 29' ' ' GLY . . . . . . . . . . . . . . . 136.48 46.33 0.08 OUTLIER Glycine 0 N--CA 1.451 -0.349 0 C-N-CA 120.803 -0.713 . . . . 44.11 112.515 -179.921 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 30' ' ' GLY . . . . . . . . . . . . . . . -136.51 44.3 1.16 Allowed Glycine 0 N--CA 1.451 -0.346 0 C-N-CA 120.728 -0.749 . . . . 74.31 112.531 -179.936 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 31' ' ' GLY . . . . . . . . . . . . . . . 151.57 63.16 0.01 OUTLIER Glycine 0 N--CA 1.452 -0.283 0 C-N-CA 120.732 -0.746 . . . . 72.45 112.487 -179.895 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 32' ' ' GLY . . . . . . . . . . . . . . . 57.1 -102.5 0.21 Allowed Glycine 0 N--CA 1.452 -0.283 0 C-N-CA 120.695 -0.764 . . . . 74.32 112.513 -179.905 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 33' ' ' GLY . . . . . . . . . . . . . . . 178.69 -128.96 1.32 Allowed Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.791 -0.719 . . . . 50.3 112.475 -179.924 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 34' ' ' GLY . . . . . . . . . . . . . . . 86.61 123.2 1.54 Allowed Glycine 0 N--CA 1.451 -0.346 0 C-N-CA 120.744 -0.741 . . . . 74.12 112.497 -179.866 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 35' ' ' GLY . . . . . . . . . . . . . . . -70.75 -43.1 60.34 Favored Glycine 0 N--CA 1.452 -0.276 0 C-N-CA 120.696 -0.764 . . . . 65.41 112.46 -179.899 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 36' ' ' GLU . . . . . . . . . . . . . 29.7 tt0 -52.25 -34.53 46.54 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.909 0.385 . . . . 64.23 110.904 -179.882 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 37' ' ' LEU . . . . . . . . . . . . . 23.0 tp -61.39 -39.3 90.18 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.109 -0.496 . . . . 75.21 110.925 -179.967 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 38' ' ' MET . . . . . . . . . . . . . 3.6 ttp -72.63 -26.92 61.85 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.182 -0.463 . . . . 75.23 110.832 179.861 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 39' ' ' LYS . . . . . . . . . . . . . 7.2 ttmm -56.17 -27.97 56.37 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.246 -0.433 . . . . 73.51 110.889 179.949 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 40' ' ' LEU . . . . . . . . . . . . . 2.2 mt -59.87 -58.88 6.67 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.275 -0.42 . . . . 72.31 110.915 179.937 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 41' ' ' CYS . . . . . . . . . . . . . 18.5 p -69.38 -23.74 63.78 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.216 -0.447 . . . . 72.03 110.892 179.947 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 42' ' ' GLU . . . . . . . . . . . . . 32.8 tt0 -54.96 -25.35 29.04 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.143 -0.48 . . . . 74.21 110.863 -179.863 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 43' ' ' GLU . . . . . . . . . . . . . 2.8 mm-40 -54.12 -34.78 61.17 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.142 -0.481 . . . . 72.13 110.922 -179.922 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 44' ' ' ALA . . . . . . . . . . . . . . . -51.66 -41.76 61.6 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.176 -0.466 . . . . 74.21 111.068 179.938 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 45' ' ' ALA . . . . . . . . . . . . . . . -75.23 -23.45 57.55 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.173 -0.467 . . . . 74.41 111.082 179.963 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 46' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -78.07 -50.14 12.62 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.316 -0.402 . . . . 75.51 110.847 179.946 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 47' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -55.55 -55.09 35.98 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.203 -0.453 . . . . 62.12 110.859 179.961 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 48' ' ' ALA . . . . . . . . . . . . . . . -51.9 -36.83 50.13 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.322 -0.399 . . . . 71.21 111.085 179.822 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 49' ' ' GLU . . . . . . . . . . . . . 1.4 tt0 -64.0 -45.02 90.84 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.232 -0.44 . . . . 73.41 110.85 -179.893 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 50' ' ' GLU . . . . . . . . . . . . . 6.2 mm-40 -74.13 -27.17 60.73 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.182 -0.463 . . . . 72.24 110.846 -179.934 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 51' ' ' LEU . . . . . . . . . . . . . 12.0 mt -72.68 -52.08 16.74 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.191 -0.459 . . . . 74.4 110.886 -179.936 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 52' ' ' PHE . . . . . . . . . . . . . 71.5 t80 -54.61 -33.7 60.87 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.157 -0.474 . . . . 73.32 110.88 179.959 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 53' ' ' LYS . . . . . . . . . . . . . 1.9 mmmm -52.52 -59.27 4.65 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.15 -0.477 . . . . 72.32 110.859 179.959 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 54' ' ' LEU . . . . . . . . . . . . . 4.5 mm? -75.29 -25.0 57.57 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.288 -0.415 . . . . 73.13 110.902 179.956 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 55' ' ' ALA . . . . . . . . . . . . . . . -53.95 -38.0 64.49 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.218 -0.446 . . . . 74.23 111.158 179.769 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 56' ' ' GLU . . . . . . . . . . . . . 15.9 mt-10 -52.99 -29.51 29.62 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.175 -0.466 . . . . 74.22 110.908 -179.934 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 57' ' ' GLU . . . . . . . . . . . . . 3.1 tm-20 -70.37 -47.7 59.74 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.138 -0.483 . . . . 73.11 110.888 -179.909 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 58' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -77.88 -13.4 59.9 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.163 -0.471 . . . . 74.34 110.912 -179.965 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 59' ' ' LEU . . . . . . . . . . . . . 11.5 mt -95.11 -60.93 1.57 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.152 -0.476 . . . . 74.12 110.942 179.962 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 60' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -119.8 -175.64 3.01 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.155 -0.475 . . . . 75.22 110.889 179.823 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 61' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -109.52 89.66 3.07 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.243 -0.435 . . . . 64.42 110.908 179.869 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 62' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER . . . . . 0 C--N 1.328 -0.327 0 CA-C-N 116.185 -0.461 . . . . 73.31 110.919 179.968 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 101' ' ' HLT . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 C--O 1.231 0.112 0 CA-C-O 120.847 0.356 . . . . 74.11 110.861 . . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -155.07 -179.84 8.45 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.269 -0.423 . . . . 73.41 110.863 179.937 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -127.6 -48.62 1.4 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.188 -0.46 . . . . 74.25 110.921 179.813 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 4.4 mm? -52.27 -67.23 0.27 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.243 -0.435 . . . . 74.22 110.852 179.949 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 8.5 ptp180 -67.33 -36.43 81.43 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.184 -0.462 . . . . 73.13 110.908 -180.0 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 6' ' ' GLU . . . . . 0.707 ' HE2' ' HD2' ' A' ' 10' ' ' LYS . 1.2 tm-20 -54.28 -27.6 36.35 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.178 -0.465 . . . . 74.13 110.859 -179.941 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 2.1 mt-10 -56.49 -55.01 39.13 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.193 -0.458 . . . . 71.3 110.872 -179.942 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -52.96 -28.58 24.36 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.126 -0.488 . . . . 75.22 111.116 179.947 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -73.94 -41.58 61.84 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.219 -0.446 . . . . 65.55 111.175 179.907 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 10' ' ' LYS . . . . . 0.707 ' HD2' ' HE2' ' A' ' 6' ' ' GLU . 0.1 OUTLIER -63.17 -34.18 77.08 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.197 -0.456 . . . . 64.55 110.864 179.982 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 63.4 mt -51.75 -43.97 63.13 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.228 -0.442 . . . . 75.23 110.973 179.884 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 22.9 m-85 -74.16 -24.83 59.45 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.162 -0.472 . . . . 75.24 110.901 179.938 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 13' ' ' GLU . . . . . 0.417 ' HE2' ' NZ ' ' A' ' 10' ' ' LYS . 3.8 tt0 -56.37 -41.04 75.55 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.159 -0.473 . . . . 72.52 110.869 -179.934 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 8.5 mt-10 -65.04 -34.81 79.31 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.175 -0.466 . . . . 72.32 110.837 -179.955 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 15' ' ' TRP . . . . . . . . . . . . . 6.4 t90 -64.24 -46.35 84.18 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.226 -0.443 . . . . 75.55 110.909 -179.94 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 5.8 ptmm? -77.53 -26.97 51.52 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.26 -0.427 . . . . 73.03 110.913 179.885 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -75.05 -59.73 2.61 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.215 -0.448 . . . . 75.52 110.916 179.862 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 95.5 mt -54.85 -29.55 55.45 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.231 -0.44 . . . . 74.11 110.899 179.921 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -66.0 -27.86 68.44 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.148 -0.478 . . . . 75.44 111.117 179.795 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 2.2 mt-10 -73.42 -49.41 27.16 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.167 -0.469 . . . . 74.33 110.915 -179.936 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 1.8 mm-40 -72.74 -51.2 20.14 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.138 -0.483 . . . . 74.43 110.903 -179.956 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -54.09 -30.74 49.57 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.104 -0.498 . . . . 72.33 111.123 179.896 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -71.07 -54.44 11.12 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.219 -0.446 . . . . 62.11 111.021 179.953 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -63.54 -34.17 77.2 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.203 -0.453 . . . . 75.31 110.96 179.986 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 5.8 mt -76.64 -39.22 52.99 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.15 -0.477 . . . . 74.12 110.943 179.882 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 6.5 mt -50.61 -50.68 53.46 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.236 -0.438 . . . . 74.31 110.907 179.875 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 7.0 mm-40 -90.74 12.44 19.15 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.176 -0.466 . . . . 74.21 110.874 -179.991 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . -59.45 -14.52 27.87 Favored Glycine 0 N--CA 1.452 -0.292 0 C-N-CA 120.763 -0.732 . . . . 70.11 112.423 -179.941 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . 135.47 45.49 0.1 OUTLIER Glycine 0 N--CA 1.452 -0.279 0 C-N-CA 120.72 -0.753 . . . . 74.43 112.494 -179.844 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . -95.89 -75.66 1.28 Allowed Glycine 0 N--CA 1.452 -0.266 0 C-N-CA 120.769 -0.729 . . . . 71.52 112.446 -179.879 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . 176.61 126.35 0.96 Allowed Glycine 0 N--CA 1.452 -0.291 0 C-N-CA 120.745 -0.74 . . . . 74.41 112.436 -179.897 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . -168.66 -152.32 7.64 Favored Glycine 0 N--CA 1.452 -0.278 0 C-N-CA 120.69 -0.767 . . . . 44.24 112.475 -179.947 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . 179.67 -40.43 0.08 OUTLIER Glycine 0 N--CA 1.451 -0.331 0 C-N-CA 120.821 -0.704 . . . . 71.34 112.528 -179.872 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . -112.27 152.09 17.9 Favored Glycine 0 N--CA 1.451 -0.335 0 C-N-CA 120.772 -0.727 . . . . 75.4 112.465 -179.922 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . -63.54 -25.74 69.04 Favored Glycine 0 N--CA 1.451 -0.306 0 C-N-CA 120.694 -0.765 . . . . 62.32 112.492 -179.961 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 27.9 tt0 -52.71 -31.97 40.46 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.858 0.361 . . . . 72.44 110.936 -179.906 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 46.7 tp -53.44 -54.78 31.99 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.119 -0.491 . . . . 73.24 110.938 179.961 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 38' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -70.87 -36.34 72.75 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.196 -0.456 . . . . 73.5 110.89 179.835 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 30.9 tttt -54.12 -27.93 36.42 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.23 -0.441 . . . . 75.11 110.867 179.975 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 7.0 mt -69.99 -47.2 63.17 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.272 -0.422 . . . . 71.01 110.895 179.933 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 41' ' ' CYS . . . . . . . . . . . . . 34.9 t -74.86 -29.92 61.17 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.179 -0.464 . . . . 70.21 110.827 179.994 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 16.8 mm-40 -58.03 -25.83 61.65 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.202 -0.454 . . . . 73.35 110.946 -179.955 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 6.1 mm-40 -54.83 -37.37 66.07 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.21 -0.45 . . . . 72.43 110.839 -179.92 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -51.78 -41.88 61.99 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.168 -0.469 . . . . 74.4 111.114 179.952 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -75.16 -22.83 57.83 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.255 -0.429 . . . . 74.12 111.074 179.919 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -74.97 -49.33 20.34 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.219 -0.446 . . . . 73.4 110.834 -179.984 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 9.2 mmpt? -72.99 -49.41 29.21 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.229 -0.442 . . . . 72.41 110.889 179.932 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -51.99 -29.63 21.52 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.238 -0.437 . . . . 72.34 111.11 179.821 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 16.4 tt0 -74.69 -48.1 27.86 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.235 -0.439 . . . . 73.14 110.866 -179.966 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -56.02 -43.91 78.2 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.205 -0.452 . . . . 75.1 110.832 -179.885 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 8.5 mt -73.14 -46.85 48.63 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.144 -0.48 . . . . 75.35 110.892 -179.975 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 52' ' ' PHE . . . . . . . . . . . . . 65.1 t80 -56.5 -24.96 49.75 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.24 -0.437 . . . . 75.11 110.878 179.98 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -68.05 -47.71 67.59 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.148 -0.478 . . . . 74.42 110.889 179.915 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 54' ' ' LEU . . . . . . . . . . . . . 1.1 tp -73.28 -24.09 60.38 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.29 -0.414 . . . . 72.13 110.958 179.919 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -55.93 -24.81 40.07 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.17 -0.468 . . . . 74.14 111.123 179.761 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 9.4 mt-10 -77.53 -26.31 50.93 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.211 -0.45 . . . . 71.01 110.831 -179.942 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 19.7 tp10 -65.43 -49.38 69.41 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.236 -0.438 . . . . 74.41 110.831 -179.918 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -78.62 -15.33 58.65 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.182 -0.463 . . . . 64.31 110.849 -179.876 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 59' ' ' LEU . . . . . . . . . . . . . 22.2 tp -92.6 -76.99 0.45 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.221 -0.445 . . . . 74.3 110.867 -179.922 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -102.49 -175.09 2.72 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.201 -0.454 . . . . 70.5 110.917 179.83 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 24.4 tttt -118.21 90.69 3.39 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.248 -0.433 . . . . 73.31 110.944 179.837 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 2.8 mt . . . . . 0 C--N 1.329 -0.32 0 CA-C-N 116.259 -0.428 . . . . 73.0 110.896 179.967 . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' B' B ' 1' ' ' MET . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 C--O 1.231 0.087 0 CA-C-O 120.815 0.34 . . . . 70.33 110.861 . . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 2' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -155.06 -179.94 8.54 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.242 -0.435 . . . . 73.51 110.956 179.938 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 3' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -127.68 -48.39 1.39 Allowed 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.245 -0.434 . . . . 75.33 110.929 179.872 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 4' ' ' LEU . . . . . . . . . . . . . 4.4 mm? -52.13 -67.38 0.26 Allowed 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.22 -0.446 . . . . 72.44 110.872 179.915 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 5' ' ' ARG . . . . . . . . . . . . . 8.6 ptp180 -67.32 -36.37 81.33 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.205 -0.452 . . . . 73.04 110.867 179.941 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 6' ' ' GLU . . . . . 0.569 ' HE2' ' HD2' ' B' ' 10' ' ' LYS . 1.2 tm-20 -53.97 -28.93 40.57 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.258 -0.428 . . . . 64.55 110.845 -179.899 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 7' ' ' GLU . . . . . . . . . . . . . 2.1 mt-10 -57.33 -56.37 22.71 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.182 -0.463 . . . . 74.45 110.842 -179.913 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 8' ' ' ALA . . . . . . . . . . . . . . . -54.05 -27.14 30.51 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.159 -0.473 . . . . 72.31 111.12 179.914 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 9' ' ' ALA . . . . . . . . . . . . . . . -73.55 -41.38 63.04 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.23 -0.441 . . . . 41.43 111.102 179.96 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 10' ' ' LYS . . . . . 0.569 ' HD2' ' HE2' ' B' ' 6' ' ' GLU . 0.1 OUTLIER -62.48 -33.53 75.04 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.228 -0.442 . . . . 74.42 110.879 179.985 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' B' B ' 11' ' ' LEU . . . . . . . . . . . . . 62.1 mt -51.89 -43.54 63.36 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.215 -0.448 . . . . 73.21 110.859 179.971 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 12' ' ' PHE . . . . . . . . . . . . . 24.7 m-85 -74.12 -26.76 60.52 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.252 -0.431 . . . . 74.53 110.855 179.951 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 13' ' ' GLU . . . . . . . . . . . . . 3.7 tt0 -62.96 -45.06 94.25 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.177 -0.465 . . . . 73.41 110.888 -179.905 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 14' ' ' GLU . . . . . . . . . . . . . 8.4 mt-10 -74.4 -32.5 62.71 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.117 -0.492 . . . . 62.32 110.912 -179.937 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 15' ' ' TRP . . . . . . . . . . . . . 0.6 OUTLIER -60.83 -44.63 96.67 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.162 -0.472 . . . . 75.13 110.893 -179.961 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 16' ' ' LYS . . . . . . . . . . . . . 5.7 ptmm? -77.08 -24.64 51.85 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.227 -0.442 . . . . 75.32 110.892 179.929 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 17' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -74.81 -51.44 14.03 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.196 -0.456 . . . . 75.43 110.931 179.854 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 18' ' ' LEU . . . . . . . . . . . . . 97.5 mt -54.96 -28.45 51.48 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.254 -0.43 . . . . 74.35 110.843 179.917 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 19' ' ' ALA . . . . . . . . . . . . . . . -64.2 -25.54 68.12 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.244 -0.435 . . . . 65.43 111.09 179.85 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 20' ' ' GLU . . . . . . . . . . . . . 2.1 mt-10 -73.13 -49.37 28.67 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.203 -0.453 . . . . 61.51 110.835 -179.89 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 21' ' ' GLU . . . . . . . . . . . . . 1.8 mm-40 -72.16 -51.2 22.39 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.167 -0.469 . . . . 64.4 110.889 -179.907 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 22' ' ' ALA . . . . . . . . . . . . . . . -54.44 -30.75 53.69 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.115 -0.493 . . . . 73.24 111.155 179.923 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 23' ' ' ALA . . . . . . . . . . . . . . . -71.16 -54.34 11.37 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.168 -0.469 . . . . 75.15 111.085 179.972 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 24' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -63.42 -34.24 77.31 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.222 -0.445 . . . . 73.14 110.974 179.902 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 25' ' ' LEU . . . . . . . . . . . . . 6.0 mt -76.68 -39.33 52.48 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.174 -0.466 . . . . 63.42 110.907 179.915 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 26' ' ' LEU . . . . . . . . . . . . . 6.5 mt -50.69 -50.17 55.58 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.14 -0.482 . . . . 75.22 110.974 179.917 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 27' ' ' GLU . . . . . 0.636 ' HE2' HD23 ' B' ' 37' ' ' LEU . 7.1 mm-40 -90.8 12.39 19.44 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.221 -0.445 . . . . 74.11 110.891 179.869 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 28' ' ' GLY . . . . . . . . . . . . . . . -59.25 -14.6 26.81 Favored Glycine 0 N--CA 1.451 -0.356 0 C-N-CA 120.76 -0.734 . . . . 71.23 112.528 179.945 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 29' ' ' GLY . . . . . . . . . . . . . . . 136.46 45.25 0.09 OUTLIER Glycine 0 N--CA 1.452 -0.291 0 C-N-CA 120.719 -0.753 . . . . 73.32 112.476 -179.931 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 30' ' ' GLY . . . . . . . . . . . . . . . -96.03 -73.15 1.16 Allowed Glycine 0 N--CA 1.451 -0.335 0 C-N-CA 120.764 -0.731 . . . . 72.23 112.503 -179.93 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 31' ' ' GLY . . . . . . . . . . . . . . . 178.45 124.75 0.88 Allowed Glycine 0 N--CA 1.45 -0.372 0 C-N-CA 120.751 -0.738 . . . . 75.22 112.495 -179.945 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 32' ' ' GLY . . . . . . . . . . . . . . . -169.74 -150.68 6.95 Favored Glycine 0 N--CA 1.451 -0.335 0 C-N-CA 120.741 -0.743 . . . . 72.14 112.494 -179.919 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 33' ' ' GLY . . . . . . . . . . . . . . . -179.23 -40.19 0.07 OUTLIER Glycine 0 N--CA 1.451 -0.355 0 C-N-CA 120.784 -0.722 . . . . 73.4 112.465 -179.865 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 34' ' ' GLY . . . . . . . . . . . . . . . -112.64 152.13 17.98 Favored Glycine 0 N--CA 1.45 -0.383 0 C-N-CA 120.728 -0.749 . . . . 75.32 112.528 -179.893 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 35' ' ' GLY . . . . . . . . . . . . . . . -63.25 -25.57 68.48 Favored Glycine 0 N--CA 1.451 -0.332 0 C-N-CA 120.714 -0.755 . . . . 65.45 112.538 -179.95 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 36' ' ' GLU . . . . . . . . . . . . . 27.7 tt0 -52.59 -30.45 31.16 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.879 0.371 . . . . 74.2 110.907 -179.917 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 37' ' ' LEU . . . . . 0.636 HD23 ' HE2' ' B' ' 27' ' ' GLU . 49.0 tp -51.94 -54.99 23.07 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.103 -0.499 . . . . 73.33 110.92 -179.973 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 38' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -71.12 -39.14 72.22 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.195 -0.457 . . . . 61.55 110.82 179.865 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 39' ' ' LYS . . . . . . . . . . . . . 31.1 tttt -56.32 -28.11 57.81 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.248 -0.433 . . . . 75.41 110.881 -179.984 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 40' ' ' LEU . . . . . . . . . . . . . 6.9 mt -70.98 -46.11 62.88 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.207 -0.451 . . . . 73.31 110.93 179.963 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 41' ' ' CYS . . . . . . . . . . . . . 29.2 t -74.58 -27.43 60.48 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.178 -0.464 . . . . 53.43 110.894 179.937 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 42' ' ' GLU . . . . . . . . . . . . . 16.7 mm-40 -54.28 -25.76 25.39 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.212 -0.449 . . . . 62.12 110.896 -179.875 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 43' ' ' GLU . . . . . . . . . . . . . 6.2 mm-40 -55.47 -33.62 63.81 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.167 -0.47 . . . . 72.51 110.897 -179.981 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 44' ' ' ALA . . . . . . . . . . . . . . . -51.2 -43.49 61.37 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.101 -0.5 . . . . 63.5 111.118 179.966 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 45' ' ' ALA . . . . . . . . . . . . . . . -75.33 -22.74 57.39 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.16 -0.473 . . . . 62.45 111.099 179.921 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 46' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -77.43 -50.34 12.9 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.236 -0.438 . . . . 73.3 110.978 179.882 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 47' ' ' LYS . . . . . . . . . . . . . 9.2 mmpt? -70.6 -54.05 13.53 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.207 -0.452 . . . . 71.24 110.913 179.823 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 48' ' ' ALA . . . . . . . . . . . . . . . -52.05 -29.55 21.73 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.222 -0.445 . . . . 75.32 111.096 179.849 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 49' ' ' GLU . . . . . . . . . . . . . 16.4 tt0 -77.08 -48.17 18.54 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.215 -0.448 . . . . 65.53 110.849 -179.932 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 50' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -53.96 -39.62 66.12 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.135 -0.484 . . . . 71.13 110.926 -179.921 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 51' ' ' LEU . . . . . . . . . . . . . 8.3 mt -72.27 -42.84 65.11 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.135 -0.484 . . . . 63.43 110.928 -179.993 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 52' ' ' PHE . . . . . . . . . . . . . 65.8 t80 -56.08 -25.24 44.57 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.214 -0.448 . . . . 73.54 110.932 179.886 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 53' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -67.9 -47.95 67.38 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.085 -0.507 . . . . 74.21 110.846 -179.995 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 54' ' ' LEU . . . . . . . . . . . . . 1.1 tp -72.63 -24.05 61.01 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.2 -0.455 . . . . 71.23 110.912 179.919 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 55' ' ' ALA . . . . . . . . . . . . . . . -55.99 -24.8 41.03 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.232 -0.44 . . . . 73.41 111.175 179.765 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 56' ' ' GLU . . . . . . . . . . . . . 9.6 mt-10 -77.57 -26.07 50.55 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.176 -0.466 . . . . 74.02 110.924 -179.956 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 57' ' ' GLU . . . . . . . . . . . . . 19.7 tp10 -65.35 -49.27 70.0 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.172 -0.467 . . . . 65.15 110.884 -179.951 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 58' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -78.72 -15.61 58.24 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.202 -0.453 . . . . 74.22 110.84 -179.919 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 59' ' ' LEU . . . . . . . . . . . . . 22.7 tp -92.06 -77.05 0.44 Allowed 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.187 -0.46 . . . . 64.43 110.937 179.986 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 60' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -102.42 -175.2 2.76 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.234 -0.439 . . . . 75.43 110.899 179.821 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 61' ' ' LYS . . . . . . . . . . . . . 24.4 tttt -118.43 90.65 3.38 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.242 -0.436 . . . . 64.34 110.906 179.887 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 62' ' ' LEU . . . . . . . . . . . . . 2.8 mt . . . . . 0 C--N 1.328 -0.345 0 CA-C-N 116.24 -0.436 . . . . 62.32 110.946 179.934 . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' A' A ' 101' ' ' HLT . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.231 0.093 0 CA-C-O 120.838 0.352 . . . . 73.14 110.842 . . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -86.44 164.32 17.06 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.266 -0.424 . . . . 74.4 110.889 179.951 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 11.5 tttt -139.19 -74.13 0.38 Allowed 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.236 -0.438 . . . . 72.53 110.873 179.837 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 2.1 pt? -125.36 -1.56 7.55 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.243 -0.435 . . . . 73.33 110.864 -179.997 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 16.5 mmt180 -64.9 -29.36 70.31 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.216 -0.447 . . . . 73.21 110.845 179.981 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 1.8 mt-10 -57.27 -28.13 62.71 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.171 -0.468 . . . . 73.12 110.883 -179.932 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 3.4 mm-40 -54.76 -35.51 63.84 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.22 -0.445 . . . . 63.22 110.943 -179.98 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -72.0 -27.0 62.45 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.11 -0.495 . . . . 74.21 111.07 179.972 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -60.67 -40.35 91.78 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.203 -0.453 . . . . 75.22 111.096 179.947 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 11.9 mtmt -58.56 -30.49 67.18 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.175 -0.466 . . . . 62.51 110.894 179.975 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 61.3 mt -51.92 -44.59 63.92 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.227 -0.442 . . . . 74.31 110.878 179.939 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 24.3 m-85 -73.94 -25.86 60.19 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.172 -0.467 . . . . 72.31 110.916 179.978 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 1.2 tt0 -58.44 -38.49 77.59 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.145 -0.48 . . . . 75.15 110.933 -179.969 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 22.7 mt-10 -74.0 -35.12 64.4 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.136 -0.483 . . . . 64.44 110.897 -179.935 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 15' ' ' TRP . . . . . . . . . . . . . 14.3 m0 -54.98 -53.16 59.22 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.15 -0.477 . . . . 74.44 110.87 -179.929 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -70.94 -26.03 63.01 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.201 -0.454 . . . . 71.44 110.896 -179.985 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -69.08 -60.02 2.64 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.194 -0.457 . . . . 74.54 110.939 179.844 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 2.5 mt -56.53 -25.19 51.1 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.289 -0.414 . . . . 72.52 110.895 179.857 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -73.34 -29.53 62.73 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.249 -0.432 . . . . 75.14 111.079 179.838 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 21.1 tt0 -73.14 -49.95 25.42 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.248 -0.433 . . . . 71.51 110.89 -179.862 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 9.6 pt-20 -56.79 -46.42 81.57 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.073 -0.512 . . . . 63.14 110.915 -179.958 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -64.2 -32.95 74.72 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.121 -0.49 . . . . 73.13 111.12 179.928 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -70.95 -49.71 42.59 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.16 -0.473 . . . . 74.04 111.124 179.938 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -64.45 -36.66 84.9 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.244 -0.435 . . . . 71.51 110.839 179.936 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 11.2 mt -76.65 -38.75 54.04 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.307 -0.406 . . . . 74.22 110.934 179.942 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 6.2 mt -50.22 -46.31 54.55 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.212 -0.449 . . . . 73.32 110.957 179.828 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 37.1 mt-10 -89.4 -11.6 42.72 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.161 -0.472 . . . . 73.25 110.93 179.913 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . 67.32 29.86 74.73 Favored Glycine 0 N--CA 1.452 -0.276 0 C-N-CA 120.706 -0.759 . . . . 72.12 112.495 -179.98 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . 85.85 19.96 56.77 Favored Glycine 0 N--CA 1.452 -0.29 0 C-N-CA 120.685 -0.769 . . . . 72.23 112.507 -179.885 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . 134.39 112.71 1.3 Allowed Glycine 0 N--CA 1.452 -0.285 0 C-N-CA 120.737 -0.744 . . . . 53.31 112.466 -179.872 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . 143.12 -157.12 26.79 Favored Glycine 0 N--CA 1.45 -0.386 0 C-N-CA 120.76 -0.733 . . . . 72.04 112.522 -179.934 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . 91.48 166.21 40.08 Favored Glycine 0 N--CA 1.452 -0.286 0 C-N-CA 120.766 -0.731 . . . . 65.53 112.44 -179.902 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -76.16 80.45 1.11 Allowed Glycine 0 N--CA 1.451 -0.35 0 C-N-CA 120.696 -0.764 . . . . 34.12 112.492 -179.91 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 74.7 173.12 30.39 Favored Glycine 0 N--CA 1.452 -0.235 0 C-N-CA 120.676 -0.773 . . . . 73.3 112.422 -179.943 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . -100.56 -22.53 11.21 Favored Glycine 0 N--CA 1.451 -0.326 0 C-N-CA 120.77 -0.728 . . . . 73.12 112.489 -179.932 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 2.9 tt0 -61.38 -41.88 97.81 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.907 0.384 . . . . 71.23 110.865 -179.905 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 52.6 tp -58.41 -48.95 78.99 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.087 -0.506 . . . . 74.31 110.896 -179.936 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 38' ' ' MET . . . . . . . . . . . . . 1.3 ttp -72.12 -28.19 63.11 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.168 -0.469 . . . . 74.23 110.891 179.859 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -54.89 -28.16 48.36 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.236 -0.438 . . . . 74.54 110.933 179.934 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 16.9 mt -72.07 -33.45 67.93 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.217 -0.447 . . . . 73.44 110.876 179.958 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 41' ' ' CYS . . . . . . . . . . . . . 33.4 m -72.0 -39.27 69.35 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 116.187 -0.46 . . . . 74.23 110.848 179.942 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 2.7 tt0 -61.33 -26.52 67.86 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.231 -0.441 . . . . 63.34 110.897 -179.854 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 3.6 mm-40 -55.44 -26.31 41.32 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.125 -0.489 . . . . 73.41 110.886 -179.998 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -52.5 -43.68 65.21 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.188 -0.46 . . . . 64.32 111.139 179.966 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -75.07 -25.13 58.37 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.225 -0.443 . . . . 74.12 111.064 179.939 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -67.86 -46.06 72.81 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.202 -0.453 . . . . 62.53 110.935 179.967 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -55.49 -54.33 45.28 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.222 -0.445 . . . . 64.22 110.901 179.832 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -61.11 -31.45 71.15 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.213 -0.449 . . . . 75.53 111.132 179.808 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 9.6 mt-10 -74.09 -30.19 62.22 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.223 -0.444 . . . . 72.31 110.877 -179.946 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 18.1 tt0 -71.38 -50.8 28.51 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.1 -0.5 . . . . 62.05 110.914 -179.867 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 2.5 pp -69.64 -29.36 66.82 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.108 -0.496 . . . . 74.45 110.893 -179.986 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 52' ' ' PHE . . . . . . . . . . . . . 83.8 t80 -56.39 -26.56 53.49 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.15 -0.477 . . . . 75.41 110.922 179.922 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -57.41 -57.58 12.03 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.175 -0.466 . . . . 74.33 110.916 179.948 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 54' ' ' LEU . . . . . . . . . . . . . 9.5 mt -73.9 -43.8 57.28 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.212 -0.449 . . . . 74.42 110.924 179.9 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -57.56 -27.21 62.46 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.183 -0.462 . . . . 74.41 111.079 179.863 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 1.8 tt0 -62.69 -32.55 73.65 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.21 -0.45 . . . . 75.43 110.902 -179.917 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 30.4 tt0 -59.0 -54.23 49.5 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.162 -0.472 . . . . 54.15 110.834 -179.913 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -77.62 -29.03 51.62 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.154 -0.475 . . . . 73.33 110.85 -179.905 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 59' ' ' LEU . . . . . . . . . . . . . 19.7 mt -67.11 -59.73 3.21 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.298 -0.41 . . . . 75.44 110.87 -179.943 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -122.95 -89.24 0.6 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.239 -0.437 . . . . 75.02 110.848 179.874 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 174.24 34.59 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.238 -0.437 . . . . 75.35 110.862 179.842 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 C--N 1.328 -0.347 0 CA-C-N 116.192 -0.458 . . . . 71.1 110.938 179.91 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 1' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.231 0.117 0 CA-C-O 120.777 0.322 . . . . 73.34 110.896 . . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 2' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -86.4 164.32 17.1 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.227 -0.442 . . . . 74.04 110.973 179.902 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 3' ' ' LYS . . . . . . . . . . . . . 11.5 tttt -139.12 -74.21 0.38 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.258 -0.428 . . . . 74.1 110.901 179.896 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 4' ' ' LEU . . . . . . . . . . . . . 2.1 pt? -125.32 -1.61 7.58 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.155 -0.475 . . . . 75.41 110.894 179.933 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 5' ' ' ARG . . . . . . . . . . . . . 16.5 mmt180 -64.9 -29.37 70.31 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.213 -0.449 . . . . 75.23 110.87 179.995 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 6' ' ' GLU . . . . . . . . . . . . . 1.8 mt-10 -57.37 -28.23 63.0 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.206 -0.452 . . . . 74.45 110.875 -179.919 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 7' ' ' GLU . . . . . . . . . . . . . 3.4 mm-40 -54.77 -35.49 63.85 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.112 -0.494 . . . . 73.01 110.925 -179.933 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 8' ' ' ALA . . . . . . . . . . . . . . . -72.1 -27.08 62.41 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.121 -0.49 . . . . 65.35 111.079 179.929 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 9' ' ' ALA . . . . . . . . . . . . . . . -60.67 -40.31 91.6 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.251 -0.431 . . . . 74.3 111.125 179.924 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 10' ' ' LYS . . . . . . . . . . . . . 11.9 mtmt -58.54 -30.5 67.16 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.276 -0.42 . . . . 75.2 110.91 179.925 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 11' ' ' LEU . . . . . . . . . . . . . 60.9 mt -52.03 -44.49 64.21 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.246 -0.434 . . . . 70.12 110.889 179.982 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 12' ' ' PHE . . . . . . . . . . . . . 24.3 m-85 -73.96 -25.9 60.19 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.187 -0.461 . . . . 72.01 110.889 179.927 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 13' ' ' GLU . . . . . . . . . . . . . 1.3 tt0 -58.59 -38.33 77.7 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.111 -0.495 . . . . 74.53 110.798 -179.845 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 14' ' ' GLU . . . . . . . . . . . . . 22.8 mt-10 -74.11 -34.89 64.09 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.209 -0.45 . . . . 74.53 110.875 -179.9 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 15' ' ' TRP . . . . . . . . . . . . . 14.1 m0 -55.05 -53.12 59.86 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 116.126 -0.488 . . . . 75.05 110.95 -179.935 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 16' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -70.96 -26.14 63.04 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.201 -0.454 . . . . 73.23 110.882 179.888 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 17' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -68.99 -59.99 2.67 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.233 -0.44 . . . . 73.21 110.948 179.854 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 18' ' ' LEU . . . . . . . . . . . . . 2.5 mt -56.75 -25.13 54.21 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.145 -0.479 . . . . 71.21 110.889 179.905 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 19' ' ' ALA . . . . . . . . . . . . . . . -73.37 -29.6 62.74 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.217 -0.447 . . . . 73.32 111.073 179.79 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 20' ' ' GLU . . . . . . . . . . . . . 21.1 tt0 -73.07 -49.9 25.94 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.206 -0.452 . . . . 75.31 110.965 -179.87 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 21' ' ' GLU . . . . . . . . . . . . . 9.7 pt-20 -56.82 -46.5 81.62 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.127 -0.488 . . . . 75.02 110.897 179.989 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 22' ' ' ALA . . . . . . . . . . . . . . . -64.13 -32.97 74.74 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.16 -0.473 . . . . 74.21 111.137 179.918 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 23' ' ' ALA . . . . . . . . . . . . . . . -70.86 -49.77 42.47 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.193 -0.458 . . . . 70.31 111.096 179.94 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 24' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -64.49 -36.62 84.79 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.195 -0.457 . . . . 73.43 110.897 179.987 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 25' ' ' LEU . . . . . . . . . . . . . 11.2 mt -76.66 -38.75 54.01 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.179 -0.464 . . . . 70.3 110.871 179.947 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 26' ' ' LEU . . . . . . . . . . . . . 6.1 mt -50.38 -46.18 55.87 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.25 -0.432 . . . . 72.2 110.954 179.94 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 27' ' ' GLU . . . . . . . . . . . . . 37.3 mt-10 -89.39 -11.7 42.46 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 116.204 -0.453 . . . . 75.24 110.885 179.882 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 28' ' ' GLY . . . . . . . . . . . . . . . 67.31 29.93 74.83 Favored Glycine 0 N--CA 1.452 -0.268 0 C-N-CA 120.764 -0.731 . . . . 74.42 112.507 -179.924 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 29' ' ' GLY . . . . . . . . . . . . . . . 85.78 20.07 56.69 Favored Glycine 0 N--CA 1.451 -0.339 0 C-N-CA 120.749 -0.738 . . . . 41.32 112.541 -179.93 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 30' ' ' GLY . . . . . . . . . . . . . . . 134.37 112.64 1.29 Allowed Glycine 0 N--CA 1.45 -0.374 0 C-N-CA 120.779 -0.724 . . . . 73.41 112.461 -179.903 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 31' ' ' GLY . . . . . . . . . . . . . . . 143.22 -157.05 26.8 Favored Glycine 0 N--CA 1.451 -0.348 0 C-N-CA 120.679 -0.772 . . . . 73.23 112.427 -179.976 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 32' ' ' GLY . . . . . . . . . . . . . . . 91.39 166.18 40.17 Favored Glycine 0 N--CA 1.452 -0.271 0 C-N-CA 120.71 -0.757 . . . . 63.12 112.466 -179.924 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 33' ' ' GLY . . . . . . . . . . . . . . . -76.14 80.57 1.1 Allowed Glycine 0 N--CA 1.452 -0.295 0 C-N-CA 120.697 -0.763 . . . . 63.03 112.447 -179.87 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 34' ' ' GLY . . . . . . . . . . . . . . . 74.59 173.14 30.02 Favored Glycine 0 N--CA 1.45 -0.376 0 C-N-CA 120.755 -0.736 . . . . 60.11 112.444 -179.988 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 35' ' ' GLY . . . . . . . . . . . . . . . -100.58 -22.54 11.16 Favored Glycine 0 N--CA 1.452 -0.245 0 C-N-CA 120.719 -0.753 . . . . 54.44 112.462 -179.88 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 36' ' ' GLU . . . . . . . . . . . . . 2.9 tt0 -61.44 -41.73 97.65 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.85 0.357 . . . . 74.34 110.966 -179.941 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 37' ' ' LEU . . . . . . . . . . . . . 52.5 tp -58.41 -48.88 79.23 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.145 -0.48 . . . . 74.34 110.957 179.943 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 38' ' ' MET . . . . . . . . . . . . . 1.3 ttp -72.18 -28.2 63.06 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.108 -0.496 . . . . 73.53 110.912 179.854 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 39' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -54.96 -28.22 49.73 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.238 -0.437 . . . . 74.4 110.915 179.937 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 40' ' ' LEU . . . . . . . . . . . . . 16.9 mt -72.01 -33.45 68.07 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.243 -0.435 . . . . 73.22 110.942 179.874 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 41' ' ' CYS . . . . . . . . . . . . . 33.4 m -71.87 -39.35 69.71 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.181 -0.463 . . . . 64.05 110.883 179.902 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 42' ' ' GLU . . . . . . . . . . . . . 2.7 tt0 -61.27 -26.55 67.84 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.214 -0.448 . . . . 74.4 110.87 -179.84 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 43' ' ' GLU . . . . . . . . . . . . . 3.6 mm-40 -55.51 -26.21 41.59 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.232 -0.44 . . . . 74.5 110.901 -179.974 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 44' ' ' ALA . . . . . . . . . . . . . . . -52.53 -43.75 65.34 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.173 -0.467 . . . . 72.11 111.053 179.969 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 45' ' ' ALA . . . . . . . . . . . . . . . -75.0 -25.12 58.59 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.206 -0.452 . . . . 72.44 111.02 179.988 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 46' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -68.03 -46.14 72.02 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.237 -0.438 . . . . 73.15 110.899 -179.931 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 47' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -55.59 -54.22 46.76 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.152 -0.476 . . . . 75.51 110.907 179.899 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 48' ' ' ALA . . . . . . . . . . . . . . . -61.07 -31.6 71.26 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.21 -0.45 . . . . 74.43 111.133 179.763 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 49' ' ' GLU . . . . . . . . . . . . . 9.7 mt-10 -74.06 -30.17 62.26 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.189 -0.459 . . . . 73.11 110.89 -179.923 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 50' ' ' GLU . . . . . . . . . . . . . 18.0 tt0 -71.33 -50.87 28.04 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.147 -0.478 . . . . 74.14 110.859 -179.929 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 51' ' ' LEU . . . . . . . . . . . . . 2.5 pp -69.7 -29.32 66.7 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.197 -0.456 . . . . 74.32 110.887 -179.901 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 52' ' ' PHE . . . . . . . . . . . . . 83.8 t80 -56.47 -26.59 54.52 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.227 -0.442 . . . . 74.21 110.844 179.947 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 53' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -57.37 -57.65 11.71 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.106 -0.497 . . . . 74.31 110.9 179.961 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 54' ' ' LEU . . . . . . . . . . . . . 9.5 mt -73.71 -43.91 57.92 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.202 -0.454 . . . . 75.55 110.928 179.884 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 55' ' ' ALA . . . . . . . . . . . . . . . -57.51 -27.3 62.43 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.205 -0.452 . . . . 73.12 111.116 179.831 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 56' ' ' GLU . . . . . . . . . . . . . 1.7 tt0 -62.59 -32.67 73.7 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.2 -0.454 . . . . 75.15 110.916 -179.967 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 57' ' ' GLU . . . . . . . . . . . . . 30.3 tt0 -58.97 -54.13 50.55 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.086 -0.506 . . . . 72.22 110.957 -179.941 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 58' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -77.68 -28.99 51.26 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.105 -0.498 . . . . 73.34 110.842 -179.918 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 59' ' ' LEU . . . . . . . . . . . . . 19.7 mt -67.19 -59.74 3.19 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.174 -0.466 . . . . 65.54 110.892 -179.885 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 60' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -122.91 -89.21 0.6 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.146 -0.479 . . . . 72.35 110.869 179.818 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 61' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 174.23 34.46 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.209 -0.45 . . . . 73.2 110.874 179.875 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 62' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 C--N 1.328 -0.347 0 CA-C-N 116.232 -0.44 . . . . 72.54 110.908 179.894 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 101' ' ' HLT . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 C--O 1.232 0.149 0 CA-C-O 120.874 0.369 . . . . 72.12 110.865 . . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -96.99 -170.13 1.99 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.234 -0.439 . . . . 72.5 110.889 179.949 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 12.3 mttt -150.5 25.14 0.78 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.185 -0.461 . . . . 75.33 110.907 179.864 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -146.26 -66.52 0.29 Allowed 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.172 -0.467 . . . . 75.24 110.911 179.936 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 15.9 mtt180 -71.96 -35.7 69.62 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.168 -0.469 . . . . 74.14 110.893 179.953 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -53.91 -26.62 26.1 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.2 -0.455 . . . . 73.1 110.865 -179.907 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 1.4 mm-40 -53.48 -38.0 63.24 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.176 -0.465 . . . . 75.25 110.794 -179.93 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -65.61 -26.79 67.99 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.209 -0.45 . . . . 74.21 111.209 179.869 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -63.07 -43.95 97.16 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.153 -0.476 . . . . 74.12 111.105 179.887 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 9.2 mtpt -66.03 -32.82 74.51 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.244 -0.435 . . . . 75.23 110.947 179.961 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 61.7 mt -52.17 -45.12 64.97 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.202 -0.454 . . . . 64.24 110.869 179.908 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 23.4 m-85 -72.93 -23.81 60.73 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.203 -0.453 . . . . 73.43 110.88 179.953 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -57.95 -33.97 69.41 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.151 -0.477 . . . . 52.43 110.889 -179.946 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 7.0 mt-10 -75.22 -35.14 61.49 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.187 -0.461 . . . . 72.24 110.873 -179.908 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 15' ' ' TRP . . . . . . . . . . . . . 28.7 m0 -53.97 -52.73 59.75 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.188 -0.46 . . . . 71.35 110.896 -179.935 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 6.6 tttt -67.87 -24.7 65.27 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.259 -0.428 . . . . 74.44 110.95 179.872 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -72.77 -52.52 14.71 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.204 -0.453 . . . . 75.43 110.888 179.829 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 2.0 mt -55.73 -25.01 38.32 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.275 -0.421 . . . . 74.55 111.004 179.87 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -73.15 -28.83 62.46 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.123 -0.49 . . . . 70.1 111.115 179.772 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 1.9 mm-40 -73.03 -49.47 28.57 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.209 -0.451 . . . . 75.15 110.878 -179.884 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 6.7 pt-20 -58.44 -36.51 73.76 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.103 -0.499 . . . . 71.53 110.874 -179.909 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -75.46 -33.1 60.82 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.111 -0.495 . . . . 74.24 111.07 179.949 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -70.73 -51.99 23.75 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.262 -0.426 . . . . 73.45 111.088 179.904 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -61.08 -37.44 82.7 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.241 -0.436 . . . . 74.24 110.904 -179.99 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 14.5 mt -76.82 -38.5 53.73 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 116.252 -0.431 . . . . 74.3 110.886 179.885 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 5.2 mt -50.09 -43.4 51.5 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.183 -0.462 . . . . 75.31 110.924 179.896 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 2.2 mt-10 -93.19 -12.17 30.95 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.171 -0.468 . . . . 74.03 110.893 179.937 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . 60.92 17.51 51.29 Favored Glycine 0 N--CA 1.452 -0.296 0 C-N-CA 120.708 -0.758 . . . . 71.04 112.472 179.987 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . 87.93 20.6 49.59 Favored Glycine 0 N--CA 1.45 -0.379 0 C-N-CA 120.778 -0.725 . . . . 62.33 112.508 -179.938 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . 139.1 80.45 0.07 OUTLIER Glycine 0 N--CA 1.451 -0.331 0 C-N-CA 120.679 -0.772 . . . . 72.13 112.47 -179.894 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . -159.96 156.79 28.03 Favored Glycine 0 N--CA 1.452 -0.291 0 C-N-CA 120.74 -0.743 . . . . 74.12 112.408 -179.902 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . 57.34 -118.37 12.3 Favored Glycine 0 C--N 1.331 0.264 0 C-N-CA 120.72 -0.752 . . . . 75.12 112.494 -179.92 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -158.41 -81.55 0.04 OUTLIER Glycine 0 N--CA 1.451 -0.306 0 C-N-CA 120.678 -0.772 . . . . 61.44 112.431 -179.899 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 121.67 -93.21 0.51 Allowed Glycine 0 N--CA 1.451 -0.316 0 C-N-CA 120.761 -0.733 . . . . 71.5 112.463 -179.916 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 54.99 -104.71 0.29 Allowed Glycine 0 N--CA 1.452 -0.275 0 C-N-CA 120.729 -0.748 . . . . 43.2 112.504 -179.899 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 67.5 tt0 -76.38 -26.19 55.35 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.869 0.366 . . . . 73.13 110.88 -179.872 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 18.0 tp -57.59 -58.03 10.11 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.165 -0.47 . . . . 75.01 110.92 179.982 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 38' ' ' MET . . . . . . . . . . . . . 35.1 ttm -63.72 -33.55 75.91 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.163 -0.472 . . . . 73.33 110.902 179.841 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 2.1 tttp -53.85 -35.06 61.08 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.204 -0.453 . . . . 75.1 110.873 179.943 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 61.7 mt -74.09 -36.21 64.26 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.179 -0.464 . . . . 73.34 110.908 179.922 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 41' ' ' CYS . . . . . . . . . . . . . 22.2 m -75.18 -28.25 59.97 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.204 -0.453 . . . . 74.52 110.912 179.923 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 2.6 mt-10 -61.61 -26.88 68.26 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.222 -0.445 . . . . 73.03 110.883 -179.893 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 3.0 mm-40 -55.66 -36.86 67.54 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.16 -0.473 . . . . 74.43 110.923 -179.936 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -51.87 -41.84 62.2 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.117 -0.492 . . . . 71.24 111.047 179.896 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -75.18 -22.76 57.82 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.241 -0.436 . . . . 74.42 111.092 179.984 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -74.3 -48.84 25.82 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.26 -0.427 . . . . 62.02 110.851 -179.993 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 1.3 mptp? -61.61 -53.7 52.82 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.201 -0.454 . . . . 74.44 110.897 179.87 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -57.89 -35.58 71.2 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.28 -0.418 . . . . 64.4 111.089 179.845 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 2.6 tm-20 -71.5 -41.63 69.03 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.191 -0.459 . . . . 74.31 110.852 -179.902 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 34.8 tt0 -71.34 -27.65 63.52 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.229 -0.441 . . . . 72.43 110.856 -179.927 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 9.9 mt -72.95 -48.79 33.77 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.177 -0.465 . . . . 73.02 110.926 -179.982 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 52' ' ' PHE . . . . . . . . . . . . . 46.5 t80 -62.31 -23.89 67.0 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.265 -0.425 . . . . 74.55 110.878 179.974 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -72.83 -58.71 3.14 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.143 -0.48 . . . . 75.21 110.926 179.881 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 54' ' ' LEU . . . . . . . . . . . . . 19.3 tp -67.47 -38.15 83.98 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.212 -0.449 . . . . 75.11 110.947 179.936 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -67.32 -33.84 76.1 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.171 -0.468 . . . . 55.23 111.124 179.799 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 33.5 tt0 -52.75 -29.12 25.4 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.245 -0.434 . . . . 72.31 110.927 -179.953 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 10.9 tt0 -61.94 -52.93 62.07 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.116 -0.493 . . . . 65.22 110.924 -179.979 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -77.78 -28.89 50.63 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.146 -0.479 . . . . 74.45 110.81 -179.895 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 59' ' ' LEU . . . . . . . . . . . . . 1.9 mp -70.64 -62.1 1.52 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.246 -0.434 . . . . 74.55 110.91 -179.901 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -122.77 -74.92 0.6 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.15 -0.477 . . . . 62.34 110.896 179.82 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -179.28 122.89 0.08 Allowed 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.194 -0.457 . . . . 75.52 110.964 179.878 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER . . . . . 0 C--N 1.328 -0.347 0 CA-C-N 116.264 -0.426 . . . . 72.11 110.934 179.941 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 1' ' ' MET . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 C--O 1.231 0.114 0 CA-C-O 120.815 0.34 . . . . 64.41 110.862 . . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 2' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -96.86 -169.97 1.97 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.169 -0.469 . . . . 73.32 110.934 179.898 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 3' ' ' LYS . . . . . . . . . . . . . 12.2 mttt -150.92 24.66 0.75 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.262 -0.426 . . . . 75.14 110.853 179.893 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 4' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -146.2 -66.34 0.29 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.245 -0.434 . . . . 63.14 110.927 179.858 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 5' ' ' ARG . . . . . . . . . . . . . 16.4 mtt180 -72.01 -40.68 68.33 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.185 -0.461 . . . . 74.45 110.895 179.908 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 6' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -54.48 -26.79 33.42 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.193 -0.458 . . . . 72.34 110.911 -179.969 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 7' ' ' GLU . . . . . . . . . . . . . 1.4 mm-40 -53.27 -39.62 64.04 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.083 -0.508 . . . . 74.32 110.902 -179.906 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 8' ' ' ALA . . . . . . . . . . . . . . . -63.68 -26.68 68.77 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.177 -0.465 . . . . 52.21 111.106 179.92 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 9' ' ' ALA . . . . . . . . . . . . . . . -69.26 -42.02 76.15 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.274 -0.421 . . . . 41.31 111.157 179.91 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 10' ' ' LYS . . . . . . . . . . . . . 9.8 mtpt -66.74 -28.01 68.07 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.166 -0.47 . . . . 75.13 110.889 179.937 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 11' ' ' LEU . . . . . . . . . . . . . 62.1 mt -51.81 -46.24 64.21 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.21 -0.45 . . . . 73.24 110.963 179.899 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 12' ' ' PHE . . . . . . . . . . . . . 24.0 m-85 -74.1 -26.51 60.4 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.119 -0.491 . . . . 65.52 110.884 179.963 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 13' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -59.08 -34.76 72.35 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.107 -0.497 . . . . 64.42 110.87 -179.943 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 14' ' ' GLU . . . . . . . . . . . . . 7.1 mt-10 -74.98 -34.38 61.98 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.177 -0.465 . . . . 71.02 110.914 -179.905 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 15' ' ' TRP . . . . . . . . . . . . . 20.4 m0 -57.05 -52.22 66.16 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.089 -0.505 . . . . 73.32 110.935 -179.971 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 16' ' ' LYS . . . . . . . . . . . . . 6.7 tttt -68.26 -25.05 64.98 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.271 -0.422 . . . . 71.42 110.856 179.931 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 17' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -73.06 -55.62 6.25 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.244 -0.434 . . . . 72.31 110.917 179.791 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 18' ' ' LEU . . . . . . . . . . . . . 2.0 mt -55.99 -25.59 44.75 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.236 -0.438 . . . . 74.11 110.942 179.968 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 19' ' ' ALA . . . . . . . . . . . . . . . -73.19 -29.14 62.61 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.127 -0.488 . . . . 70.03 111.119 179.737 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 20' ' ' GLU . . . . . . . . . . . . . 1.9 mm-40 -72.99 -49.37 29.41 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.221 -0.445 . . . . 65.22 110.952 -179.958 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 21' ' ' GLU . . . . . . . . . . . . . 6.7 pt-20 -58.43 -36.6 73.86 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.2 -0.455 . . . . 74.4 110.88 -179.981 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 22' ' ' ALA . . . . . . . . . . . . . . . -75.5 -33.28 60.75 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.124 -0.489 . . . . 75.03 111.09 179.937 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 23' ' ' ALA . . . . . . . . . . . . . . . -70.8 -51.95 23.63 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.213 -0.448 . . . . 74.13 111.057 179.982 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 24' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -60.89 -37.69 83.05 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.274 -0.421 . . . . 74.45 110.894 179.994 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 25' ' ' LEU . . . . . . . . . . . . . 14.7 mt -76.78 -38.55 53.84 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.223 -0.444 . . . . 75.25 110.938 179.92 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 26' ' ' LEU . . . . . . . . . . . . . 5.3 mt -50.14 -43.47 52.0 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.202 -0.454 . . . . 70.02 110.88 179.899 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 27' ' ' GLU . . . . . . . . . . . . . 2.1 mt-10 -95.23 -10.74 29.49 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.212 -0.449 . . . . 74.23 110.846 179.926 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 28' ' ' GLY . . . . . . . . . . . . . . . 62.15 18.21 57.26 Favored Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.786 -0.721 . . . . 71.44 112.494 -179.931 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 29' ' ' GLY . . . . . . . . . . . . . . . 89.02 18.59 53.7 Favored Glycine 0 N--CA 1.452 -0.274 0 C-N-CA 120.748 -0.739 . . . . 71.44 112.475 -179.907 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 30' ' ' GLY . . . . . . . . . . . . . . . 135.39 85.24 0.2 Allowed Glycine 0 N--CA 1.451 -0.338 0 C-N-CA 120.755 -0.736 . . . . 65.42 112.502 -179.914 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 31' ' ' GLY . . . . . . . . . . . . . . . -155.15 152.41 23.93 Favored Glycine 0 N--CA 1.451 -0.328 0 C-N-CA 120.765 -0.731 . . . . 74.04 112.477 -179.896 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 32' ' ' GLY . . . . . . . . . . . . . . . 52.41 -136.5 35.63 Favored Glycine 0 N--CA 1.452 -0.239 0 C-N-CA 120.714 -0.755 . . . . 63.43 112.411 -179.979 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 33' ' ' GLY . . . . . . . . . . . . . . . 179.64 -105.35 0.19 Allowed Glycine 0 N--CA 1.451 -0.349 0 C-N-CA 120.751 -0.738 . . . . 73.44 112.513 -179.888 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 34' ' ' GLY . . . . . . . . . . . . . . . 93.82 -46.84 2.28 Favored Glycine 0 N--CA 1.451 -0.344 0 C-N-CA 120.698 -0.763 . . . . 63.44 112.562 -179.904 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 35' ' ' GLY . . . . . . . . . . . . . . . 85.04 -85.34 1.57 Allowed Glycine 0 N--CA 1.451 -0.336 0 C-N-CA 120.712 -0.756 . . . . 63.31 112.5 -179.953 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 36' ' ' GLU . . . . . . . . . . . . . 62.3 tt0 -68.61 -23.32 64.44 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.852 0.358 . . . . 72.51 110.848 -179.877 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 37' ' ' LEU . . . . . . . . . . . . . 18.2 tp -51.47 -54.62 25.1 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.201 -0.454 . . . . 64.32 110.908 -179.984 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 38' ' ' MET . . . . . . . . . . . . . 35.0 ttm -62.01 -38.98 90.71 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.19 -0.459 . . . . 73.34 110.87 179.863 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 39' ' ' LYS . . . . . . . . . . . . . 2.2 tttp -54.12 -34.57 60.62 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.199 -0.455 . . . . 74.43 110.889 179.937 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 40' ' ' LEU . . . . . . . . . . . . . 69.4 mt -73.82 -34.98 64.8 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.211 -0.45 . . . . 74.31 110.959 179.862 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 41' ' ' CYS . . . . . . . . . . . . . 21.0 m -74.9 -29.68 61.07 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 116.253 -0.431 . . . . 73.12 110.901 179.921 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 42' ' ' GLU . . . . . . . . . . . . . 2.7 mt-10 -62.18 -26.04 68.12 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.161 -0.472 . . . . 74.01 110.9 -179.899 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 43' ' ' GLU . . . . . . . . . . . . . 3.1 mm-40 -54.89 -34.99 63.62 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.157 -0.474 . . . . 72.22 110.875 -179.939 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 44' ' ' ALA . . . . . . . . . . . . . . . -52.0 -41.49 62.24 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.17 -0.468 . . . . 73.23 111.089 -179.978 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 45' ' ' ALA . . . . . . . . . . . . . . . -75.19 -22.93 57.68 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.258 -0.428 . . . . 73.45 111.109 179.909 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 46' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -73.85 -48.96 27.38 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.21 -0.45 . . . . 74.32 110.943 179.982 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 47' ' ' LYS . . . . . . . . . . . . . 1.4 mptp? -63.79 -52.66 59.26 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.235 -0.439 . . . . 74.23 110.922 179.77 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 48' ' ' ALA . . . . . . . . . . . . . . . -56.04 -34.13 65.6 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.201 -0.454 . . . . 63.45 111.112 179.835 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 49' ' ' GLU . . . . . . . . . . . . . 2.6 tm-20 -70.58 -42.26 71.3 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.172 -0.467 . . . . 72.22 110.851 -179.867 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 50' ' ' GLU . . . . . . . . . . . . . 35.1 tt0 -72.65 -26.74 61.76 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.117 -0.492 . . . . 72.43 110.918 -179.942 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 51' ' ' LEU . . . . . . . . . . . . . 9.8 mt -72.12 -43.86 64.08 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.149 -0.478 . . . . 73.14 110.922 179.984 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 52' ' ' PHE . . . . . . . . . . . . . 44.8 t80 -57.06 -24.02 50.9 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.254 -0.43 . . . . 71.34 110.866 179.942 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 53' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -72.12 -46.63 55.87 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.236 -0.438 . . . . 75.32 110.902 179.956 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 54' ' ' LEU . . . . . . . . . . . . . 18.7 tp -55.23 -25.35 32.76 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.242 -0.436 . . . . 73.25 110.898 179.88 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 55' ' ' ALA . . . . . . . . . . . . . . . -54.18 -34.49 60.64 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.268 -0.424 . . . . 71.21 111.115 179.767 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 56' ' ' GLU . . . . . . . . . . . . . 34.0 tt0 -55.27 -28.18 51.6 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.166 -0.47 . . . . 70.32 110.844 -179.861 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 57' ' ' GLU . . . . . . . . . . . . . 11.1 tt0 -64.77 -47.05 79.57 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.173 -0.467 . . . . 75.41 110.876 -179.928 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 58' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -77.54 -31.47 53.32 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.092 -0.503 . . . . 72.44 110.846 -179.86 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 59' ' ' LEU . . . . . . . . . . . . . 19.8 tp -73.26 -62.53 1.44 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.179 -0.464 . . . . 74.43 110.874 -179.934 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 60' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -120.95 -77.29 0.58 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.172 -0.467 . . . . 70.52 110.905 179.847 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 61' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -179.51 123.26 0.08 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.231 -0.441 . . . . 74.5 110.919 179.872 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 62' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER . . . . . 0 C--N 1.329 -0.293 0 CA-C-N 116.222 -0.444 . . . . 75.41 110.902 179.896 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 101' ' ' HLT . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 2.8 mmt . . . . . 0 C--O 1.232 0.142 0 CA-C-O 120.81 0.338 . . . . 64.35 110.851 . . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -101.01 143.72 30.81 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.287 -0.415 . . . . 74.4 110.886 179.936 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 4.3 mtmp? -153.46 -55.58 0.11 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.215 -0.448 . . . . 71.25 110.93 179.879 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 3.1 mm? -133.71 12.87 4.06 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.266 -0.424 . . . . 74.11 110.957 179.845 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 2.6 mtp180 -72.34 -47.8 46.82 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.218 -0.447 . . . . 75.31 110.829 -179.958 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 12.5 pt-20 -53.84 -31.17 48.41 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.185 -0.461 . . . . 65.03 110.861 -179.927 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 12.1 mm-40 -53.76 -36.94 62.9 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.146 -0.479 . . . . 75.34 110.945 -179.946 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -65.97 -26.77 67.71 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.069 -0.514 . . . . 73.13 111.086 179.959 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -74.15 -28.98 61.57 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.195 -0.457 . . . . 64.02 111.077 179.902 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -75.95 -32.78 59.68 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.284 -0.416 . . . . 75.54 110.885 179.998 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 47.6 mt -51.64 -49.15 62.84 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.23 -0.441 . . . . 73.4 110.97 179.883 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 21.6 m-85 -74.27 -22.02 59.49 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.14 -0.482 . . . . 74.22 110.879 179.936 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 19.5 tt0 -59.5 -37.34 78.03 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.181 -0.463 . . . . 74.43 110.884 -179.969 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 9.4 mt-10 -75.0 -34.1 61.9 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.16 -0.473 . . . . 64.42 110.921 -179.921 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 15' ' ' TRP . . . . . . . . . . . . . 19.8 m0 -53.82 -51.77 62.48 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.139 -0.482 . . . . 72.34 110.926 179.975 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -71.84 -30.57 65.61 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.223 -0.444 . . . . 74.32 110.891 179.971 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 1.8 tttm -64.72 -51.21 63.59 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.219 -0.446 . . . . 73.32 110.961 179.852 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 3.2 mt -56.16 -24.98 44.73 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.187 -0.46 . . . . 74.05 110.951 179.828 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -73.35 -29.42 62.65 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.182 -0.463 . . . . 65.34 111.112 179.802 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 32.7 mt-10 -73.2 -50.02 24.76 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.176 -0.465 . . . . 74.52 110.881 -179.92 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 11.2 pt-20 -56.56 -46.51 80.68 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.163 -0.472 . . . . 74.14 110.847 -179.938 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -64.19 -33.0 74.8 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.158 -0.474 . . . . 74.11 111.136 179.956 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -70.85 -49.75 42.8 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.207 -0.452 . . . . 73.31 111.067 179.946 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 9.4 ptpt -64.51 -36.66 84.91 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.225 -0.443 . . . . 75.42 110.868 179.973 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 11.3 mt -76.76 -38.62 53.81 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.221 -0.445 . . . . 73.12 110.903 179.991 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 2.8 mt -50.23 -46.24 54.6 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.252 -0.431 . . . . 72.45 110.961 179.786 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 24.0 tp10 -88.93 -12.0 42.88 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.19 -0.459 . . . . 73.34 110.835 179.946 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . 66.12 20.9 69.48 Favored Glycine 0 N--CA 1.453 -0.197 0 C-N-CA 120.669 -0.777 . . . . 70.01 112.477 -179.961 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . -136.14 -54.66 0.06 OUTLIER Glycine 0 N--CA 1.45 -0.37 0 C-N-CA 120.795 -0.717 . . . . 75.52 112.509 -179.909 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . 134.42 98.33 0.6 Allowed Glycine 0 N--CA 1.45 -0.382 0 C-N-CA 120.828 -0.701 . . . . 63.45 112.512 -179.93 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . 128.85 -24.63 4.81 Favored Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 120.718 -0.753 . . . . 75.24 112.536 -179.807 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . 98.94 -179.0 31.14 Favored Glycine 0 N--CA 1.451 -0.31 0 C-N-CA 120.734 -0.746 . . . . 73.51 112.481 -179.856 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -69.58 -23.63 76.56 Favored Glycine 0 N--CA 1.451 -0.355 0 C-N-CA 120.804 -0.712 . . . . 53.34 112.428 -179.891 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 72.95 77.97 0.56 Allowed Glycine 0 N--CA 1.45 -0.385 0 C-N-CA 120.73 -0.748 . . . . 53.1 112.508 -179.865 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . -179.99 -155.87 16.51 Favored Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.75 -0.738 . . . . 64.41 112.516 -179.87 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 7.8 mt-10 -66.87 -53.11 35.58 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.905 0.384 . . . . 72.23 110.929 -179.897 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -52.48 -54.62 30.04 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.144 -0.48 . . . . 75.3 110.906 -179.995 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 38' ' ' MET . . . . . . . . . . . . . 0.8 OUTLIER -59.19 -31.58 69.15 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.186 -0.461 . . . . 71.11 110.878 179.846 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -54.04 -29.66 44.72 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.192 -0.458 . . . . 75.12 110.908 -179.981 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 43.8 mt -71.44 -33.76 69.66 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.149 -0.478 . . . . 75.22 110.95 179.927 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 41' ' ' CYS . . . . . . . . . . . . . 25.9 m -74.82 -31.52 61.71 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.13 -0.486 . . . . 72.44 110.879 179.91 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 37.2 tt0 -71.28 -26.13 62.75 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.22 -0.445 . . . . 62.52 110.881 -179.87 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 3.3 mm-40 -55.08 -31.23 61.01 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.142 -0.481 . . . . 70.42 110.933 -179.946 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -51.81 -42.52 62.55 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.125 -0.489 . . . . 74.45 111.107 179.912 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -75.19 -23.02 57.61 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.214 -0.448 . . . . 63.23 111.095 179.931 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -72.82 -47.9 42.43 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.234 -0.439 . . . . 75.43 110.874 179.962 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -74.13 -48.37 29.86 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.247 -0.433 . . . . 72.52 110.855 179.955 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -52.23 -49.33 64.21 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.251 -0.431 . . . . 74.41 111.037 179.847 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 53.1 tp10 -54.68 -32.93 60.1 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.208 -0.451 . . . . 75.34 110.866 -179.929 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -70.31 -26.5 63.81 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.13 -0.486 . . . . 71.34 110.879 -179.909 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 12.2 mt -71.58 -46.89 58.05 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.187 -0.46 . . . . 75.52 110.922 179.972 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 52' ' ' PHE . . . . . . . . . . . . . 52.0 t80 -57.0 -23.97 50.16 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.17 -0.468 . . . . 72.42 110.84 179.964 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -51.92 -52.26 51.28 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.254 -0.43 . . . . 73.44 110.907 -179.99 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 54' ' ' LEU . . . . . . . . . . . . . 4.3 mm? -60.52 -36.73 79.08 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.187 -0.461 . . . . 73.12 110.892 179.926 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -56.07 -27.73 54.72 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.222 -0.445 . . . . 74.21 111.086 179.811 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 51.7 tt0 -77.25 -24.46 51.13 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.232 -0.44 . . . . 54.42 110.83 -179.895 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 11.7 tp10 -68.87 -48.78 62.55 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.191 -0.459 . . . . 74.54 110.913 -179.966 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -78.0 -30.39 50.05 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.166 -0.47 . . . . 72.2 110.938 -179.971 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 59' ' ' LEU . . . . . . . . . . . . . 15.9 tp -73.65 -62.39 1.5 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.109 -0.496 . . . . 74.0 110.945 -179.976 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -123.13 -175.55 3.21 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.133 -0.485 . . . . 75.12 110.876 179.822 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 5.3 tttt -83.49 78.55 9.64 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.187 -0.461 . . . . 73.43 110.953 179.835 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 5.1 tt . . . . . 0 C--N 1.329 -0.319 0 CA-C-N 116.199 -0.455 . . . . 74.43 110.899 179.938 . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' B' B ' 1' ' ' MET . . . . . . . . . . . . . 2.7 mmt . . . . . 0 C--O 1.232 0.176 0 CA-C-O 120.815 0.34 . . . . 70.43 110.847 . . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' B' B ' 2' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -100.53 143.24 30.94 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.251 -0.431 . . . . 75.33 110.904 179.946 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 3' ' ' LYS . . . . . . . . . . . . . 4.3 mtmp? -152.46 -56.41 0.13 Allowed 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.253 -0.431 . . . . 73.23 110.871 179.907 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 4' ' ' LEU . . . . . . . . . . . . . 3.1 mm? -133.85 12.3 4.0 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.249 -0.432 . . . . 74.34 110.898 179.972 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 5' ' ' ARG . . . . . . . . . . . . . 2.3 mtp180 -72.32 -48.04 45.19 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.202 -0.454 . . . . 65.11 110.868 179.975 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 6' ' ' GLU . . . . . . . . . . . . . 14.4 pt-20 -52.88 -28.95 25.46 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.235 -0.439 . . . . 75.14 110.943 -179.964 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 7' ' ' GLU . . . . . . . . . . . . . 12.1 mm-40 -54.24 -32.83 56.98 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.113 -0.494 . . . . 73.44 110.914 -179.957 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 8' ' ' ALA . . . . . . . . . . . . . . . -70.35 -26.72 63.87 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.139 -0.482 . . . . 73.24 111.14 179.881 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 9' ' ' ALA . . . . . . . . . . . . . . . -69.2 -31.02 69.33 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.198 -0.455 . . . . 72.3 111.121 179.916 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 10' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -75.48 -33.9 60.85 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.204 -0.453 . . . . 73.23 110.843 -179.974 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 11' ' ' LEU . . . . . . . . . . . . . 45.4 mt -52.05 -46.78 65.21 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.27 -0.423 . . . . 73.24 110.863 179.92 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 12' ' ' PHE . . . . . . . . . . . . . 20.6 m-85 -72.9 -21.95 60.82 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.213 -0.449 . . . . 74.14 110.896 179.95 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 13' ' ' GLU . . . . . . . . . . . . . 19.4 tt0 -58.97 -36.75 75.38 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.111 -0.495 . . . . 62.43 110.877 -179.906 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 14' ' ' GLU . . . . . . . . . . . . . 9.1 mt-10 -75.1 -34.24 61.7 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.169 -0.469 . . . . 75.31 110.914 -179.956 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 15' ' ' TRP . . . . . . . . . . . . . 22.6 m0 -54.01 -50.44 66.62 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.115 -0.493 . . . . 73.35 110.928 -179.942 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 16' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -71.43 -30.9 66.6 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.216 -0.447 . . . . 72.05 110.887 179.946 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 17' ' ' LYS . . . . . . . . . . . . . 1.8 tttm -65.5 -50.92 63.51 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.218 -0.446 . . . . 73.11 110.886 179.883 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 18' ' ' LEU . . . . . . . . . . . . . 3.1 mt -56.07 -24.99 43.34 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.244 -0.435 . . . . 73.43 110.919 179.884 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 19' ' ' ALA . . . . . . . . . . . . . . . -73.46 -29.42 62.53 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.174 -0.467 . . . . 74.31 111.146 179.763 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 20' ' ' GLU . . . . . . . . . . . . . 32.5 mt-10 -73.2 -49.93 25.28 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.184 -0.462 . . . . 72.21 110.871 -179.907 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 21' ' ' GLU . . . . . . . . . . . . . 11.2 pt-20 -56.67 -46.3 81.2 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.18 -0.464 . . . . 75.04 110.889 -179.903 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 22' ' ' ALA . . . . . . . . . . . . . . . -64.35 -33.02 74.89 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.223 -0.444 . . . . 65.21 111.077 179.923 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 23' ' ' ALA . . . . . . . . . . . . . . . -70.91 -49.55 44.55 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.18 -0.464 . . . . 61.13 111.082 179.964 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 24' ' ' LYS . . . . . . . . . . . . . 9.3 ptpt -64.61 -36.7 85.09 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.236 -0.438 . . . . 74.01 110.911 179.97 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 25' ' ' LEU . . . . . . . . . . . . . 11.4 mt -76.66 -38.67 54.17 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.193 -0.458 . . . . 74.33 110.894 179.91 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 26' ' ' LEU . . . . . . . . . . . . . 2.8 mt -50.35 -46.02 55.52 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.25 -0.432 . . . . 72.04 110.93 179.928 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 27' ' ' GLU . . . . . . . . . . . . . 24.1 tp10 -89.18 -12.11 41.86 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.189 -0.46 . . . . 73.24 110.866 179.926 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 28' ' ' GLY . . . . . . . . . . . . . . . 66.15 21.92 70.37 Favored Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.784 -0.722 . . . . 62.34 112.408 179.973 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 29' ' ' GLY . . . . . . . . . . . . . . . -135.76 -54.14 0.06 OUTLIER Glycine 0 N--CA 1.451 -0.33 0 C-N-CA 120.722 -0.752 . . . . 44.42 112.542 -179.963 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 30' ' ' GLY . . . . . . . . . . . . . . . 134.99 98.21 0.57 Allowed Glycine 0 N--CA 1.451 -0.309 0 C-N-CA 120.706 -0.759 . . . . 64.42 112.488 -179.948 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 31' ' ' GLY . . . . . . . . . . . . . . . 128.54 -24.01 5.0 Favored Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.758 -0.734 . . . . 42.13 112.472 -179.915 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 32' ' ' GLY . . . . . . . . . . . . . . . 99.42 -179.57 30.74 Favored Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.766 -0.731 . . . . 73.41 112.422 -179.964 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 33' ' ' GLY . . . . . . . . . . . . . . . -69.67 -23.17 76.85 Favored Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 120.661 -0.78 . . . . 53.11 112.49 -179.921 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 34' ' ' GLY . . . . . . . . . . . . . . . 72.63 77.46 0.57 Allowed Glycine 0 N--CA 1.451 -0.35 0 C-N-CA 120.787 -0.721 . . . . 70.13 112.466 -179.92 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 35' ' ' GLY . . . . . . . . . . . . . . . 179.6 -154.51 13.85 Favored Glycine 0 N--CA 1.452 -0.299 0 C-N-CA 120.668 -0.777 . . . . 70.14 112.471 -179.908 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 36' ' ' GLU . . . . . . . . . . . . . 7.5 mt-10 -66.14 -51.66 55.77 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.875 0.369 . . . . 75.0 110.849 -179.824 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 37' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -51.82 -55.2 21.33 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.113 -0.494 . . . . 74.5 110.906 -179.931 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 38' ' ' MET . . . . . . . . . . . . . 0.8 OUTLIER -59.75 -32.1 70.26 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.147 -0.479 . . . . 72.11 110.867 179.818 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 39' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -54.61 -29.44 51.78 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.194 -0.457 . . . . 75.02 110.895 -179.988 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 40' ' ' LEU . . . . . . . . . . . . . 45.8 mt -70.66 -34.17 71.74 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.234 -0.439 . . . . 73.35 110.904 179.865 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 41' ' ' CYS . . . . . . . . . . . . . 26.1 m -75.07 -33.54 61.69 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.205 -0.452 . . . . 52.31 110.909 179.965 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 42' ' ' GLU . . . . . . . . . . . . . 37.5 tt0 -73.05 -25.92 61.1 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 116.113 -0.494 . . . . 72.53 110.858 -179.878 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 43' ' ' GLU . . . . . . . . . . . . . 3.3 mm-40 -55.04 -31.65 61.27 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.219 -0.446 . . . . 75.51 110.91 -179.908 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 44' ' ' ALA . . . . . . . . . . . . . . . -51.89 -42.72 62.93 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.148 -0.478 . . . . 73.4 111.124 179.895 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 45' ' ' ALA . . . . . . . . . . . . . . . -75.1 -22.9 57.94 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.247 -0.433 . . . . 63.33 111.128 179.911 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 46' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -71.55 -47.49 54.71 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.212 -0.449 . . . . 64.51 110.858 -179.995 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 47' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -73.49 -50.55 20.94 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.268 -0.424 . . . . 73.12 110.95 179.851 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 48' ' ' ALA . . . . . . . . . . . . . . . -53.09 -48.93 67.38 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.223 -0.444 . . . . 72.14 111.052 179.822 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 49' ' ' GLU . . . . . . . . . . . . . 53.2 tp10 -54.41 -32.37 57.12 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.241 -0.436 . . . . 73.35 110.893 -179.89 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 50' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -69.88 -28.96 66.07 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.112 -0.494 . . . . 73.13 110.855 -179.93 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 51' ' ' LEU . . . . . . . . . . . . . 11.8 mt -73.08 -50.95 19.99 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.131 -0.486 . . . . 75.04 110.916 -179.931 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 52' ' ' PHE . . . . . . . . . . . . . 53.7 t80 -60.36 -23.91 64.66 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.192 -0.458 . . . . 74.24 110.877 179.92 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 53' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -54.28 -59.22 4.96 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.155 -0.475 . . . . 73.44 110.854 -179.971 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 54' ' ' LEU . . . . . . . . . . . . . 4.5 mm? -75.05 -42.51 56.9 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.219 -0.446 . . . . 75.13 110.887 179.999 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 55' ' ' ALA . . . . . . . . . . . . . . . -55.69 -29.28 59.12 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.292 -0.413 . . . . 75.22 111.076 179.771 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 56' ' ' GLU . . . . . . . . . . . . . 52.4 tt0 -77.24 -24.45 51.18 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.229 -0.441 . . . . 71.13 110.874 -179.931 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 57' ' ' GLU . . . . . . . . . . . . . 11.4 tp10 -64.63 -48.45 74.8 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.164 -0.471 . . . . 71.12 110.893 -179.96 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 58' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -77.79 -31.11 51.67 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.195 -0.457 . . . . 73.13 110.891 -179.929 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 59' ' ' LEU . . . . . . . . . . . . . 3.8 mp -71.77 -59.05 2.95 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.14 -0.482 . . . . 74.44 110.873 -179.993 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 60' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -127.73 -178.98 4.7 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.267 -0.424 . . . . 73.35 110.934 179.833 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 61' ' ' LYS . . . . . . . . . . . . . 5.4 tttt -85.85 79.28 9.31 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.26 -0.427 . . . . 70.04 110.941 179.865 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 62' ' ' LEU . . . . . . . . . . . . . 4.8 tt . . . . . 0 C--N 1.328 -0.331 0 CA-C-N 116.185 -0.461 . . . . 75.52 110.877 179.981 . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' A' A ' 101' ' ' HLT . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.231 0.13 0 CA-C-O 120.822 0.344 . . . . 72.11 110.884 . . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 63.15 162.26 0.1 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.257 -0.428 . . . . 74.2 110.898 179.94 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 15.0 ttpt -141.51 -42.54 0.36 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.268 -0.424 . . . . 73.35 110.945 179.844 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 3.8 mm? -70.99 -33.83 70.79 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.222 -0.444 . . . . 74.14 110.966 179.883 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 5.4 mtt-85 -72.02 -40.54 68.39 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 116.18 -0.464 . . . . 65.54 110.903 179.94 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 4.9 tt0 -52.99 -27.59 19.9 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.164 -0.471 . . . . 72.13 110.861 -179.969 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 67.0 mt-10 -55.19 -28.39 52.63 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.184 -0.462 . . . . 71.0 110.878 -179.909 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -76.12 -26.53 56.46 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.199 -0.455 . . . . 74.24 111.085 179.918 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -75.97 -26.95 57.28 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.265 -0.425 . . . . 72.25 111.106 179.888 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 19.3 mtpt -68.73 -54.57 15.29 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.217 -0.447 . . . . 62.12 110.871 -179.987 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 1.6 pp -57.31 -44.75 84.41 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.235 -0.438 . . . . 74.25 110.899 179.94 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 9.1 m-85 -65.57 -20.19 66.23 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.251 -0.432 . . . . 74.34 110.915 179.922 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -65.16 -38.99 92.31 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.141 -0.481 . . . . 74.1 110.909 -179.93 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 4.3 mt-10 -75.47 -28.83 59.41 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.178 -0.465 . . . . 74.12 110.823 -179.885 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 15' ' ' TRP . . . . . . . . . . . . . 1.0 OUTLIER -63.0 -47.3 83.7 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.136 -0.484 . . . . 73.41 110.93 -179.975 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 2.8 ttpt -77.24 -25.13 51.24 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.246 -0.434 . . . . 71.11 110.931 179.888 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 1.7 mmmt -73.13 -53.93 9.78 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.189 -0.46 . . . . 75.11 110.892 179.852 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 77.2 mt -54.77 -32.75 60.42 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.154 -0.475 . . . . 74.22 110.932 179.926 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -68.56 -26.34 65.36 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.192 -0.458 . . . . 74.24 111.072 179.804 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 1.7 mt-10 -73.3 -49.28 28.4 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.255 -0.429 . . . . 70.54 110.871 -179.889 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 3.3 mm-40 -73.2 -50.14 24.14 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.215 -0.448 . . . . 74.22 110.889 -179.973 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -56.64 -22.6 35.4 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.146 -0.479 . . . . 73.4 111.136 179.936 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -76.06 -54.75 6.37 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.175 -0.466 . . . . 70.35 111.083 179.949 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -66.27 -30.14 70.51 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.269 -0.423 . . . . 70.42 110.912 179.933 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 5.4 mt -77.64 -42.21 35.63 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.245 -0.434 . . . . 74.32 110.907 179.894 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 4.8 mt -50.5 -49.76 54.67 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.153 -0.476 . . . . 74.42 110.88 179.949 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 18.4 mt-10 -90.69 12.15 19.99 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.188 -0.46 . . . . 72.43 110.913 179.934 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . -59.58 -14.32 27.9 Favored Glycine 0 N--CA 1.45 -0.375 0 C-N-CA 120.686 -0.769 . . . . 55.12 112.545 -179.992 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . 136.1 47.35 0.08 OUTLIER Glycine 0 N--CA 1.451 -0.357 0 C-N-CA 120.697 -0.763 . . . . 54.24 112.471 -179.909 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . 152.13 86.25 0.05 OUTLIER Glycine 0 N--CA 1.451 -0.337 0 C-N-CA 120.708 -0.758 . . . . 53.15 112.441 -179.936 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . 145.13 40.55 0.05 OUTLIER Glycine 0 N--CA 1.452 -0.279 0 C-N-CA 120.724 -0.751 . . . . 71.42 112.458 -179.954 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . -161.91 174.2 38.35 Favored Glycine 0 N--CA 1.451 -0.342 0 C-N-CA 120.772 -0.728 . . . . 61.14 112.487 -179.953 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -161.14 50.38 0.35 Allowed Glycine 0 N--CA 1.451 -0.323 0 C-N-CA 120.733 -0.746 . . . . 55.44 112.558 -179.924 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 132.19 -135.16 7.99 Favored Glycine 0 N--CA 1.451 -0.34 0 C-N-CA 120.754 -0.736 . . . . 51.34 112.496 -179.89 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . -130.13 -63.82 0.1 Allowed Glycine 0 N--CA 1.451 -0.34 0 C-N-CA 120.7 -0.762 . . . . 63.53 112.481 -179.852 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 23.6 tt0 -52.0 -35.04 45.35 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-O 120.915 0.388 . . . . 70.32 110.939 -179.919 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 7.1 tp -57.0 -47.67 80.3 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.142 -0.481 . . . . 75.23 110.902 179.978 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 38' ' ' MET . . . . . . . . . . . . . 0.1 OUTLIER -70.54 -27.22 63.99 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.207 -0.451 . . . . 73.41 110.924 179.852 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -53.81 -27.87 31.87 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.2 -0.455 . . . . 70.03 110.922 179.898 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 2.1 mt -54.89 -61.0 2.6 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.202 -0.454 . . . . 71.23 110.919 179.941 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 41' ' ' CYS . . . . . . . . . . . . . 20.2 p -68.01 -27.01 66.19 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.218 -0.446 . . . . 74.04 110.857 179.948 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 29.4 tt0 -58.51 -25.25 62.2 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.17 -0.468 . . . . 75.33 110.882 -179.856 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 1.4 mm-40 -54.68 -27.7 42.1 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.104 -0.498 . . . . 63.3 110.903 -179.929 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -51.82 -46.31 64.24 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.187 -0.46 . . . . 73.4 111.123 179.932 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -72.82 -22.82 60.75 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.246 -0.434 . . . . 74.53 111.01 179.945 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -77.07 -53.11 8.2 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.223 -0.444 . . . . 74.43 110.925 179.969 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -68.04 -51.13 50.32 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.235 -0.439 . . . . 71.12 110.878 179.89 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -51.82 -44.58 63.58 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.325 -0.398 . . . . 64.01 111.148 179.797 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 41.5 tt0 -77.23 -30.89 54.77 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.186 -0.461 . . . . 64.21 110.869 -179.906 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 1.3 mm-40 -65.94 -51.34 59.36 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.177 -0.465 . . . . 71.11 110.861 -179.976 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 3.6 pp -70.0 -40.42 75.29 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.154 -0.476 . . . . 73.01 110.96 -179.918 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 52' ' ' PHE . . . . . . . . . . . . . 34.8 t80 -69.54 -23.82 63.63 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.147 -0.479 . . . . 74.32 110.922 179.846 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -64.68 -59.0 4.77 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.146 -0.479 . . . . 74.42 110.947 179.944 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 54' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -75.23 -23.59 57.58 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.12 -0.491 . . . . 74.24 110.931 179.936 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -56.18 -37.03 69.04 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.133 -0.485 . . . . 62.53 111.107 179.818 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 13.9 mt-10 -53.01 -32.84 48.8 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.223 -0.444 . . . . 74.23 110.876 -179.922 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 2.0 tm-20 -60.32 -50.99 71.42 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.094 -0.503 . . . . 74.44 110.898 -179.938 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -78.22 -22.3 48.72 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.145 -0.48 . . . . 73.45 110.886 -179.943 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 59' ' ' LEU . . . . . . . . . . . . . 39.2 mt -82.98 -76.72 0.26 Allowed 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.151 -0.477 . . . . 73.54 110.89 -179.903 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -102.36 -175.68 2.89 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.23 -0.441 . . . . 62.42 110.896 179.787 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -101.83 -26.99 13.26 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.221 -0.445 . . . . 73.13 110.835 179.92 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 1.7 mt . . . . . 0 C--N 1.328 -0.356 0 CA-C-N 116.226 -0.443 . . . . 74.22 110.906 179.896 . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' B' B ' 1' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.458 -0.074 0 CA-C-O 120.873 0.368 . . . . 74.11 110.914 . . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 2' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 63.09 162.21 0.1 Allowed 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.161 -0.472 . . . . 72.42 110.883 179.929 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 3' ' ' LYS . . . . . . . . . . . . . 15.0 ttpt -141.67 -42.35 0.36 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.232 -0.44 . . . . 73.4 110.837 179.871 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 4' ' ' LEU . . . . . . . . . . . . . 3.8 mm? -71.27 -33.05 69.42 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.211 -0.449 . . . . 74.52 110.944 179.907 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 5' ' ' ARG . . . . . . . . . . . . . 5.3 mtt-85 -71.88 -40.69 68.74 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.236 -0.438 . . . . 73.11 110.888 179.906 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 6' ' ' GLU . . . . . . . . . . . . . 4.9 tt0 -53.43 -26.71 21.14 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.19 -0.459 . . . . 71.32 110.904 -179.948 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 7' ' ' GLU . . . . . . . . . . . . . 67.1 mt-10 -55.02 -28.15 49.89 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.168 -0.469 . . . . 75.33 110.913 -179.918 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 8' ' ' ALA . . . . . . . . . . . . . . . -75.76 -26.62 57.55 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.142 -0.481 . . . . 72.01 111.143 179.897 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 9' ' ' ALA . . . . . . . . . . . . . . . -77.22 -26.02 52.27 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.196 -0.456 . . . . 62.11 111.125 179.922 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 10' ' ' LYS . . . . . . . . . . . . . 19.5 mtpt -68.06 -54.09 20.85 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.224 -0.444 . . . . 62.35 110.893 179.952 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 11' ' ' LEU . . . . . . . . . . . . . 1.5 pp -55.89 -44.33 78.07 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.253 -0.431 . . . . 74.02 110.871 179.949 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 12' ' ' PHE . . . . . . . . . . . . . 14.2 m-85 -67.12 -20.54 65.79 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.227 -0.442 . . . . 73.32 110.915 179.951 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 13' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -61.99 -26.06 68.0 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.111 -0.495 . . . . 74.04 110.869 -179.887 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 14' ' ' GLU . . . . . . . . . . . . . 5.1 mt-10 -72.42 -34.45 67.85 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.18 -0.464 . . . . 75.44 110.895 -179.888 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 15' ' ' TRP . . . . . . . . . . . . . 5.6 t90 -66.88 -43.39 83.61 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.114 -0.493 . . . . 75.42 110.912 179.973 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 16' ' ' LYS . . . . . . . . . . . . . 3.0 ttpt -77.53 -30.31 52.78 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.303 -0.408 . . . . 62.44 110.947 179.891 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 17' ' ' LYS . . . . . . . . . . . . . 2.5 mmmt -75.3 -58.14 3.47 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.212 -0.449 . . . . 73.41 110.887 179.822 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 18' ' ' LEU . . . . . . . . . . . . . 89.3 mt -54.55 -31.95 57.41 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.223 -0.444 . . . . 73.45 110.896 179.962 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 19' ' ' ALA . . . . . . . . . . . . . . . -66.14 -28.08 68.52 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.183 -0.462 . . . . 73.44 111.138 179.761 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 20' ' ' GLU . . . . . . . . . . . . . 1.6 mt-10 -73.57 -49.26 27.23 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.198 -0.455 . . . . 73.14 110.867 -179.895 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 21' ' ' GLU . . . . . . . . . . . . . 3.3 mm-40 -72.87 -51.3 19.26 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.102 -0.499 . . . . 74.14 110.889 -179.947 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 22' ' ' ALA . . . . . . . . . . . . . . . -55.59 -22.76 23.65 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.193 -0.458 . . . . 72.15 111.118 179.907 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 23' ' ' ALA . . . . . . . . . . . . . . . -76.2 -54.56 6.62 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.182 -0.463 . . . . 71.34 111.095 179.964 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 24' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -66.75 -29.92 70.01 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.228 -0.442 . . . . 72.31 110.91 179.928 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 25' ' ' LEU . . . . . . . . . . . . . 5.0 mt -77.69 -42.35 34.84 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.252 -0.431 . . . . 75.42 110.98 179.912 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 26' ' ' LEU . . . . . . . . . . . . . 5.3 mt -50.44 -50.12 53.06 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.12 -0.491 . . . . 73.11 110.912 179.849 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 27' ' ' GLU . . . . . . . . . . . . . 18.1 mt-10 -90.71 12.21 19.82 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.169 -0.469 . . . . 72.32 110.892 179.958 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 28' ' ' GLY . . . . . . . . . . . . . . . -59.29 -14.57 26.97 Favored Glycine 0 N--CA 1.451 -0.331 0 C-N-CA 120.708 -0.758 . . . . 74.22 112.541 179.998 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 29' ' ' GLY . . . . . . . . . . . . . . . 135.31 46.12 0.09 OUTLIER Glycine 0 N--CA 1.451 -0.364 0 C-N-CA 120.801 -0.714 . . . . 71.43 112.551 -179.883 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 30' ' ' GLY . . . . . . . . . . . . . . . 150.76 88.57 0.07 OUTLIER Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 120.707 -0.759 . . . . 74.12 112.48 -179.906 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 31' ' ' GLY . . . . . . . . . . . . . . . 146.58 40.97 0.04 OUTLIER Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.72 -0.752 . . . . 75.23 112.486 -179.943 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 32' ' ' GLY . . . . . . . . . . . . . . . -161.95 173.09 38.24 Favored Glycine 0 N--CA 1.451 -0.338 0 C-N-CA 120.818 -0.706 . . . . 73.23 112.555 -179.981 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 33' ' ' GLY . . . . . . . . . . . . . . . -161.96 49.71 0.34 Allowed Glycine 0 N--CA 1.451 -0.358 0 C-N-CA 120.733 -0.746 . . . . 74.34 112.455 -179.842 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 34' ' ' GLY . . . . . . . . . . . . . . . 131.71 -135.19 8.04 Favored Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 120.755 -0.736 . . . . 64.31 112.462 -179.958 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 35' ' ' GLY . . . . . . . . . . . . . . . -130.22 -64.67 0.1 Allowed Glycine 0 N--CA 1.45 -0.388 0 C-N-CA 120.745 -0.741 . . . . 72.34 112.505 -179.945 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 36' ' ' GLU . . . . . . . . . . . . . 23.5 tt0 -52.82 -35.87 57.72 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.892 0.377 . . . . 71.24 110.886 -179.869 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 37' ' ' LEU . . . . . . . . . . . . . 7.2 tp -57.37 -47.99 80.19 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.156 -0.474 . . . . 75.33 110.91 179.941 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 38' ' ' MET . . . . . . . . . . . . . 0.1 OUTLIER -70.38 -26.64 63.8 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.187 -0.46 . . . . 74.14 110.827 179.914 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 39' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -54.0 -27.68 33.31 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.267 -0.424 . . . . 72.53 110.89 179.965 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 40' ' ' LEU . . . . . . . . . . . . . 2.1 mt -54.01 -61.13 2.5 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.244 -0.434 . . . . 70.12 110.886 179.917 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 41' ' ' CYS . . . . . . . . . . . . . 29.3 p -70.24 -28.4 65.22 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.191 -0.458 . . . . 64.4 110.839 179.997 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 42' ' ' GLU . . . . . . . . . . . . . 29.6 tt0 -60.45 -25.52 66.06 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.194 -0.457 . . . . 73.4 110.861 -179.822 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 43' ' ' GLU . . . . . . . . . . . . . 1.4 mm-40 -54.97 -26.02 33.8 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.184 -0.462 . . . . 64.31 110.833 -179.937 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 44' ' ' ALA . . . . . . . . . . . . . . . -51.75 -47.5 64.06 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.165 -0.47 . . . . 74.53 111.1 179.955 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 45' ' ' ALA . . . . . . . . . . . . . . . -71.85 -22.86 61.47 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.155 -0.475 . . . . 64.1 111.133 179.918 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 46' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -76.49 -52.75 9.2 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.225 -0.443 . . . . 65.3 110.923 179.935 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 47' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -68.45 -48.49 64.4 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.248 -0.433 . . . . 75.22 110.873 179.86 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 48' ' ' ALA . . . . . . . . . . . . . . . -51.89 -46.47 64.56 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.186 -0.461 . . . . 65.32 111.045 179.876 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 49' ' ' GLU . . . . . . . . . . . . . 42.2 tt0 -77.23 -30.6 54.63 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.238 -0.437 . . . . 62.53 110.852 -179.883 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 50' ' ' GLU . . . . . . . . . . . . . 1.2 mm-40 -64.83 -51.26 63.05 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.226 -0.443 . . . . 71.52 110.871 -179.945 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 51' ' ' LEU . . . . . . . . . . . . . 3.6 pp -71.67 -40.31 69.7 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.158 -0.474 . . . . 72.31 110.93 179.989 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 52' ' ' PHE . . . . . . . . . . . . . 32.3 t80 -69.06 -23.82 64.09 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.261 -0.427 . . . . 74.13 110.893 179.916 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 53' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -62.02 -57.01 13.26 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.158 -0.474 . . . . 73.15 110.937 179.927 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 54' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -75.06 -23.71 58.12 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.207 -0.451 . . . . 75.13 110.928 179.891 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 55' ' ' ALA . . . . . . . . . . . . . . . -57.7 -36.48 72.04 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.177 -0.465 . . . . 63.35 111.089 179.811 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 56' ' ' GLU . . . . . . . . . . . . . 14.1 mt-10 -52.97 -33.26 50.47 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.234 -0.439 . . . . 75.21 110.909 -179.908 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 57' ' ' GLU . . . . . . . . . . . . . 2.0 tm-20 -60.38 -50.36 73.92 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.062 -0.517 . . . . 75.43 110.876 -179.898 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 58' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -78.26 -22.65 48.01 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.168 -0.469 . . . . 74.4 110.824 -179.875 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 59' ' ' LEU . . . . . . . . . . . . . 36.1 mt -83.04 -76.61 0.27 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.221 -0.445 . . . . 63.12 110.919 -179.983 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 60' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -102.32 -175.79 2.93 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.24 -0.437 . . . . 71.35 110.927 179.852 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 61' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -101.92 -26.78 13.31 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.298 -0.41 . . . . 74.41 110.87 179.948 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 62' ' ' LEU . . . . . . . . . . . . . 1.7 mt . . . . . 0 C--N 1.329 -0.315 0 CA-C-N 116.211 -0.449 . . . . 73.45 110.872 179.877 . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' A' A ' 101' ' ' HLT . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 1.4 ttp . . . . . 0 C--O 1.23 0.06 0 CA-C-O 120.859 0.361 . . . . 65.3 110.864 . . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 6.1 pttm -52.1 148.3 6.4 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.176 -0.465 . . . . 73.53 110.909 179.983 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -178.4 -39.65 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.198 -0.455 . . . . 73.24 110.941 179.906 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 4.4 mm? -78.4 -32.94 49.02 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.191 -0.459 . . . . 74.44 110.865 179.929 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -71.72 -35.73 70.28 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.186 -0.461 . . . . 74.0 110.863 179.989 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -54.31 -27.78 37.9 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.195 -0.457 . . . . 72.21 110.813 -179.919 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -53.92 -51.81 62.57 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.199 -0.455 . . . . 75.5 110.85 -179.9 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -52.97 -28.13 22.35 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.251 -0.432 . . . . 71.35 111.102 179.889 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -67.95 -39.21 83.44 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.187 -0.461 . . . . 63.04 111.103 179.968 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -74.97 -31.87 61.55 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.194 -0.457 . . . . 73.41 110.882 179.961 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 63.1 mt -51.87 -47.29 64.57 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.265 -0.425 . . . . 70.0 110.948 179.954 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 23.0 m-85 -74.17 -23.37 59.23 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.169 -0.469 . . . . 71.1 110.871 179.95 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 13' ' ' GLU . . . . . 0.6 ' HE2' ' HD3' ' A' ' 17' ' ' LYS . 4.2 tm-20 -61.01 -35.91 78.09 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.095 -0.502 . . . . 74.43 110.918 -179.933 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 4.3 mt-10 -74.81 -30.4 61.4 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.158 -0.474 . . . . 74.31 110.917 -179.93 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 15' ' ' TRP . . . . . . . . . . . . . 20.4 m0 -60.04 -52.8 63.84 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.161 -0.472 . . . . 71.0 110.863 -179.995 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 7.2 tttp -68.8 -28.93 67.2 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.269 -0.423 . . . . 74.53 110.874 179.989 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 17' ' ' LYS . . . . . 0.6 ' HD3' ' HE2' ' A' ' 13' ' ' GLU . 0.0 OUTLIER -68.09 -57.6 5.84 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.236 -0.438 . . . . 70.31 110.926 179.847 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 3.6 mt -54.93 -44.97 74.75 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.208 -0.451 . . . . 73.3 110.912 179.902 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -61.71 -34.28 75.51 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.185 -0.461 . . . . 73.21 111.076 179.831 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -57.88 -49.29 77.23 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.189 -0.46 . . . . 52.14 110.904 -179.939 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 32.6 mt-10 -74.03 -48.85 27.21 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.205 -0.452 . . . . 62.4 110.83 -179.915 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -56.38 -31.01 63.43 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.261 -0.427 . . . . 73.12 111.081 179.941 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -71.02 -54.26 11.86 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.235 -0.439 . . . . 74.35 111.139 179.893 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 5.3 ptpt -62.53 -35.1 78.37 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.233 -0.439 . . . . 75.12 110.943 179.881 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 6.7 mt -76.53 -39.08 53.96 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.266 -0.425 . . . . 63.5 110.909 179.945 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 2.1 mt -50.44 -49.73 54.1 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.179 -0.464 . . . . 74.03 110.922 179.902 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -82.64 -12.25 57.78 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.137 -0.483 . . . . 73.14 110.866 179.967 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . 67.32 20.83 71.76 Favored Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 120.766 -0.73 . . . . 75.41 112.464 -179.967 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . 70.95 21.36 78.23 Favored Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.799 -0.715 . . . . 70.32 112.482 -179.882 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . 143.39 -40.54 1.21 Allowed Glycine 0 N--CA 1.452 -0.239 0 C-N-CA 120.684 -0.77 . . . . 61.23 112.447 -179.939 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . -84.84 77.09 2.14 Favored Glycine 0 N--CA 1.451 -0.347 0 C-N-CA 120.818 -0.706 . . . . 74.22 112.464 -179.867 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . -174.04 -149.48 7.06 Favored Glycine 0 N--CA 1.451 -0.364 0 C-N-CA 120.794 -0.717 . . . . 75.34 112.505 -179.912 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -65.44 -69.46 1.34 Allowed Glycine 0 N--CA 1.45 -0.376 0 C-N-CA 120.775 -0.726 . . . . 71.25 112.501 -179.944 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 67.27 44.6 85.33 Favored Glycine 0 N--CA 1.452 -0.272 0 C-N-CA 120.75 -0.738 . . . . 73.12 112.455 -179.9 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . -137.81 -170.33 11.85 Favored Glycine 0 N--CA 1.451 -0.335 0 C-N-CA 120.707 -0.759 . . . . 65.41 112.467 -179.892 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 28.5 tt0 -54.49 -30.73 54.19 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.852 0.358 . . . . 72.23 110.876 -179.908 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 1.7 pp -54.19 -30.43 49.66 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.157 -0.474 . . . . 75.34 110.834 -179.934 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 38' ' ' MET . . . . . . . . . . . . . 0.4 OUTLIER -70.17 -39.27 75.37 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.186 -0.461 . . . . 71.51 110.898 179.844 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 25.9 ttmt -61.28 -28.31 69.09 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.216 -0.447 . . . . 71.53 110.906 179.964 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 1.6 mt -59.31 -56.44 22.07 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.207 -0.451 . . . . 55.42 110.974 179.879 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 41' ' ' CYS . . . . . . . . . . . . . 28.6 p -73.55 -27.89 61.58 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.14 -0.482 . . . . 74.12 110.804 179.963 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 29.8 tt0 -61.3 -26.11 67.57 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.226 -0.443 . . . . 74.43 110.893 -179.86 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 2.3 mt-10 -57.06 -26.99 61.31 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.179 -0.464 . . . . 70.14 110.897 -179.97 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -52.45 -44.13 65.34 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.149 -0.478 . . . . 74.2 111.102 179.909 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -75.05 -24.31 58.23 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.245 -0.434 . . . . 75.32 111.022 -179.974 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -74.56 -48.72 25.16 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.207 -0.452 . . . . 62.11 110.936 179.961 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 48.7 mmtt -69.74 -51.98 29.43 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.201 -0.454 . . . . 73.5 110.896 179.852 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -52.1 -40.63 61.54 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.243 -0.435 . . . . 62.13 111.178 179.77 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 1.7 tt0 -68.75 -34.35 75.44 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.167 -0.47 . . . . 74.55 110.907 -179.997 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 1.3 tp10 -71.94 -51.03 24.07 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.184 -0.462 . . . . 64.01 110.896 -179.917 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 1.2 pp -68.07 -26.02 65.63 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.093 -0.503 . . . . 73.33 110.941 179.966 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 52' ' ' PHE . . . . . . . . . . . . . 12.1 t80 -54.91 -30.81 59.22 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.22 -0.446 . . . . 75.11 110.877 179.965 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 1.1 mtpp -61.54 -35.8 78.76 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.137 -0.483 . . . . 74.01 110.88 -179.974 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 54' ' ' LEU . . . . . . . . . . . . . 6.6 tp -54.97 -26.22 35.13 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.19 -0.459 . . . . 74.25 110.859 179.905 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -53.75 -28.88 37.08 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.218 -0.447 . . . . 63.53 111.187 179.769 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 22.0 tt0 -65.53 -52.96 48.69 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.184 -0.462 . . . . 75.14 110.913 -179.942 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 9.8 tt0 -54.49 -40.8 68.86 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.144 -0.48 . . . . 75.42 110.888 179.993 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 4.7 mtp180 -78.14 -25.11 47.18 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.126 -0.488 . . . . 74.14 110.905 -179.882 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 59' ' ' LEU . . . . . . . . . . . . . 63.6 tp -85.55 -68.12 0.75 Allowed 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.158 -0.474 . . . . 73.12 110.87 -179.974 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -102.57 -75.28 0.61 Allowed 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.294 -0.412 . . . . 73.14 110.925 179.806 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER -179.79 -34.4 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.243 -0.435 . . . . 74.5 110.937 179.874 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 6.5 tt . . . . . 0 C--N 1.329 -0.302 0 CA-C-N 116.178 -0.465 . . . . 75.15 110.84 179.88 . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' B' B ' 1' ' ' MET . . . . . . . . . . . . . 1.5 ttp . . . . . 0 C--O 1.231 0.117 0 CA-C-O 120.913 0.387 . . . . 73.32 110.869 . . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' B' B ' 2' ' ' LYS . . . . . . . . . . . . . 6.0 pttm -52.17 148.03 6.86 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.232 -0.44 . . . . 75.41 110.844 179.973 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 3' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -178.36 -39.76 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.175 -0.466 . . . . 74.51 110.905 179.814 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 4' ' ' LEU . . . . . . . . . . . . . 4.4 mm? -78.25 -32.82 49.86 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.169 -0.469 . . . . 73.23 110.893 179.984 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 5' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -71.93 -35.89 69.77 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.164 -0.471 . . . . 74.42 110.863 179.935 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 6' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -54.35 -27.26 34.91 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.232 -0.44 . . . . 74.53 110.912 -179.933 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 7' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -53.72 -51.64 62.64 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.1 -0.5 . . . . 75.42 110.916 -179.932 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 8' ' ' ALA . . . . . . . . . . . . . . . -52.86 -27.66 19.44 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.149 -0.478 . . . . 74.43 111.085 179.935 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 9' ' ' ALA . . . . . . . . . . . . . . . -67.16 -39.63 86.54 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.227 -0.442 . . . . 75.54 111.114 179.905 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 10' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -76.09 -31.98 59.0 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.198 -0.456 . . . . 71.51 110.931 179.999 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 11' ' ' LEU . . . . . . . . . . . . . 60.9 mt -51.82 -47.5 64.29 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.234 -0.439 . . . . 74.25 110.882 179.861 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 12' ' ' PHE . . . . . . . . . . . . . 22.7 m-85 -74.08 -23.34 59.33 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.145 -0.48 . . . . 74.23 110.904 179.981 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 13' ' ' GLU . . . . . 0.675 ' HE2' ' HD3' ' B' ' 17' ' ' LYS . 4.1 tm-20 -61.01 -35.43 76.84 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.113 -0.494 . . . . 62.13 110.863 -179.935 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 14' ' ' GLU . . . . . . . . . . . . . 4.3 mt-10 -74.31 -30.93 62.28 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.169 -0.469 . . . . 74.21 110.885 -179.912 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 15' ' ' TRP . . . . . . . . . . . . . 19.8 m0 -60.19 -53.08 62.02 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.203 -0.453 . . . . 73.53 110.915 -179.984 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 16' ' ' LYS . . . . . . . . . . . . . 7.2 tttp -68.88 -29.06 67.27 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.201 -0.454 . . . . 75.33 110.938 179.917 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 17' ' ' LYS . . . . . 0.675 ' HD3' ' HE2' ' B' ' 13' ' ' GLU . 0.0 OUTLIER -68.2 -57.71 5.59 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.217 -0.447 . . . . 75.14 110.9 179.875 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' B' B ' 18' ' ' LEU . . . . . . . . . . . . . 3.6 mt -54.99 -44.94 74.93 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.214 -0.448 . . . . 72.1 110.918 179.93 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 19' ' ' ALA . . . . . . . . . . . . . . . -61.82 -34.44 75.95 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.175 -0.466 . . . . 73.03 111.137 179.774 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 20' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -57.83 -49.29 77.15 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.275 -0.421 . . . . 75.11 110.876 -179.989 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 21' ' ' GLU . . . . . . . . . . . . . 32.5 mt-10 -74.09 -48.97 26.1 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.191 -0.459 . . . . 74.54 110.811 -179.859 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 22' ' ' ALA . . . . . . . . . . . . . . . -56.33 -30.9 63.2 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.185 -0.461 . . . . 73.22 111.1 179.987 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 23' ' ' ALA . . . . . . . . . . . . . . . -71.08 -54.21 11.92 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.187 -0.461 . . . . 72.52 111.065 179.922 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 24' ' ' LYS . . . . . . . . . . . . . 5.2 ptpt -62.67 -35.02 78.33 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.289 -0.414 . . . . 75.25 110.877 -179.984 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 25' ' ' LEU . . . . . . . . . . . . . 6.7 mt -76.65 -39.02 53.57 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.185 -0.461 . . . . 75.04 110.901 179.971 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 26' ' ' LEU . . . . . . . . . . . . . 2.3 mt -50.43 -49.81 53.83 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.21 -0.45 . . . . 75.23 110.937 179.874 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 27' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -82.46 -12.32 57.92 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.128 -0.487 . . . . 71.35 110.905 179.9 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 28' ' ' GLY . . . . . . . . . . . . . . . 67.08 21.26 71.63 Favored Glycine 0 N--CA 1.451 -0.325 0 C-N-CA 120.754 -0.736 . . . . 75.51 112.504 -179.904 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 29' ' ' GLY . . . . . . . . . . . . . . . 71.35 21.15 78.59 Favored Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.735 -0.745 . . . . 60.31 112.512 -179.925 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 30' ' ' GLY . . . . . . . . . . . . . . . 143.26 -40.44 1.23 Allowed Glycine 0 N--CA 1.451 -0.32 0 C-N-CA 120.721 -0.752 . . . . 43.41 112.45 -179.902 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 31' ' ' GLY . . . . . . . . . . . . . . . -85.08 77.41 2.11 Favored Glycine 0 N--CA 1.452 -0.298 0 C-N-CA 120.75 -0.738 . . . . 70.14 112.441 -179.915 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 32' ' ' GLY . . . . . . . . . . . . . . . -173.71 -149.97 7.28 Favored Glycine 0 N--CA 1.452 -0.285 0 C-N-CA 120.75 -0.738 . . . . 73.0 112.458 -179.945 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 33' ' ' GLY . . . . . . . . . . . . . . . -65.67 -69.66 1.29 Allowed Glycine 0 N--CA 1.45 -0.375 0 C-N-CA 120.75 -0.738 . . . . 71.21 112.566 -179.997 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 34' ' ' GLY . . . . . . . . . . . . . . . 67.37 44.47 84.59 Favored Glycine 0 N--CA 1.45 -0.39 0 C-N-CA 120.739 -0.743 . . . . 74.55 112.496 -179.95 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 35' ' ' GLY . . . . . . . . . . . . . . . -137.83 -170.46 11.88 Favored Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.693 -0.765 . . . . 72.21 112.428 -179.924 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 36' ' ' GLU . . . . . . . . . . . . . 28.4 tt0 -54.86 -31.06 59.22 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-O 120.853 0.359 . . . . 73.4 110.865 -179.842 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 37' ' ' LEU . . . . . . . . . . . . . 1.7 pp -54.34 -31.22 53.93 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.157 -0.474 . . . . 72.14 110.953 -179.995 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 38' ' ' MET . . . . . . . . . . . . . 0.4 OUTLIER -70.7 -39.08 73.65 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.12 -0.491 . . . . 73.12 110.965 179.799 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 39' ' ' LYS . . . . . . . . . . . . . 26.0 ttmt -61.26 -28.12 68.95 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.192 -0.458 . . . . 75.44 110.899 179.908 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 40' ' ' LEU . . . . . . . . . . . . . 1.6 mt -58.82 -56.64 19.65 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.23 -0.441 . . . . 75.33 110.901 179.926 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 41' ' ' CYS . . . . . . . . . . . . . 29.0 p -73.54 -27.89 61.58 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.219 -0.446 . . . . 62.34 110.902 179.961 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 42' ' ' GLU . . . . . . . . . . . . . 30.0 tt0 -61.05 -25.94 67.28 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.116 -0.493 . . . . 74.22 110.917 -179.867 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 43' ' ' GLU . . . . . . . . . . . . . 2.3 mt-10 -56.91 -27.09 60.4 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.11 -0.495 . . . . 74.23 110.857 -179.877 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 44' ' ' ALA . . . . . . . . . . . . . . . -52.44 -44.02 65.24 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.135 -0.484 . . . . 73.01 111.082 179.938 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 45' ' ' ALA . . . . . . . . . . . . . . . -75.13 -24.34 57.99 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.222 -0.445 . . . . 74.24 111.056 -179.988 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 46' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -74.44 -48.93 24.56 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.177 -0.465 . . . . 75.14 110.853 179.967 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 47' ' ' LYS . . . . . . . . . . . . . 48.5 mmtt -70.13 -51.54 30.67 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.225 -0.443 . . . . 75.31 110.934 179.873 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 48' ' ' ALA . . . . . . . . . . . . . . . -51.93 -40.56 60.98 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.168 -0.469 . . . . 74.13 111.118 179.824 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 49' ' ' GLU . . . . . . . . . . . . . 1.7 tt0 -68.62 -34.35 75.6 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.194 -0.457 . . . . 63.4 110.93 -179.916 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 50' ' ' GLU . . . . . . . . . . . . . 1.3 tp10 -72.25 -50.96 23.25 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.099 -0.5 . . . . 71.03 110.879 -179.922 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 51' ' ' LEU . . . . . . . . . . . . . 1.2 pp -68.19 -24.06 64.91 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.165 -0.471 . . . . 71.33 110.917 -179.94 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 52' ' ' PHE . . . . . . . . . . . . . 11.3 t80 -53.99 -31.74 51.83 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.18 -0.463 . . . . 73.04 110.814 179.992 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 53' ' ' LYS . . . . . . . . . . . . . 1.1 mtpp -61.92 -33.0 73.45 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.174 -0.466 . . . . 74.44 110.804 179.992 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 54' ' ' LEU . . . . . . . . . . . . . 6.7 tp -55.21 -25.37 32.61 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.326 -0.397 . . . . 74.25 110.886 179.954 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 55' ' ' ALA . . . . . . . . . . . . . . . -54.87 -33.87 62.32 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.21 -0.45 . . . . 71.21 111.098 179.821 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 56' ' ' GLU . . . . . . . . . . . . . 44.3 mt-10 -66.42 -36.55 83.09 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.239 -0.437 . . . . 73.24 110.859 -179.922 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 57' ' ' GLU . . . . . . . . . . . . . 9.9 tt0 -59.84 -47.81 84.24 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.178 -0.465 . . . . 65.11 110.915 -179.953 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 58' ' ' ARG . . . . . . . . . . . . . 3.6 mpp_? -78.8 -29.31 44.81 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.193 -0.458 . . . . 71.31 110.823 -179.896 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 59' ' ' LEU . . . . . . . . . . . . . 47.5 tp -74.47 -67.08 0.66 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.205 -0.452 . . . . 74.35 110.899 -179.96 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 60' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -111.77 -75.98 0.6 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.205 -0.452 . . . . 72.33 110.831 179.907 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 61' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER 179.04 -33.81 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.134 -0.485 . . . . 75.02 110.917 179.918 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 62' ' ' LEU . . . . . . . . . . . . . 6.7 tt . . . . . 0 C--N 1.328 -0.335 0 CA-C-N 116.169 -0.469 . . . . 70.11 110.892 179.897 . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' A' A ' 101' ' ' HLT . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 6.1 mtm . . . . . 0 C--O 1.232 0.14 0 CA-C-O 120.88 0.371 . . . . 64.31 110.858 . . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 6.9 pttt -123.1 171.98 8.89 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.216 -0.447 . . . . 75.13 110.895 179.935 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 1.9 mtpt -157.17 49.48 0.45 Allowed 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.248 -0.433 . . . . 72.21 110.911 179.862 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 1.7 mm? 60.57 17.86 7.81 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.198 -0.455 . . . . 73.22 110.888 179.891 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 0.8 OUTLIER -72.84 -41.06 65.21 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.223 -0.444 . . . . 75.45 110.829 -179.982 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 21.5 tt0 -53.96 -30.66 47.76 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.188 -0.46 . . . . 74.21 110.866 -179.921 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -55.28 -50.24 70.04 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.113 -0.494 . . . . 64.03 110.85 -179.893 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -54.4 -27.98 40.42 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.127 -0.488 . . . . 74.35 111.116 179.953 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -74.03 -38.04 64.15 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.181 -0.463 . . . . 74.12 111.088 179.952 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 1.7 mtmt -70.89 -29.29 65.33 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.262 -0.426 . . . . 75.41 110.911 179.934 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 56.6 mt -51.65 -45.26 63.3 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.234 -0.439 . . . . 74.15 110.94 179.942 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 27.4 m-85 -74.23 -29.35 61.67 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.129 -0.487 . . . . 72.12 110.857 179.962 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -59.69 -36.5 76.63 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.131 -0.486 . . . . 74.13 110.935 -179.928 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 2.7 mt-10 -75.01 -33.85 61.85 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.123 -0.489 . . . . 75.52 110.931 179.99 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 15' ' ' TRP . . . . . . . . . . . . . 1.3 m0 -61.42 -45.96 92.14 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.15 -0.477 . . . . 74.35 110.872 -179.931 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -77.32 -27.57 52.9 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.247 -0.433 . . . . 72.3 110.841 179.969 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -71.58 -53.13 14.76 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.244 -0.435 . . . . 72.5 110.835 179.935 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 22.8 mt -54.79 -29.0 53.24 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.247 -0.433 . . . . 74.54 110.927 179.99 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -65.98 -34.88 79.11 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.142 -0.481 . . . . 75.2 111.154 179.754 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 3.3 tt0 -56.3 -49.31 74.66 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.185 -0.461 . . . . 72.25 110.86 -179.93 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 1.7 mm-40 -74.1 -51.52 15.46 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.204 -0.453 . . . . 70.23 110.846 -179.884 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -53.54 -30.64 42.75 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.136 -0.483 . . . . 72.31 111.113 179.952 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -70.8 -54.09 12.92 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.187 -0.46 . . . . 73.41 111.11 179.889 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -64.58 -33.42 75.89 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.242 -0.435 . . . . 75.21 110.9 179.978 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 4.8 mt -76.59 -40.35 49.78 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.224 -0.444 . . . . 73.14 110.932 179.88 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 2.9 mt -50.74 -49.92 56.77 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 116.205 -0.452 . . . . 73.14 110.975 179.88 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 11.9 mm-40 -93.32 12.51 24.44 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.152 -0.476 . . . . 73.12 110.872 179.858 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . -59.29 -14.6 27.09 Favored Glycine 0 N--CA 1.453 -0.227 0 C-N-CA 120.784 -0.722 . . . . 71.01 112.456 -179.945 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . 138.68 47.48 0.06 OUTLIER Glycine 0 N--CA 1.451 -0.342 0 C-N-CA 120.746 -0.74 . . . . 74.23 112.493 -179.894 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . -175.6 35.09 0.1 OUTLIER Glycine 0 N--CA 1.452 -0.286 0 C-N-CA 120.703 -0.76 . . . . 74.41 112.43 -179.893 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . -130.01 -120.07 2.2 Favored Glycine 0 N--CA 1.452 -0.289 0 C-N-CA 120.683 -0.77 . . . . 73.53 112.478 -179.961 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . -109.51 -61.54 0.52 Allowed Glycine 0 N--CA 1.451 -0.347 0 C-N-CA 120.713 -0.756 . . . . 72.24 112.511 -179.932 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . 151.85 -60.43 0.41 Allowed Glycine 0 N--CA 1.451 -0.343 0 C-N-CA 120.718 -0.753 . . . . 62.11 112.452 -179.944 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 176.32 82.86 0.06 OUTLIER Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 120.768 -0.73 . . . . 74.52 112.463 -179.954 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . -144.1 -154.24 6.08 Favored Glycine 0 N--CA 1.451 -0.341 0 C-N-CA 120.707 -0.758 . . . . 72.03 112.491 -179.947 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 1.5 pt-20 -73.49 -12.69 60.87 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-O 120.8 0.333 . . . . 64.24 110.895 -179.914 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 4.8 tp -51.46 -55.16 20.33 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.188 -0.46 . . . . 75.03 110.95 -179.95 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 38' ' ' MET . . . . . . . . . . . . . 33.1 tpp -68.7 -34.42 75.62 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.203 -0.453 . . . . 74.14 110.874 179.787 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -55.23 -28.68 54.92 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.242 -0.435 . . . . 73.34 110.943 179.937 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 4.7 mt -68.69 -57.13 6.11 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.177 -0.465 . . . . 74.41 110.892 179.941 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 41' ' ' CYS . . . . . . . . . . . . . 17.8 p -67.68 -24.4 65.41 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.201 -0.454 . . . . 74.44 110.874 179.962 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 1.7 mt-10 -55.87 -25.13 40.93 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.201 -0.454 . . . . 72.55 110.903 -179.956 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 12.2 mm-40 -54.28 -28.31 41.09 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.2 -0.455 . . . . 74.42 110.852 -179.975 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -51.51 -43.5 62.27 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.18 -0.463 . . . . 53.45 111.126 179.929 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -75.04 -22.84 58.15 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.155 -0.475 . . . . 73.23 111.128 179.928 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -77.75 -51.03 11.2 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.212 -0.449 . . . . 73.1 110.925 179.917 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -69.03 -53.41 20.62 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.23 -0.441 . . . . 70.24 110.926 179.837 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -51.96 -29.67 21.48 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.216 -0.447 . . . . 75.25 111.09 179.897 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 2.0 tt0 -71.26 -44.45 65.26 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.185 -0.461 . . . . 73.43 110.895 -179.961 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 27.1 tp10 -74.0 -33.43 63.8 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.118 -0.492 . . . . 63.3 110.914 -179.945 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 2.4 mt -71.23 -38.2 71.98 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.145 -0.479 . . . . 72.12 110.886 -179.945 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 52' ' ' PHE . . . . . . . . . . . . . 43.1 t80 -53.86 -30.92 47.74 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.253 -0.43 . . . . 63.34 110.857 179.973 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 1.6 mptt -75.61 -39.82 57.35 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.136 -0.483 . . . . 75.03 110.9 179.931 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 54' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -59.54 -25.07 64.22 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.199 -0.455 . . . . 75.42 110.927 179.94 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -68.4 -30.44 69.35 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.152 -0.476 . . . . 72.41 111.099 179.785 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 39.6 tt0 -52.83 -34.34 53.5 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.226 -0.443 . . . . 73.44 110.855 -179.908 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 2.3 tt0 -65.81 -43.0 89.95 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.193 -0.458 . . . . 74.24 110.901 -179.973 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 2.5 mpt_? -77.75 -25.66 49.33 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.126 -0.488 . . . . 75.44 110.907 -179.929 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 59' ' ' LEU . . . . . . . . . . . . . 1.5 tp -85.43 -73.65 0.43 Allowed 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.214 -0.448 . . . . 72.41 110.937 179.999 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -105.57 -175.55 2.83 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.188 -0.46 . . . . 75.25 110.888 179.782 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 5.5 mttt -102.0 29.49 5.01 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.187 -0.46 . . . . 74.51 110.93 179.864 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 3.4 mp . . . . . 0 C--N 1.329 -0.291 0 CA-C-N 116.259 -0.428 . . . . 74.54 110.975 179.942 . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' B' B ' 1' ' ' MET . . . . . . . . . . . . . 6.2 mtm . . . . . 0 C--O 1.231 0.116 0 CA-C-O 120.856 0.36 . . . . 75.53 110.816 . . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' B' B ' 2' ' ' LYS . . . . . . . . . . . . . 6.8 pttt -122.3 171.07 9.31 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.18 -0.463 . . . . 75.53 110.922 179.916 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 3' ' ' LYS . . . . . . . . . . . . . 1.7 mtpt -158.01 50.86 0.42 Allowed 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.253 -0.43 . . . . 74.53 110.925 179.809 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 4' ' ' LEU . . . . . . . . . . . . . 1.8 mm? 60.47 18.14 7.93 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.212 -0.449 . . . . 75.53 110.958 179.977 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 5' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER -73.11 -38.44 66.34 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.195 -0.457 . . . . 64.44 110.899 179.939 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 6' ' ' GLU . . . . . . . . . . . . . 20.3 tt0 -53.78 -28.39 34.56 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.22 -0.445 . . . . 72.5 110.89 -179.979 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 7' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -53.15 -50.97 63.46 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.123 -0.489 . . . . 74.23 110.924 -179.958 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 8' ' ' ALA . . . . . . . . . . . . . . . -52.51 -27.36 16.1 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.196 -0.456 . . . . 74.51 111.062 179.957 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 9' ' ' ALA . . . . . . . . . . . . . . . -74.26 -37.81 63.64 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.268 -0.424 . . . . 72.12 111.111 179.933 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 10' ' ' LYS . . . . . . . . . . . . . 1.7 mtmt -70.88 -34.97 72.13 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.238 -0.437 . . . . 74.31 110.918 179.973 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 11' ' ' LEU . . . . . . . . . . . . . 49.6 mt -51.86 -44.4 63.66 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.239 -0.437 . . . . 72.14 110.958 179.862 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 12' ' ' PHE . . . . . . . . . . . . . 27.4 m-85 -74.14 -24.97 59.5 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.275 -0.421 . . . . 74.22 110.882 179.917 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 13' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -53.85 -27.81 32.06 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.174 -0.466 . . . . 75.41 110.904 -179.938 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 14' ' ' GLU . . . . . . . . . . . . . 2.7 mt-10 -68.16 -38.21 81.84 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.133 -0.485 . . . . 74.32 110.881 -179.93 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 15' ' ' TRP . . . . . . . . . . . . . 5.2 t90 -64.7 -42.42 95.31 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.174 -0.466 . . . . 75.44 110.909 179.999 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 16' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -77.51 -29.01 52.25 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.276 -0.42 . . . . 70.32 110.92 179.892 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 17' ' ' LYS . . . . . . . . . . . . . 1.1 mmtp -75.05 -55.53 5.65 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.271 -0.422 . . . . 72.42 110.888 179.852 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 18' ' ' LEU . . . . . . . . . . . . . 22.7 mt -54.4 -26.95 33.41 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.163 -0.471 . . . . 70.53 110.942 179.927 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 19' ' ' ALA . . . . . . . . . . . . . . . -64.23 -39.43 93.96 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.161 -0.472 . . . . 72.53 111.098 179.792 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 20' ' ' GLU . . . . . . . . . . . . . 3.3 tt0 -56.41 -49.65 73.9 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.262 -0.426 . . . . 72.03 110.837 -179.924 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 21' ' ' GLU . . . . . . . . . . . . . 1.7 mm-40 -74.13 -51.52 15.36 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.16 -0.473 . . . . 75.14 110.863 -179.904 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 22' ' ' ALA . . . . . . . . . . . . . . . -53.34 -30.66 40.54 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.221 -0.445 . . . . 71.44 111.126 179.933 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 23' ' ' ALA . . . . . . . . . . . . . . . -70.78 -54.11 12.9 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.225 -0.443 . . . . 75.12 111.076 179.916 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 24' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -64.67 -33.49 76.06 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.277 -0.42 . . . . 74.12 110.898 179.989 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 25' ' ' LEU . . . . . . . . . . . . . 4.7 mt -76.46 -40.3 50.84 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.223 -0.444 . . . . 74.24 110.889 179.927 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 26' ' ' LEU . . . . . . . . . . . . . 2.8 mt -50.75 -50.28 56.06 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.208 -0.451 . . . . 74.24 110.96 179.916 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 27' ' ' GLU . . . . . . . . . . . . . 12.1 mm-40 -94.49 12.44 27.3 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.197 -0.456 . . . . 75.21 110.88 179.927 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 28' ' ' GLY . . . . . . . . . . . . . . . -59.22 -14.77 27.43 Favored Glycine 0 N--CA 1.452 -0.278 0 C-N-CA 120.757 -0.735 . . . . 65.33 112.41 -179.908 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 29' ' ' GLY . . . . . . . . . . . . . . . 136.54 47.11 0.08 OUTLIER Glycine 0 N--CA 1.451 -0.346 0 C-N-CA 120.733 -0.746 . . . . 63.01 112.455 -179.88 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 30' ' ' GLY . . . . . . . . . . . . . . . -176.46 36.67 0.09 OUTLIER Glycine 0 N--CA 1.451 -0.302 0 C-N-CA 120.739 -0.743 . . . . 50.31 112.474 -179.91 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 31' ' ' GLY . . . . . . . . . . . . . . . -129.0 -122.66 2.48 Favored Glycine 0 N--CA 1.45 -0.412 0 C-N-CA 120.731 -0.747 . . . . 71.03 112.502 -179.941 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 32' ' ' GLY . . . . . . . . . . . . . . . -111.62 -61.4 0.47 Allowed Glycine 0 N--CA 1.451 -0.334 0 C-N-CA 120.786 -0.721 . . . . 64.43 112.518 -179.884 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 33' ' ' GLY . . . . . . . . . . . . . . . 151.84 -58.22 0.43 Allowed Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 120.712 -0.756 . . . . 72.03 112.477 -179.886 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 34' ' ' GLY . . . . . . . . . . . . . . . 178.27 81.3 0.06 OUTLIER Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 120.732 -0.747 . . . . 53.51 112.474 -179.906 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 35' ' ' GLY . . . . . . . . . . . . . . . -144.99 -153.55 5.89 Favored Glycine 0 N--CA 1.452 -0.299 0 C-N-CA 120.694 -0.765 . . . . 70.33 112.525 -179.937 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 36' ' ' GLU . . . . . . . . . . . . . 1.5 pt-20 -73.81 -12.88 60.83 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 120.884 0.373 . . . . 52.24 110.873 -179.875 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 37' ' ' LEU . . . . . . . . . . . . . 4.6 tp -51.38 -55.86 16.29 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.185 -0.461 . . . . 75.15 110.929 -179.992 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 38' ' ' MET . . . . . . . . . . . . . 33.5 tpp -69.21 -34.25 74.6 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.206 -0.452 . . . . 75.12 110.843 179.848 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 39' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -54.17 -29.31 45.15 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.27 -0.423 . . . . 74.03 110.875 179.953 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 40' ' ' LEU . . . . . . . . . . . . . 5.1 mt -66.56 -59.17 3.87 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.231 -0.44 . . . . 71.32 110.899 179.955 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 41' ' ' CYS . . . . . . . . . . . . . 18.2 p -67.05 -25.36 66.22 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.141 -0.482 . . . . 72.22 110.987 179.869 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 42' ' ' GLU . . . . . . . . . . . . . 1.7 mt-10 -57.22 -25.48 59.16 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.125 -0.489 . . . . 75.5 110.89 -179.914 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 43' ' ' GLU . . . . . . . . . . . . . 12.3 mm-40 -54.6 -27.43 39.26 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.142 -0.481 . . . . 64.23 110.893 -179.935 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 44' ' ' ALA . . . . . . . . . . . . . . . -51.71 -45.76 63.69 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.107 -0.497 . . . . 74.11 111.157 179.887 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 45' ' ' ALA . . . . . . . . . . . . . . . -72.99 -22.91 60.6 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.175 -0.466 . . . . 65.21 111.109 179.895 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 46' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -76.89 -51.05 11.93 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.227 -0.442 . . . . 72.12 110.893 179.965 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 47' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -70.71 -53.89 13.92 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.276 -0.42 . . . . 72.32 110.897 179.888 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 48' ' ' ALA . . . . . . . . . . . . . . . -51.89 -29.8 21.42 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.234 -0.439 . . . . 64.45 111.117 179.859 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 49' ' ' GLU . . . . . . . . . . . . . 2.0 tt0 -70.96 -44.39 66.14 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.18 -0.464 . . . . 75.24 110.87 -179.94 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 50' ' ' GLU . . . . . . . . . . . . . 27.1 tp10 -74.0 -35.02 64.39 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.147 -0.479 . . . . 75.25 110.975 -179.979 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 51' ' ' LEU . . . . . . . . . . . . . 2.5 mt -73.13 -45.62 55.77 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.088 -0.506 . . . . 71.31 110.921 -179.972 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 52' ' ' PHE . . . . . . . . . . . . . 42.8 t80 -53.84 -34.83 60.46 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.169 -0.469 . . . . 72.22 110.934 179.924 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 53' ' ' LYS . . . . . . . . . . . . . 1.7 mptt -76.2 -35.3 59.15 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.067 -0.515 . . . . 74.25 110.915 179.937 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 54' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -54.6 -27.89 42.46 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.248 -0.433 . . . . 73.31 110.934 179.907 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 55' ' ' ALA . . . . . . . . . . . . . . . -73.13 -35.83 66.59 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.081 -0.509 . . . . 72.21 111.09 179.814 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 56' ' ' GLU . . . . . . . . . . . . . 39.5 tt0 -52.59 -34.26 49.94 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.209 -0.451 . . . . 74.35 110.91 -179.973 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 57' ' ' GLU . . . . . . . . . . . . . 2.3 tt0 -66.11 -40.31 90.63 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 116.137 -0.483 . . . . 71.32 110.882 -179.878 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 58' ' ' ARG . . . . . . . . . . . . . 2.4 mpt_? -78.42 -28.29 46.78 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.137 -0.483 . . . . 73.43 110.894 -179.954 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 59' ' ' LEU . . . . . . . . . . . . . 1.4 tm? -84.19 -69.95 0.61 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.182 -0.463 . . . . 73.33 110.874 -179.924 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 60' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -109.52 -175.05 2.65 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.204 -0.453 . . . . 75.21 110.975 179.815 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 61' ' ' LYS . . . . . . . . . . . . . 5.5 mttt -101.94 31.12 4.04 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.276 -0.42 . . . . 61.21 110.921 179.898 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 62' ' ' LEU . . . . . . . . . . . . . 3.4 mp . . . . . 0 C--N 1.329 -0.323 0 CA-C-N 116.161 -0.472 . . . . 73.22 110.926 179.996 . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' A' A ' 101' ' ' HLT . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.23 0.062 0 CA-C-O 120.904 0.383 . . . . 74.23 110.802 . . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -165.25 151.97 10.36 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.177 -0.465 . . . . 73.13 110.921 179.937 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 9.6 mttt -179.33 -38.48 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.249 -0.432 . . . . 73.25 110.91 179.839 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 4.5 mm? -90.4 -35.71 15.02 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.261 -0.427 . . . . 61.42 110.931 179.879 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 3.8 mtt-85 -68.21 -37.93 81.38 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.146 -0.479 . . . . 75.34 110.9 179.962 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -53.76 -31.82 50.02 Favored 'General case' 0 C--N 1.331 -0.207 0 CA-C-N 116.152 -0.476 . . . . 70.12 110.898 -179.884 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 45.4 mm-40 -54.0 -42.85 69.52 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.103 -0.499 . . . . 72.43 110.894 -179.926 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -71.84 -26.71 62.48 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.163 -0.471 . . . . 65.51 111.11 179.914 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -55.71 -49.19 73.7 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.256 -0.429 . . . . 73.31 111.118 179.897 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 20.8 mtpt -55.79 -38.92 70.56 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.173 -0.467 . . . . 71.53 110.913 179.963 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 44.0 mt -51.71 -41.95 61.88 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.192 -0.458 . . . . 75.13 110.913 179.944 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 22.2 m-85 -74.26 -26.16 60.05 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.156 -0.475 . . . . 65.15 110.853 179.917 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -58.37 -41.66 85.26 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.201 -0.454 . . . . 71.12 110.933 -179.947 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 7.1 mt-10 -75.14 -27.57 59.82 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.059 -0.518 . . . . 74.24 110.923 -179.97 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 15' ' ' TRP . . . . . . . . . . . . . 1.2 m0 -60.67 -48.54 81.32 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.183 -0.462 . . . . 73.14 110.942 -179.968 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 16.0 ptmt -77.02 -28.04 54.81 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.247 -0.433 . . . . 74.44 110.939 179.909 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 8.0 ttmm -69.83 -51.81 30.38 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.166 -0.47 . . . . 74.5 110.953 179.81 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 12.0 mt -54.81 -35.94 64.42 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.227 -0.442 . . . . 75.01 110.972 179.885 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -66.77 -23.37 66.07 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.19 -0.459 . . . . 63.32 111.082 179.8 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 2.1 tp10 -73.02 -49.37 29.21 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.225 -0.443 . . . . 72.24 110.952 179.998 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 21.3 mt-10 -72.3 -51.0 22.79 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.1 -0.5 . . . . 74.11 110.925 -179.945 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -54.67 -30.6 55.93 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.142 -0.481 . . . . 63.33 111.132 179.93 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -71.04 -54.33 11.54 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.239 -0.437 . . . . 64.13 111.094 179.87 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 6.3 ptmt -63.48 -34.29 77.45 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.232 -0.44 . . . . 75.44 110.859 -179.972 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 6.0 mt -76.75 -39.11 52.83 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.238 -0.437 . . . . 74.52 110.88 179.939 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 2.2 mt -50.75 -49.9 56.91 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.254 -0.43 . . . . 75.12 110.927 179.842 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -90.63 12.2 19.68 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.178 -0.465 . . . . 74.05 110.922 179.9 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . -58.89 -14.72 24.77 Favored Glycine 0 N--CA 1.451 -0.307 0 C-N-CA 120.738 -0.744 . . . . 75.32 112.501 -179.954 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . 140.07 48.24 0.06 OUTLIER Glycine 0 N--CA 1.451 -0.344 0 C-N-CA 120.72 -0.752 . . . . 73.1 112.462 -179.92 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . -79.59 -43.28 10.4 Favored Glycine 0 N--CA 1.451 -0.316 0 C-N-CA 120.767 -0.73 . . . . 54.25 112.485 -179.919 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . 98.52 127.97 5.99 Favored Glycine 0 N--CA 1.452 -0.267 0 C-N-CA 120.703 -0.761 . . . . 55.4 112.461 -179.902 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . 153.57 -129.9 2.81 Favored Glycine 0 N--CA 1.452 -0.293 0 C-N-CA 120.756 -0.735 . . . . 63.43 112.486 -179.979 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . 167.94 72.3 0.03 OUTLIER Glycine 0 N--CA 1.45 -0.39 0 C-N-CA 120.676 -0.773 . . . . 73.2 112.491 -179.919 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . -120.54 89.49 0.45 Allowed Glycine 0 N--CA 1.452 -0.267 0 C-N-CA 120.74 -0.743 . . . . 72.11 112.493 -179.892 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . -52.59 -81.72 0.05 OUTLIER Glycine 0 N--CA 1.452 -0.29 0 C-N-CA 120.681 -0.771 . . . . 74.43 112.498 -179.923 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 28.2 tt0 -63.11 -21.49 66.22 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.857 0.361 . . . . 74.11 110.896 -179.882 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 16.1 tp -50.9 -36.14 36.66 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.128 -0.487 . . . . 72.03 110.911 179.952 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 38' ' ' MET . . . . . . . . . . . . . 1.0 OUTLIER -72.65 -35.02 67.65 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.219 -0.446 . . . . 71.45 110.827 179.889 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 2.2 tttt -58.5 -28.0 65.0 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.189 -0.46 . . . . 74.12 110.909 179.96 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 2.8 mt -59.95 -61.14 2.83 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.234 -0.439 . . . . 74.1 110.9 179.913 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 41' ' ' CYS . . . . . . . . . . . . . 28.1 p -69.06 -31.3 69.97 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.198 -0.456 . . . . 74.12 110.843 179.974 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 11.2 tt0 -55.93 -25.48 43.41 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.236 -0.438 . . . . 73.42 110.891 -179.874 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 2.5 mm-40 -54.54 -29.3 50.44 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.182 -0.463 . . . . 75.12 110.877 -179.906 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -51.75 -43.79 63.08 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.164 -0.471 . . . . 71.44 111.134 179.927 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -75.09 -23.1 57.94 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.205 -0.452 . . . . 73.34 111.094 179.898 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -77.02 -50.36 13.29 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.256 -0.429 . . . . 74.41 110.974 179.924 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 9.4 mmtm -69.36 -46.86 65.96 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.18 -0.464 . . . . 53.42 110.874 179.869 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -51.97 -47.11 64.98 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.258 -0.428 . . . . 73.45 111.186 179.755 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -77.14 -32.46 56.38 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.119 -0.491 . . . . 73.41 110.902 -179.932 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 1.1 mm-40 -62.69 -51.12 68.44 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.176 -0.466 . . . . 75.11 110.944 -179.98 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 3.9 pp -72.2 -39.88 68.28 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.143 -0.48 . . . . 74.22 110.968 179.993 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 52' ' ' PHE . . . . . . . . . . . . . 76.6 t80 -62.49 -24.14 67.31 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.18 -0.464 . . . . 72.45 110.893 179.96 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 2.0 tptm -63.8 -59.38 4.63 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.162 -0.472 . . . . 74.34 110.853 179.942 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 54' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -75.73 -32.72 60.15 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.242 -0.436 . . . . 74.45 110.882 179.956 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -52.78 -41.08 63.78 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.202 -0.454 . . . . 70.35 111.053 179.795 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 8.8 pt-20 -54.72 -26.75 35.86 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.238 -0.437 . . . . 75.34 110.869 -179.871 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 6.0 tt0 -66.25 -55.36 16.5 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.132 -0.485 . . . . 72.31 110.966 -179.992 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -78.21 -14.27 59.52 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.11 -0.496 . . . . 75.43 110.871 -179.917 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 59' ' ' LEU . . . . . . . . . . . . . 68.0 mt -87.31 -66.33 0.92 Allowed 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.239 -0.437 . . . . 72.43 110.979 179.976 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -124.45 -81.2 0.63 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.165 -0.47 . . . . 74.21 110.973 179.772 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER 177.03 -57.56 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.239 -0.437 . . . . 75.13 110.89 179.822 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 C--N 1.328 -0.36 0 CA-C-N 116.235 -0.439 . . . . 74.41 110.933 179.949 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 1' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.232 0.158 0 CA-C-O 120.811 0.339 . . . . 75.13 110.919 . . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 2' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -164.93 152.21 11.11 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.232 -0.44 . . . . 75.11 110.921 179.953 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 3' ' ' LYS . . . . . . . . . . . . . 9.5 mttt -179.27 -38.29 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.254 -0.43 . . . . 74.51 110.933 179.86 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 4' ' ' LEU . . . . . . . . . . . . . 4.5 mm? -90.16 -36.18 14.96 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.31 -0.405 . . . . 75.33 110.995 179.838 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 5' ' ' ARG . . . . . . . . . . . . . 3.6 mtt-85 -68.84 -38.69 80.0 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.138 -0.483 . . . . 74.54 110.879 179.9 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 6' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -53.88 -32.37 53.0 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.239 -0.437 . . . . 73.31 110.874 -179.918 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 7' ' ' GLU . . . . . . . . . . . . . 45.8 mm-40 -54.73 -42.78 71.97 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.141 -0.482 . . . . 74.2 110.867 -179.938 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 8' ' ' ALA . . . . . . . . . . . . . . . -70.41 -26.95 63.92 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.098 -0.501 . . . . 75.22 111.049 -179.996 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 9' ' ' ALA . . . . . . . . . . . . . . . -57.8 -47.37 82.79 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.181 -0.463 . . . . 74.02 111.041 179.976 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 10' ' ' LYS . . . . . . . . . . . . . 21.1 mtpt -55.88 -37.32 68.68 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.267 -0.424 . . . . 72.03 110.929 179.958 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 11' ' ' LEU . . . . . . . . . . . . . 47.2 mt -51.8 -42.63 62.63 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.179 -0.464 . . . . 72.05 110.933 179.952 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 12' ' ' PHE . . . . . . . . . . . . . 23.2 m-85 -74.22 -25.61 59.77 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.19 -0.459 . . . . 72.42 110.9 179.897 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 13' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -53.87 -31.85 51.17 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.179 -0.464 . . . . 74.51 110.925 -179.931 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 14' ' ' GLU . . . . . . . . . . . . . 7.0 mt-10 -67.19 -31.44 71.83 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.122 -0.49 . . . . 73.45 110.862 -179.93 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 15' ' ' TRP . . . . . . . . . . . . . 4.0 t90 -67.63 -47.0 70.86 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.141 -0.481 . . . . 73.43 110.942 -179.938 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 16' ' ' LYS . . . . . . . . . . . . . 16.1 ptmt -77.39 -30.02 53.46 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.181 -0.463 . . . . 74.41 110.845 179.964 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 17' ' ' LYS . . . . . . . . . . . . . 8.2 ttmm -74.36 -54.93 6.63 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.22 -0.445 . . . . 74.34 110.979 179.819 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 18' ' ' LEU . . . . . . . . . . . . . 18.4 mt -54.65 -36.57 64.7 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.224 -0.444 . . . . 71.41 110.897 179.921 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 19' ' ' ALA . . . . . . . . . . . . . . . -67.02 -26.86 66.99 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.174 -0.466 . . . . 63.21 111.085 179.812 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 20' ' ' GLU . . . . . . . . . . . . . 2.1 tp10 -73.47 -49.47 26.64 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.29 -0.414 . . . . 71.31 110.902 -179.97 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 21' ' ' GLU . . . . . . . . . . . . . 21.3 mt-10 -72.64 -51.13 20.8 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.161 -0.472 . . . . 74.32 110.873 -179.886 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 22' ' ' ALA . . . . . . . . . . . . . . . -54.17 -30.79 50.71 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.141 -0.482 . . . . 74.35 111.106 179.914 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 23' ' ' ALA . . . . . . . . . . . . . . . -70.96 -54.39 11.49 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.161 -0.472 . . . . 74.43 111.128 179.949 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 24' ' ' LYS . . . . . . . . . . . . . 6.3 ptmt -63.64 -34.14 77.17 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.178 -0.465 . . . . 75.03 110.96 179.938 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 25' ' ' LEU . . . . . . . . . . . . . 5.7 mt -76.56 -39.67 52.07 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.229 -0.441 . . . . 72.54 110.903 179.933 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 26' ' ' LEU . . . . . . . . . . . . . 2.1 mt -50.65 -49.91 55.88 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.222 -0.444 . . . . 72.32 110.929 179.874 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 27' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -90.86 12.32 19.78 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.181 -0.463 . . . . 73.13 110.865 179.91 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 28' ' ' GLY . . . . . . . . . . . . . . . -58.82 -15.09 25.89 Favored Glycine 0 N--CA 1.451 -0.309 0 C-N-CA 120.746 -0.74 . . . . 73.3 112.469 -179.976 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 29' ' ' GLY . . . . . . . . . . . . . . . 136.59 46.08 0.08 OUTLIER Glycine 0 N--CA 1.452 -0.28 0 C-N-CA 120.777 -0.725 . . . . 61.15 112.476 -179.892 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 30' ' ' GLY . . . . . . . . . . . . . . . -83.25 -42.82 7.78 Favored Glycine 0 N--CA 1.452 -0.271 0 C-N-CA 120.75 -0.738 . . . . 64.42 112.43 -179.905 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 31' ' ' GLY . . . . . . . . . . . . . . . 97.99 123.78 4.81 Favored Glycine 0 N--CA 1.452 -0.284 0 C-N-CA 120.766 -0.731 . . . . 75.24 112.529 -179.859 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 32' ' ' GLY . . . . . . . . . . . . . . . 147.08 -110.97 0.54 Allowed Glycine 0 N--CA 1.452 -0.27 0 C-N-CA 120.7 -0.762 . . . . 65.21 112.46 -179.898 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 33' ' ' GLY . . . . . . . . . . . . . . . -166.22 97.22 0.14 Allowed Glycine 0 N--CA 1.451 -0.359 0 C-N-CA 120.704 -0.76 . . . . 53.05 112.498 -179.886 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 34' ' ' GLY . . . . . . . . . . . . . . . -90.27 44.97 2.96 Favored Glycine 0 N--CA 1.452 -0.273 0 C-N-CA 120.726 -0.749 . . . . 74.35 112.523 -179.907 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 35' ' ' GLY . . . . . . . . . . . . . . . -79.18 -102.91 0.23 Allowed Glycine 0 N--CA 1.451 -0.337 0 C-N-CA 120.712 -0.756 . . . . 73.45 112.468 -179.845 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 36' ' ' GLU . . . . . . . . . . . . . 30.4 tt0 -75.73 -24.42 56.14 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 120.901 0.381 . . . . 75.34 110.896 -179.882 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 37' ' ' LEU . . . . . . . . . . . . . 14.6 tp -59.71 -36.67 77.01 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.092 -0.503 . . . . 74.21 110.921 -179.982 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 38' ' ' MET . . . . . . . . . . . . . 1.3 ttm -68.34 -30.0 68.87 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.141 -0.481 . . . . 72.14 110.866 179.857 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 39' ' ' LYS . . . . . . . . . . . . . 2.4 tttt -54.34 -29.33 47.71 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.285 -0.416 . . . . 75.32 110.916 179.926 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 40' ' ' LEU . . . . . . . . . . . . . 2.5 mt -62.08 -60.97 2.83 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.189 -0.46 . . . . 74.53 110.91 179.93 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 41' ' ' CYS . . . . . . . . . . . . . 28.7 p -69.35 -29.36 67.15 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.198 -0.456 . . . . 75.12 110.869 179.917 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 42' ' ' GLU . . . . . . . . . . . . . 11.3 tt0 -56.15 -25.83 47.99 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.18 -0.463 . . . . 72.13 110.807 -179.797 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 43' ' ' GLU . . . . . . . . . . . . . 2.5 mm-40 -54.81 -28.99 53.5 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.193 -0.458 . . . . 62.32 110.842 -179.862 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 44' ' ' ALA . . . . . . . . . . . . . . . -51.85 -45.73 64.14 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.143 -0.48 . . . . 62.35 111.098 179.909 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 45' ' ' ALA . . . . . . . . . . . . . . . -75.13 -22.9 57.87 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.209 -0.451 . . . . 75.02 111.104 179.955 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 46' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -75.33 -49.54 18.81 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.229 -0.441 . . . . 74.32 110.905 179.946 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 47' ' ' LYS . . . . . . . . . . . . . 9.4 mmtm -72.67 -46.33 54.37 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.235 -0.438 . . . . 64.51 110.912 179.858 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 48' ' ' ALA . . . . . . . . . . . . . . . -51.96 -46.18 64.67 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.233 -0.44 . . . . 74.2 111.08 179.839 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 49' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -75.88 -29.7 58.58 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.194 -0.457 . . . . 75.22 110.857 -179.933 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 50' ' ' GLU . . . . . . . . . . . . . 1.1 mm-40 -63.25 -51.24 67.0 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.196 -0.456 . . . . 73.42 110.883 -179.895 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 51' ' ' LEU . . . . . . . . . . . . . 3.8 pp -73.27 -38.97 65.76 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.154 -0.475 . . . . 53.52 110.89 -179.967 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 52' ' ' PHE . . . . . . . . . . . . . 75.8 t80 -62.95 -24.06 67.69 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.977 0.418 . . . . 72.52 110.893 179.923 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 53' ' ' LYS . . . . . . . . . . . . . 2.0 tptm -62.24 -59.17 5.42 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.155 -0.475 . . . . 72.1 110.896 179.915 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 54' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -75.26 -37.55 60.9 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.225 -0.443 . . . . 74.43 110.928 179.933 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 55' ' ' ALA . . . . . . . . . . . . . . . -56.97 -38.93 73.68 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.192 -0.458 . . . . 64.14 111.038 179.828 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 56' ' ' GLU . . . . . . . . . . . . . 16.3 tt0 -56.82 -24.88 54.16 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.229 -0.441 . . . . 61.3 110.912 -179.934 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 57' ' ' GLU . . . . . . . . . . . . . 6.4 tt0 -66.83 -54.32 23.66 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.109 -0.496 . . . . 73.21 110.904 -179.969 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 58' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -77.29 -18.5 57.48 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.135 -0.484 . . . . 75.34 110.842 -179.897 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 59' ' ' LEU . . . . . . . . . . . . . 62.7 mt -82.41 -50.98 8.28 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.266 -0.425 . . . . 72.24 110.905 -179.987 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 60' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -110.18 -65.8 1.12 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.136 -0.484 . . . . 74.13 110.885 179.839 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 61' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -179.56 -69.21 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.279 -0.419 . . . . 73.1 110.916 179.859 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 62' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 C--N 1.329 -0.316 0 CA-C-N 116.195 -0.457 . . . . 73.44 110.885 179.929 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 101' ' ' HLT . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 4.1 mtt . . . . . 0 C--O 1.232 0.147 0 CA-C-O 120.81 0.338 . . . . 75.41 110.844 . . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -123.5 142.36 51.08 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.236 -0.438 . . . . 72.22 110.834 179.953 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -143.52 -70.37 0.31 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.225 -0.443 . . . . 73.43 110.943 179.836 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 1.6 pt? -135.77 8.15 3.28 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.212 -0.449 . . . . 72.12 110.901 179.905 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -72.01 -33.97 68.49 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.18 -0.464 . . . . 74.25 110.901 179.967 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 18.0 pt-20 -55.25 -26.02 37.17 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.18 -0.463 . . . . 73.21 110.877 -179.948 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 2.0 pp20? -53.47 -31.5 46.0 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.096 -0.502 . . . . 71.13 110.931 -179.888 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -72.45 -28.42 62.92 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.127 -0.488 . . . . 74.14 111.049 179.897 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -71.57 -41.57 68.86 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.324 -0.398 . . . . 71.22 111.102 179.923 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -58.08 -35.68 71.73 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.232 -0.44 . . . . 74.5 110.891 179.962 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 41.6 mt -51.97 -44.11 63.85 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.199 -0.455 . . . . 73.34 110.901 179.945 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 22.4 m-85 -74.03 -22.14 59.68 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.208 -0.451 . . . . 73.15 110.854 179.913 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 5.1 tt0 -61.61 -41.26 97.21 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.157 -0.474 . . . . 63.53 110.88 -179.936 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 4.6 mt-10 -75.51 -30.46 59.81 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.109 -0.496 . . . . 72.2 110.934 -179.918 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 15' ' ' TRP . . . . . . . . . . . . . 21.3 m0 -54.01 -56.11 21.02 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.105 -0.498 . . . . 74.32 110.9 -179.973 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 8.3 ptmt -68.47 -41.36 80.28 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.3 -0.409 . . . . 70.51 110.94 179.918 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -54.95 -52.07 64.17 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.215 -0.448 . . . . 74.13 110.87 179.874 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 5.6 mt -59.99 -35.13 74.35 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.266 -0.425 . . . . 73.45 110.953 179.937 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -73.15 -30.24 63.44 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.136 -0.484 . . . . 74.52 111.055 179.82 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 1.4 mm-40 -58.1 -49.48 76.8 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.211 -0.45 . . . . 64.22 110.896 -179.899 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 1.3 mm-40 -74.23 -48.54 28.12 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.165 -0.471 . . . . 62.32 110.823 -179.898 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -56.71 -30.58 63.64 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.178 -0.464 . . . . 75.53 111.136 179.93 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -70.77 -54.41 11.79 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.217 -0.447 . . . . 74.01 111.086 179.978 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 4.2 ptmt -62.49 -35.55 79.7 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.228 -0.442 . . . . 75.1 110.861 -179.988 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 7.2 mt -76.89 -36.71 56.5 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.206 -0.452 . . . . 73.53 110.834 179.988 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -50.24 -55.32 15.79 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.258 -0.428 . . . . 74.21 110.85 179.946 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 1.6 pt-20 -82.15 -7.82 59.63 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.273 -0.421 . . . . 72.21 110.82 -179.997 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . 54.74 24.38 32.78 Favored Glycine 0 N--CA 1.452 -0.281 0 C-N-CA 120.735 -0.745 . . . . 73.32 112.461 179.966 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . 94.32 12.59 55.94 Favored Glycine 0 N--CA 1.45 -0.407 0 C-N-CA 120.726 -0.75 . . . . 64.14 112.522 -179.884 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . -137.54 -116.11 1.45 Allowed Glycine 0 N--CA 1.451 -0.326 0 C-N-CA 120.796 -0.716 . . . . 73.41 112.524 -179.956 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . 76.62 116.48 0.14 Allowed Glycine 0 N--CA 1.452 -0.285 0 C-N-CA 120.73 -0.748 . . . . 74.32 112.483 -179.897 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . 51.87 48.48 51.11 Favored Glycine 0 N--CA 1.452 -0.291 0 C-N-CA 120.807 -0.711 . . . . 75.02 112.458 -179.916 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . 79.37 -57.51 4.42 Favored Glycine 0 N--CA 1.451 -0.335 0 C-N-CA 120.739 -0.743 . . . . 75.3 112.423 -179.955 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . -123.43 -53.52 0.2 Allowed Glycine 0 N--CA 1.451 -0.365 0 C-N-CA 120.778 -0.725 . . . . 73.53 112.467 -179.894 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 168.95 34.56 0.02 OUTLIER Glycine 0 N--CA 1.452 -0.281 0 C-N-CA 120.683 -0.77 . . . . 61.02 112.458 -179.834 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 26.2 tt0 -76.66 -27.96 55.81 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 120.848 0.356 . . . . 63.44 110.892 -179.88 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 3.4 mt -77.22 -59.04 2.94 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.179 -0.464 . . . . 72.21 110.918 179.992 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 38' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -55.07 -26.82 40.34 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.169 -0.469 . . . . 75.32 110.921 179.793 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -57.11 -28.16 62.43 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.191 -0.458 . . . . 75.31 110.906 179.923 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 3.3 mt -74.37 -43.53 56.1 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 116.223 -0.444 . . . . 71.21 110.889 179.923 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 41' ' ' CYS . . . . . . . . . . . . . 17.9 m -75.02 -27.96 60.29 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.224 -0.444 . . . . 73.04 110.884 179.917 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 70.5 tt0 -55.57 -25.51 38.43 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.15 -0.477 . . . . 71.13 110.934 -179.877 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 3.7 mm-40 -54.58 -28.6 47.26 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.122 -0.49 . . . . 75.2 110.872 -179.972 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -52.03 -44.93 64.44 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.187 -0.46 . . . . 70.01 111.113 179.908 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -75.25 -24.64 57.67 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.239 -0.437 . . . . 73.03 111.114 179.914 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -73.94 -48.44 30.56 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.228 -0.442 . . . . 75.51 110.892 179.996 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 4.8 mttm -57.26 -36.76 71.37 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.159 -0.473 . . . . 72.22 110.9 179.909 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -58.44 -36.73 74.11 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.207 -0.451 . . . . 72.43 111.129 179.794 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 17.2 tt0 -76.88 -36.19 56.91 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.31 -0.404 . . . . 73.2 110.901 -179.985 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 1.8 mm-40 -69.44 -45.28 69.51 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.097 -0.501 . . . . 75.22 110.901 -179.885 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 4.5 pp -72.39 -23.73 61.15 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.18 -0.464 . . . . 73.02 110.945 179.95 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 52' ' ' PHE . . . . . . . . . . . . . 90.1 t80 -56.44 -23.93 41.97 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.235 -0.438 . . . . 75.21 110.869 179.945 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -52.2 -42.82 63.82 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.174 -0.467 . . . . 73.35 110.904 179.926 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 54' ' ' LEU . . . . . . . . . . . . . 62.5 mt -64.17 -29.03 70.17 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.199 -0.455 . . . . 75.24 110.854 179.983 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -55.39 -29.12 57.89 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.239 -0.437 . . . . 74.34 111.102 179.786 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 3.9 mt-10 -77.66 -24.74 49.34 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.255 -0.43 . . . . 75.55 110.846 -179.861 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 25.8 mm-40 -63.28 -47.63 81.54 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.179 -0.464 . . . . 72.43 110.812 -179.924 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -79.05 -22.19 45.72 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.173 -0.467 . . . . 74.43 110.877 -179.892 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 59' ' ' LEU . . . . . . . . . . . . . 2.0 tt -84.15 -69.02 0.67 Allowed 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.236 -0.438 . . . . 74.24 110.926 -179.998 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -112.73 -175.98 2.8 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.172 -0.467 . . . . 74.12 110.936 179.827 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 1.9 pttt -91.35 -31.04 16.22 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.289 -0.414 . . . . 75.14 110.902 179.862 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER . . . . . 0 C--N 1.328 -0.343 0 CA-C-N 116.228 -0.442 . . . . 73.4 110.905 179.92 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 1' ' ' MET . . . . . . . . . . . . . 4.1 mtt . . . . . 0 C--O 1.231 0.122 0 CA-C-O 120.83 0.348 . . . . 74.15 110.911 . . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' B' B ' 2' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -123.18 143.47 50.0 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.199 -0.455 . . . . 73.14 110.943 179.922 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' B' B ' 3' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -142.45 -70.84 0.33 Allowed 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.231 -0.441 . . . . 73.42 110.917 179.84 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' B' B ' 4' ' ' LEU . . . . . . . . . . . . . 1.7 pt? -134.82 7.38 3.48 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.294 -0.412 . . . . 73.3 110.907 179.909 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 5' ' ' ARG . . . . . . . . . . . . . 2.5 mtt-85 -70.45 -31.93 69.3 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.175 -0.466 . . . . 75.31 110.896 179.959 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 6' ' ' GLU . . . . . . . . . . . . . 19.9 pt-20 -51.8 -26.62 10.13 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.125 -0.488 . . . . 65.54 110.892 -179.936 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 7' ' ' GLU . . . . . . . . . . . . . 2.5 pp20? -53.14 -33.37 52.12 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.162 -0.472 . . . . 61.41 110.853 -179.936 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 8' ' ' ALA . . . . . . . . . . . . . . . -76.7 -26.92 55.23 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.149 -0.478 . . . . 73.41 111.144 179.902 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 9' ' ' ALA . . . . . . . . . . . . . . . -60.69 -44.23 96.77 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.224 -0.444 . . . . 75.45 111.096 179.911 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 10' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -55.64 -37.03 67.66 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.238 -0.437 . . . . 72.42 110.909 179.986 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' B' B ' 11' ' ' LEU . . . . . . . . . . . . . 25.4 mt -52.75 -42.83 65.32 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.181 -0.463 . . . . 73.34 110.867 179.925 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 12' ' ' PHE . . . . . . . . . . . . . 24.5 m-85 -71.99 -23.53 61.43 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.232 -0.44 . . . . 72.24 110.916 179.952 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 13' ' ' GLU . . . . . . . . . . . . . 5.1 tt0 -60.93 -40.38 93.02 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.104 -0.498 . . . . 62.44 110.882 -179.958 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 14' ' ' GLU . . . . . . . . . . . . . 4.6 mt-10 -75.62 -31.49 59.91 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.139 -0.482 . . . . 71.23 110.928 -179.927 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 15' ' ' TRP . . . . . . . . . . . . . 18.1 m0 -54.0 -56.06 21.41 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.082 -0.508 . . . . 74.5 110.871 -179.897 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 16' ' ' LYS . . . . . . . . . . . . . 8.3 ptmt -67.71 -39.75 84.33 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.307 -0.406 . . . . 70.11 110.93 179.885 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 17' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -56.54 -50.55 71.53 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.244 -0.435 . . . . 73.4 110.838 179.933 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' B' B ' 18' ' ' LEU . . . . . . . . . . . . . 5.4 mt -56.09 -38.28 70.5 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.249 -0.432 . . . . 72.13 110.945 179.894 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 19' ' ' ALA . . . . . . . . . . . . . . . -73.1 -32.33 64.9 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.256 -0.429 . . . . 53.04 111.118 179.755 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 20' ' ' GLU . . . . . . . . . . . . . 1.4 mm-40 -58.12 -49.31 77.42 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.223 -0.444 . . . . 73.32 110.883 -179.968 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 21' ' ' GLU . . . . . . . . . . . . . 1.3 mm-40 -74.23 -48.64 27.53 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.122 -0.49 . . . . 63.22 110.853 -179.851 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 22' ' ' ALA . . . . . . . . . . . . . . . -56.57 -30.94 63.73 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.173 -0.467 . . . . 73.31 111.153 179.872 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 23' ' ' ALA . . . . . . . . . . . . . . . -71.19 -54.44 10.98 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.161 -0.472 . . . . 73.55 111.043 179.978 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 24' ' ' LYS . . . . . . . . . . . . . 4.3 ptmt -62.17 -35.42 78.77 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.258 -0.428 . . . . 71.2 110.869 -179.989 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 25' ' ' LEU . . . . . . . . . . . . . 6.9 mt -76.82 -38.15 54.42 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.267 -0.424 . . . . 74.41 110.912 179.965 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 26' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -50.18 -51.61 42.42 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.231 -0.44 . . . . 72.51 110.886 179.845 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' B' B ' 27' ' ' GLU . . . . . . . . . . . . . 1.6 pt-20 -81.31 -13.94 57.87 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.241 -0.436 . . . . 73.23 110.867 179.951 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 28' ' ' GLY . . . . . . . . . . . . . . . 53.14 26.15 27.3 Favored Glycine 0 N--CA 1.45 -0.376 0 C-N-CA 120.789 -0.72 . . . . 62.34 112.44 179.998 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 29' ' ' GLY . . . . . . . . . . . . . . . 92.23 42.24 4.67 Favored Glycine 0 N--CA 1.452 -0.288 0 C-N-CA 120.71 -0.757 . . . . 65.12 112.429 -179.978 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 30' ' ' GLY . . . . . . . . . . . . . . . -105.84 -110.4 3.49 Favored Glycine 0 N--CA 1.452 -0.281 0 C-N-CA 120.688 -0.767 . . . . 44.14 112.457 -179.904 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 31' ' ' GLY . . . . . . . . . . . . . . . 89.08 131.86 4.25 Favored Glycine 0 N--CA 1.452 -0.291 0 C-N-CA 120.76 -0.733 . . . . 53.11 112.44 -179.891 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 32' ' ' GLY . . . . . . . . . . . . . . . 63.19 76.37 0.28 Allowed Glycine 0 N--CA 1.452 -0.276 0 C-N-CA 120.705 -0.76 . . . . 72.42 112.453 -179.96 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 33' ' ' GLY . . . . . . . . . . . . . . . 99.74 -35.23 4.88 Favored Glycine 0 N--CA 1.451 -0.347 0 C-N-CA 120.773 -0.727 . . . . 73.33 112.56 -179.934 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 34' ' ' GLY . . . . . . . . . . . . . . . -105.98 -18.97 10.62 Favored Glycine 0 N--CA 1.451 -0.308 0 C-N-CA 120.738 -0.744 . . . . 64.45 112.436 -179.923 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 35' ' ' GLY . . . . . . . . . . . . . . . -160.22 25.41 0.3 Allowed Glycine 0 N--CA 1.451 -0.33 0 C-N-CA 120.662 -0.78 . . . . 73.42 112.434 -179.923 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 36' ' ' GLU . . . . . . . . . . . . . 21.4 tt0 -76.15 -21.46 56.55 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 120.872 0.368 . . . . 75.14 110.9 -179.895 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 37' ' ' LEU . . . . . . . . . . . . . 1.6 mt -71.45 -51.57 23.12 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.137 -0.483 . . . . 73.53 110.944 179.932 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 38' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -54.97 -24.6 24.78 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.19 -0.459 . . . . 74.43 110.839 179.848 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' B' B ' 39' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -53.42 -28.81 31.85 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.273 -0.421 . . . . 71.24 110.882 179.982 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' B' B ' 40' ' ' LEU . . . . . . . . . . . . . 3.3 mt -74.08 -35.53 64.23 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.182 -0.463 . . . . 73.32 110.842 -179.994 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 41' ' ' CYS . . . . . . . . . . . . . 16.4 m -75.2 -33.6 61.43 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.212 -0.449 . . . . 75.35 110.832 -179.984 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 42' ' ' GLU . . . . . . . . . . . . . 70.5 tt0 -55.52 -25.94 40.25 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.24 -0.436 . . . . 65.25 110.871 -179.896 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 43' ' ' GLU . . . . . . . . . . . . . 3.8 mm-40 -54.96 -25.64 31.02 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.192 -0.458 . . . . 72.21 110.866 -179.938 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 44' ' ' ALA . . . . . . . . . . . . . . . -51.87 -43.66 63.38 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.146 -0.479 . . . . 63.2 111.119 179.971 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 45' ' ' ALA . . . . . . . . . . . . . . . -75.09 -22.89 57.99 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.263 -0.426 . . . . 74.11 111.055 179.95 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 46' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -70.19 -47.19 62.59 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.231 -0.441 . . . . 72.31 110.905 179.941 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' B' B ' 47' ' ' LYS . . . . . . . . . . . . . 4.8 mttm -58.28 -37.31 74.74 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.227 -0.442 . . . . 63.5 110.911 179.912 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 48' ' ' ALA . . . . . . . . . . . . . . . -56.53 -34.16 66.76 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.229 -0.442 . . . . 60.15 111.107 179.796 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 49' ' ' GLU . . . . . . . . . . . . . 17.2 tt0 -76.36 -31.33 58.0 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.167 -0.469 . . . . 75.21 110.897 -179.948 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 50' ' ' GLU . . . . . . . . . . . . . 1.8 mm-40 -65.56 -46.46 79.4 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.188 -0.46 . . . . 73.33 110.955 -179.968 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 51' ' ' LEU . . . . . . . . . . . . . 4.6 pp -73.07 -29.81 63.22 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.081 -0.509 . . . . 75.33 110.912 179.982 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 52' ' ' PHE . . . . . . . . . . . . . 89.1 t80 -65.2 -23.9 67.21 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.222 -0.444 . . . . 74.41 110.855 179.987 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 53' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -51.66 -58.83 5.25 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.136 -0.484 . . . . 75.22 110.933 179.959 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' B' B ' 54' ' ' LEU . . . . . . . . . . . . . 70.4 mt -75.11 -24.41 58.08 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.166 -0.47 . . . . 73.23 110.873 179.934 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 55' ' ' ALA . . . . . . . . . . . . . . . -58.04 -24.86 60.05 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.297 -0.411 . . . . 74.11 111.106 179.805 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 56' ' ' GLU . . . . . . . . . . . . . 3.3 mt-10 -75.81 -26.41 57.23 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.145 -0.479 . . . . 74.44 110.909 -179.969 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 57' ' ' GLU . . . . . . . . . . . . . 25.4 mm-40 -65.12 -49.65 69.12 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.154 -0.475 . . . . 75.22 110.936 -179.923 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 58' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -78.9 -17.94 54.7 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.226 -0.443 . . . . 62.44 110.834 -179.918 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' B' B ' 59' ' ' LEU . . . . . . . . . . . . . 20.5 mt -88.5 -74.99 0.44 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.177 -0.465 . . . . 74.51 110.947 -179.941 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 60' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -105.35 -175.41 2.79 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.158 -0.473 . . . . 74.21 110.908 179.795 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' B' B ' 61' ' ' LYS . . . . . . . . . . . . . 1.9 pttt -90.04 -31.42 17.18 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.24 -0.436 . . . . 72.24 110.877 179.853 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 62' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER . . . . . 0 C--N 1.328 -0.339 0 CA-C-N 116.267 -0.424 . . . . 75.42 110.827 179.885 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 101' ' ' HLT . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 C--O 1.232 0.164 0 CA-C-O 120.854 0.359 . . . . 73.34 110.921 . . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 3.3 tptt -174.11 158.68 3.1 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.283 -0.417 . . . . 75.02 110.924 179.891 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 7.4 mttp -140.57 -40.72 0.41 Allowed 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.17 -0.468 . . . . 74.04 110.951 179.881 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 4.4 mm? -64.92 -47.28 78.31 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.194 -0.457 . . . . 75.13 110.877 179.921 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 3.8 mtp180 -72.2 -40.7 67.65 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.202 -0.453 . . . . 74.44 110.865 179.963 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 5.0 tt0 -54.27 -29.39 46.91 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.177 -0.465 . . . . 64.33 110.901 -179.911 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 1.2 mm-40 -53.86 -45.97 71.12 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.081 -0.509 . . . . 70.03 110.86 -179.915 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -58.76 -28.23 65.7 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.141 -0.481 . . . . 75.43 111.112 179.948 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -74.25 -42.78 59.13 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.204 -0.453 . . . . 70.43 111.138 179.915 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 7.1 mtpt -58.3 -32.86 68.86 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.187 -0.46 . . . . 71.42 110.898 179.914 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 72.9 mt -52.04 -43.32 63.69 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.227 -0.442 . . . . 74.13 110.923 179.937 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 24.5 m-85 -74.19 -26.28 60.18 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.19 -0.459 . . . . 71.13 110.894 179.916 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 1.1 tt0 -59.51 -35.3 73.89 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.108 -0.496 . . . . 62.1 110.911 -179.957 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 4.9 mt-10 -74.93 -30.23 61.19 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.092 -0.504 . . . . 75.43 110.897 -179.906 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 15' ' ' TRP . . . . . . . . . . . . . 12.4 m0 -61.95 -50.73 70.96 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.154 -0.476 . . . . 73.52 110.882 -179.918 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -75.06 -24.73 58.26 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.198 -0.455 . . . . 73.04 110.918 179.903 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 8.5 mmtp -73.12 -56.77 4.66 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.242 -0.435 . . . . 73.34 110.859 179.917 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 12.1 mt -54.91 -39.45 68.79 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.237 -0.438 . . . . 75.53 110.891 179.95 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -57.47 -23.18 48.33 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.174 -0.466 . . . . 74.51 111.107 179.784 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -73.19 -49.3 28.81 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.245 -0.434 . . . . 71.04 110.869 -179.896 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 1.4 mm-40 -73.53 -50.23 22.46 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.204 -0.453 . . . . 61.32 110.867 -179.918 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -54.85 -30.52 57.82 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.163 -0.471 . . . . 73.33 111.09 179.957 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -71.0 -54.22 12.0 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.2 -0.454 . . . . 73.22 111.103 179.944 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 4.9 ptpt -63.67 -34.29 77.53 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.237 -0.438 . . . . 75.2 110.919 179.976 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 5.9 mt -76.66 -38.92 53.75 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.24 -0.436 . . . . 74.14 110.886 179.949 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 4.9 mt -50.43 -51.91 42.43 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.174 -0.467 . . . . 74.4 110.939 179.854 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 9.6 mt-10 -78.99 -11.79 60.02 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.148 -0.478 . . . . 74.44 110.899 179.94 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . 64.29 20.58 65.43 Favored Glycine 0 N--CA 1.452 -0.283 0 C-N-CA 120.746 -0.74 . . . . 51.31 112.51 -179.933 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . 61.0 19.47 56.75 Favored Glycine 0 N--CA 1.452 -0.274 0 C-N-CA 120.718 -0.753 . . . . 75.31 112.513 -179.913 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . 141.62 55.45 0.04 OUTLIER Glycine 0 N--CA 1.452 -0.285 0 C-N-CA 120.787 -0.721 . . . . 72.54 112.497 -179.951 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . -156.24 175.61 33.88 Favored Glycine 0 N--CA 1.45 -0.381 0 C-N-CA 120.743 -0.742 . . . . 71.53 112.518 -179.907 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . 52.18 -152.53 6.61 Favored Glycine 0 N--CA 1.451 -0.31 0 C-N-CA 120.706 -0.759 . . . . 72.33 112.469 -179.975 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -64.2 -65.99 2.73 Favored Glycine 0 N--CA 1.451 -0.343 0 C-N-CA 120.764 -0.731 . . . . 63.23 112.546 -179.963 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 66.16 149.71 0.1 OUTLIER Glycine 0 N--CA 1.452 -0.28 0 C-N-CA 120.734 -0.746 . . . . 54.52 112.448 -179.936 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 129.31 -155.75 20.95 Favored Glycine 0 N--CA 1.451 -0.331 0 C-N-CA 120.697 -0.763 . . . . 74.2 112.476 -179.945 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 30.3 tt0 -64.34 -29.74 70.81 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.898 0.38 . . . . 73.52 110.86 -179.904 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 2.1 pp -51.94 -35.4 45.79 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.138 -0.483 . . . . 72.21 110.922 -179.974 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 38' ' ' MET . . . . . . . . . . . . . 2.6 ttp -73.13 -35.2 66.48 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.173 -0.467 . . . . 74.44 110.883 179.903 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 29.4 tttt -53.9 -30.58 46.72 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.18 -0.463 . . . . 74.04 110.89 179.921 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -53.79 -57.7 9.91 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.235 -0.438 . . . . 73.11 110.891 179.932 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 41' ' ' CYS . . . . . . . . . . . . . 31.7 m -64.29 -35.21 80.12 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.245 -0.434 . . . . 75.11 110.879 179.917 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 28.7 tt0 -55.65 -26.28 43.64 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 116.224 -0.444 . . . . 74.11 110.927 -179.894 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 3.5 mm-40 -55.5 -26.16 41.25 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.097 -0.502 . . . . 72.43 110.892 -179.877 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -52.84 -45.51 67.37 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.188 -0.46 . . . . 55.23 111.101 179.95 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -75.27 -23.12 57.39 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.254 -0.43 . . . . 53.53 111.096 179.965 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -74.93 -48.57 23.84 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.163 -0.472 . . . . 74.25 110.943 179.903 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 13.5 mttt -73.91 -51.28 16.64 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.212 -0.449 . . . . 73.11 110.873 179.884 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -52.55 -28.41 20.68 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.279 -0.419 . . . . 74.01 111.119 179.804 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 1.6 tt0 -77.19 -36.19 55.13 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.224 -0.444 . . . . 73.52 110.888 -179.93 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 2.5 mt-10 -74.78 -52.78 10.55 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.18 -0.464 . . . . 72.04 110.903 -179.971 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 4.6 pp -61.69 -19.54 62.46 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.116 -0.493 . . . . 71.1 110.855 -179.947 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 52' ' ' PHE . . . . . . . . . . . . . 18.7 t80 -52.35 -23.58 6.14 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.204 -0.453 . . . . 72.53 110.867 179.989 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 1.2 ptpm? -52.82 -40.16 63.06 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.213 -0.449 . . . . 75.31 110.923 179.963 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 54' ' ' LEU . . . . . . . . . . . . . 4.9 tp -55.52 -22.05 19.57 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.219 -0.446 . . . . 74.53 110.85 179.962 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -68.03 -24.64 65.12 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.247 -0.433 . . . . 65.24 111.156 179.783 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 1.3 mt-10 -76.43 -27.07 56.1 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.197 -0.456 . . . . 64.42 110.836 -179.926 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 3.9 mm-40 -62.84 -49.66 74.03 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.195 -0.457 . . . . 70.42 110.883 -179.934 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -78.88 -18.9 53.16 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.192 -0.458 . . . . 74.45 110.833 -179.862 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 59' ' ' LEU . . . . . . . . . . . . . 23.5 tp -87.77 -77.54 0.34 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.154 -0.476 . . . . 73.11 110.956 179.944 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -101.12 -175.35 2.85 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.183 -0.462 . . . . 73.35 110.957 179.792 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -120.42 69.28 0.86 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.238 -0.437 . . . . 74.45 110.865 179.865 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 71.5 mt . . . . . 0 C--N 1.328 -0.33 0 CA-C-N 116.286 -0.415 . . . . 72.52 110.948 179.887 . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' B' B ' 1' ' ' MET . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 C--O 1.231 0.108 0 CA-C-O 120.838 0.352 . . . . 75.3 110.884 . . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 2' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -173.23 149.11 1.74 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.183 -0.462 . . . . 72.01 110.874 179.882 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' B' B ' 3' ' ' LYS . . . . . . . . . . . . . 7.7 mttp -171.65 -50.68 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.187 -0.46 . . . . 74.1 110.86 179.863 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 4' ' ' LEU . . . . . . . . . . . . . 4.2 mm? -94.45 -23.11 17.87 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.253 -0.43 . . . . 75.42 110.909 179.966 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 5' ' ' ARG . . . . . . . . . . . . . 3.1 mtp180 -65.41 -40.6 93.58 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.194 -0.457 . . . . 73.03 110.87 179.934 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 6' ' ' GLU . . . . . . . . . . . . . 4.9 tt0 -56.95 -33.05 66.63 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.13 -0.487 . . . . 65.24 110.91 -179.893 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 7' ' ' GLU . . . . . . . . . . . . . 1.2 mm-40 -53.96 -45.3 71.28 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.185 -0.461 . . . . 74.43 110.867 -179.96 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 8' ' ' ALA . . . . . . . . . . . . . . . -58.5 -27.14 64.19 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.169 -0.468 . . . . 71.33 111.07 179.969 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 9' ' ' ALA . . . . . . . . . . . . . . . -74.2 -42.58 59.58 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.248 -0.433 . . . . 62.31 111.114 179.929 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 10' ' ' LYS . . . . . . . . . . . . . 6.9 mtpt -60.3 -32.38 71.16 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.244 -0.434 . . . . 75.33 110.859 -179.994 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 11' ' ' LEU . . . . . . . . . . . . . 78.3 mt -51.88 -44.02 63.54 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.265 -0.425 . . . . 74.15 110.898 179.904 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 12' ' ' PHE . . . . . . . . . . . . . 23.7 m-85 -74.13 -26.0 60.08 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.193 -0.458 . . . . 74.23 110.883 179.959 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 13' ' ' GLU . . . . . . . . . . . . . 1.1 tt0 -59.45 -35.22 73.64 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.171 -0.468 . . . . 73.52 110.886 -179.93 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 14' ' ' GLU . . . . . . . . . . . . . 4.9 mt-10 -74.98 -30.23 61.12 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.13 -0.486 . . . . 70.12 110.899 -179.938 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 15' ' ' TRP . . . . . . . . . . . . . 12.2 m0 -61.75 -50.55 71.93 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 116.13 -0.487 . . . . 73.15 110.909 -179.979 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 16' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -75.57 -24.56 56.65 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.211 -0.449 . . . . 70.05 110.918 179.9 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' B' B ' 17' ' ' LYS . . . . . . . . . . . . . 8.6 mmtp -73.09 -56.56 4.94 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.247 -0.433 . . . . 75.41 110.909 179.821 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 18' ' ' LEU . . . . . . . . . . . . . 12.2 mt -54.77 -39.66 68.61 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.22 -0.446 . . . . 75.01 110.889 179.886 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 19' ' ' ALA . . . . . . . . . . . . . . . -57.62 -23.46 51.2 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.233 -0.44 . . . . 64.13 111.126 179.783 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 20' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -73.25 -49.44 27.75 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.211 -0.449 . . . . 74.21 110.91 -179.945 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' B' B ' 21' ' ' GLU . . . . . . . . . . . . . 1.4 mm-40 -73.6 -50.15 22.6 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.119 -0.491 . . . . 73.2 110.844 -179.88 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 22' ' ' ALA . . . . . . . . . . . . . . . -54.87 -30.38 57.73 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.182 -0.463 . . . . 63.24 111.111 179.946 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 23' ' ' ALA . . . . . . . . . . . . . . . -71.04 -54.32 11.6 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.211 -0.449 . . . . 51.3 111.049 179.899 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 24' ' ' LYS . . . . . . . . . . . . . 4.8 ptpt -63.6 -34.37 77.66 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.24 -0.436 . . . . 75.4 110.858 -179.972 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 25' ' ' LEU . . . . . . . . . . . . . 5.8 mt -76.61 -38.98 53.87 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.195 -0.457 . . . . 74.33 110.932 179.956 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 26' ' ' LEU . . . . . . . . . . . . . 4.9 mt -50.55 -51.8 44.71 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.198 -0.456 . . . . 72.23 110.893 179.891 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 27' ' ' GLU . . . . . . . . . . . . . 9.5 mt-10 -78.94 -11.82 60.01 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.229 -0.441 . . . . 63.31 110.88 179.904 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 28' ' ' GLY . . . . . . . . . . . . . . . 64.1 20.56 65.0 Favored Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.761 -0.733 . . . . 71.42 112.498 -179.96 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 29' ' ' GLY . . . . . . . . . . . . . . . 61.04 19.54 56.91 Favored Glycine 0 N--CA 1.45 -0.387 0 C-N-CA 120.774 -0.727 . . . . 73.05 112.528 -179.887 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 30' ' ' GLY . . . . . . . . . . . . . . . 141.62 55.33 0.04 OUTLIER Glycine 0 N--CA 1.45 -0.368 0 C-N-CA 120.82 -0.705 . . . . 52.11 112.538 -179.89 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 31' ' ' GLY . . . . . . . . . . . . . . . -156.41 175.55 34.03 Favored Glycine 0 N--CA 1.451 -0.325 0 C-N-CA 120.78 -0.724 . . . . 75.1 112.563 -179.925 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 32' ' ' GLY . . . . . . . . . . . . . . . 52.23 -152.43 6.77 Favored Glycine 0 N--CA 1.451 -0.343 0 C-N-CA 120.706 -0.759 . . . . 62.2 112.564 -179.849 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 33' ' ' GLY . . . . . . . . . . . . . . . -64.35 -65.92 2.75 Favored Glycine 0 N--CA 1.452 -0.275 0 C-N-CA 120.749 -0.739 . . . . 62.4 112.485 -179.986 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 34' ' ' GLY . . . . . . . . . . . . . . . 66.16 149.84 0.1 Allowed Glycine 0 N--CA 1.45 -0.38 0 C-N-CA 120.832 -0.699 . . . . 34.43 112.507 -179.888 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 35' ' ' GLY . . . . . . . . . . . . . . . 129.09 -155.87 20.94 Favored Glycine 0 N--CA 1.451 -0.315 0 C-N-CA 120.793 -0.718 . . . . 71.33 112.463 -179.899 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 36' ' ' GLU . . . . . . . . . . . . . 30.1 tt0 -64.23 -29.77 70.85 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.874 0.369 . . . . 74.32 110.872 -179.895 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 37' ' ' LEU . . . . . . . . . . . . . 2.2 pp -51.91 -35.4 45.39 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.181 -0.463 . . . . 74.12 110.863 -179.902 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 38' ' ' MET . . . . . . . . . . . . . 2.5 ttp -73.07 -35.44 66.67 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.219 -0.446 . . . . 72.12 110.939 179.782 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 39' ' ' LYS . . . . . . . . . . . . . 29.4 tttt -53.84 -30.88 47.27 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.191 -0.459 . . . . 72.21 110.866 179.969 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 40' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -53.82 -57.65 10.14 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.262 -0.426 . . . . 75.21 110.902 179.926 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' B' B ' 41' ' ' CYS . . . . . . . . . . . . . 31.0 m -64.31 -34.55 78.39 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.242 -0.435 . . . . 71.21 110.926 179.879 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 42' ' ' GLU . . . . . . . . . . . . . 28.5 tt0 -56.3 -26.03 50.66 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.175 -0.466 . . . . 70.12 110.873 -179.86 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 43' ' ' GLU . . . . . . . . . . . . . 3.5 mm-40 -55.31 -25.94 37.53 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.131 -0.486 . . . . 75.01 110.901 -179.958 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 44' ' ' ALA . . . . . . . . . . . . . . . -52.79 -45.76 67.32 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.169 -0.469 . . . . 72.22 111.069 179.884 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 45' ' ' ALA . . . . . . . . . . . . . . . -75.08 -22.85 58.04 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.218 -0.446 . . . . 72.33 111.055 -180.0 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 46' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -75.36 -48.85 21.11 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.26 -0.427 . . . . 74.51 110.942 179.956 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' B' B ' 47' ' ' LYS . . . . . . . . . . . . . 13.9 mttt -73.74 -51.69 15.68 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.153 -0.476 . . . . 72.11 110.927 179.78 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 48' ' ' ALA . . . . . . . . . . . . . . . -52.66 -28.27 20.86 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.228 -0.442 . . . . 74.02 111.093 179.841 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 49' ' ' GLU . . . . . . . . . . . . . 1.6 tt0 -77.19 -36.85 54.64 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.187 -0.46 . . . . 74.25 110.826 -179.877 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 50' ' ' GLU . . . . . . . . . . . . . 2.5 mt-10 -74.74 -52.85 10.41 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.198 -0.456 . . . . 74.51 110.904 -179.943 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 51' ' ' LEU . . . . . . . . . . . . . 4.6 pp -61.71 -19.62 62.6 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.22 -0.445 . . . . 75.45 110.917 179.985 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 52' ' ' PHE . . . . . . . . . . . . . 18.6 t80 -52.23 -23.63 5.95 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.202 -0.454 . . . . 71.14 110.875 179.893 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 53' ' ' LYS . . . . . . . . . . . . . 1.2 ptpm? -52.64 -40.43 62.79 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.176 -0.465 . . . . 73.23 110.923 179.946 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 54' ' ' LEU . . . . . . . . . . . . . 4.9 tp -55.44 -22.02 18.59 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.181 -0.463 . . . . 74.32 110.921 179.928 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 55' ' ' ALA . . . . . . . . . . . . . . . -68.14 -24.71 65.03 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.162 -0.472 . . . . 74.42 111.068 179.781 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 56' ' ' GLU . . . . . . . . . . . . . 1.3 mt-10 -76.36 -26.96 56.23 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.232 -0.44 . . . . 73.4 110.869 -179.868 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 57' ' ' GLU . . . . . . . . . . . . . 3.9 mm-40 -63.05 -49.69 73.56 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.136 -0.484 . . . . 72.15 110.914 -179.927 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 58' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -78.72 -18.84 53.67 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.106 -0.497 . . . . 74.44 110.854 -179.91 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' B' B ' 59' ' ' LEU . . . . . . . . . . . . . 20.3 tp -87.97 -77.57 0.35 Allowed 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.215 -0.448 . . . . 73.02 110.934 -179.936 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 60' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -101.15 -175.28 2.82 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.254 -0.43 . . . . 75.34 110.911 179.779 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' B' B ' 61' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -119.95 69.07 0.84 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.243 -0.435 . . . . 75.25 110.954 179.862 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' B' B ' 62' ' ' LEU . . . . . . . . . . . . . 71.6 mt . . . . . 0 C--N 1.329 -0.285 0 CA-C-N 116.168 -0.469 . . . . 75.24 110.977 179.954 . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' A' A ' 101' ' ' HLT . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 6.2 mtm . . . . . 0 C--O 1.232 0.137 0 CA-C-O 120.789 0.328 . . . . 74.13 110.847 . . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 15.3 ptmt -94.85 -166.57 1.49 Allowed 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.263 -0.426 . . . . 75.11 110.854 179.963 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER 180.0 -52.32 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.195 -0.457 . . . . 72.13 110.854 179.878 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER 176.81 -31.85 0.0 OUTLIER 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.286 -0.416 . . . . 75.24 110.895 179.923 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -70.6 -23.67 62.61 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.234 -0.439 . . . . 71.15 110.884 179.975 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -54.22 -32.67 56.44 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.172 -0.467 . . . . 74.32 110.877 -179.937 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 8.3 mm-40 -55.15 -53.84 50.88 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.167 -0.47 . . . . 65.31 110.866 -179.936 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -53.46 -27.95 27.79 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.173 -0.467 . . . . 74.1 111.109 179.977 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -66.94 -40.54 87.6 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.193 -0.458 . . . . 71.12 111.115 179.923 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 8.8 mtmt -62.68 -32.65 73.76 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.223 -0.444 . . . . 65.35 110.935 179.947 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 59.5 mt -51.99 -44.55 64.13 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.207 -0.451 . . . . 72.34 110.885 179.92 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 28.0 m-85 -73.99 -24.42 59.6 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.161 -0.472 . . . . 75.12 110.939 179.946 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -57.75 -39.01 76.38 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 116.113 -0.494 . . . . 70.41 110.88 -179.936 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 10.0 mt-10 -75.09 -34.31 61.73 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.228 -0.442 . . . . 74.23 110.953 179.997 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 15' ' ' TRP . . . . . . . . . . . . . 23.2 m0 -53.9 -48.46 70.1 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.14 -0.482 . . . . 74.52 110.928 -179.974 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -77.15 -24.21 51.58 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.258 -0.428 . . . . 74.51 110.943 179.852 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -70.26 -47.08 62.91 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.209 -0.45 . . . . 75.43 110.928 179.851 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 3.6 mt -55.81 -32.79 63.86 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.192 -0.458 . . . . 75.12 110.899 179.907 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -69.96 -20.96 63.3 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.216 -0.447 . . . . 75.41 111.134 179.801 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 69.5 mt-10 -67.28 -49.24 65.08 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.18 -0.464 . . . . 73.5 110.9 -179.901 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 2.4 mm-40 -71.37 -32.14 68.14 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.117 -0.492 . . . . 74.22 110.923 -179.969 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -76.05 -32.94 59.56 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.128 -0.487 . . . . 70.41 111.116 179.904 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -70.95 -50.63 32.41 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.219 -0.446 . . . . 75.21 111.135 179.925 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -61.93 -37.54 85.09 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.265 -0.425 . . . . 73.53 110.945 179.925 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 12.6 mt -76.62 -38.91 53.95 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.238 -0.437 . . . . 72.54 110.899 179.899 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 2.4 mt -50.67 -43.33 57.42 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.125 -0.489 . . . . 72.32 110.915 179.957 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 9.0 mt-10 -101.61 12.83 36.54 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.181 -0.463 . . . . 73.44 110.915 179.943 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . -56.22 -17.53 17.91 Favored Glycine 0 N--CA 1.452 -0.297 0 C-N-CA 120.779 -0.724 . . . . 70.22 112.467 -179.968 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . 145.37 38.89 0.05 OUTLIER Glycine 0 N--CA 1.452 -0.262 0 C-N-CA 120.704 -0.76 . . . . 74.14 112.476 -179.866 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . -137.91 -67.06 0.05 OUTLIER Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.701 -0.762 . . . . 73.1 112.479 -179.959 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . 119.88 -54.71 0.64 Allowed Glycine 0 N--CA 1.451 -0.357 0 C-N-CA 120.755 -0.736 . . . . 75.2 112.494 -179.927 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . 52.11 -171.71 0.36 Allowed Glycine 0 N--CA 1.452 -0.297 0 C-N-CA 120.71 -0.757 . . . . 63.03 112.487 -179.951 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . 117.48 -90.09 0.5 Allowed Glycine 0 N--CA 1.451 -0.34 0 C-N-CA 120.745 -0.741 . . . . 73.21 112.484 -179.92 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 65.8 20.35 68.32 Favored Glycine 0 N--CA 1.452 -0.289 0 C-N-CA 120.749 -0.739 . . . . 71.22 112.441 -179.911 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 147.98 -145.04 13.15 Favored Glycine 0 N--CA 1.451 -0.3 0 C-N-CA 120.731 -0.747 . . . . 74.43 112.47 -179.956 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 1.8 pt-20 -74.91 -10.66 59.7 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.94 0.4 . . . . 71.4 110.907 -179.875 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -50.84 -52.66 39.26 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.112 -0.495 . . . . 75.5 110.896 -179.922 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 38' ' ' MET . . . . . . . . . . . . . 43.9 ttm -53.0 -42.04 65.21 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.14 -0.482 . . . . 62.41 110.891 179.848 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -69.36 -27.95 65.78 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.224 -0.444 . . . . 74.44 110.92 179.939 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 27.0 mt -74.01 -30.75 62.61 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.202 -0.454 . . . . 70.53 110.962 179.896 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 41' ' ' CYS . . . . . . . . . . . . . 48.4 m -62.22 -35.27 78.39 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.17 -0.468 . . . . 71.54 110.822 179.95 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -72.69 -30.25 64.08 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.191 -0.458 . . . . 75.12 110.883 -179.806 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 3.8 mm-40 -59.24 -33.9 71.57 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 116.117 -0.492 . . . . 75.41 110.95 -179.974 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -51.6 -42.54 62.02 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.116 -0.493 . . . . 73.33 111.142 179.911 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -75.18 -22.97 57.65 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.182 -0.463 . . . . 71.24 111.052 -179.998 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -77.92 -46.74 20.4 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.208 -0.451 . . . . 75.11 110.853 -179.958 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 36.6 mmtm -61.85 -53.79 51.05 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.234 -0.439 . . . . 74.02 110.86 179.86 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -58.05 -49.73 75.87 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.283 -0.417 . . . . 73.44 111.128 179.87 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 4.3 tp10 -58.76 -37.63 76.67 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.25 -0.432 . . . . 74.01 110.924 -179.98 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -73.92 -33.49 63.98 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.123 -0.49 . . . . 73.03 110.841 -179.895 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 6.0 mt -72.98 -45.11 59.81 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.218 -0.446 . . . . 70.24 110.898 -179.966 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 52' ' ' PHE . . . . . . . . . . . . . 21.2 t80 -54.34 -29.76 49.17 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.164 -0.471 . . . . 65.22 110.879 179.925 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 23.6 mmtt -61.58 -44.69 96.55 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.146 -0.479 . . . . 74.32 110.912 -179.989 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 54' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -68.71 -27.29 65.82 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.246 -0.434 . . . . 63.1 110.9 179.936 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -53.35 -27.63 24.64 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.262 -0.426 . . . . 70.52 111.078 179.803 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 6.0 tt0 -64.9 -45.7 84.82 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.218 -0.446 . . . . 74.35 110.865 -179.916 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 24.9 tt0 -66.56 -37.92 85.97 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.166 -0.47 . . . . 61.33 110.917 -179.974 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 3.2 mtp85 -78.01 -19.37 54.55 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.176 -0.466 . . . . 74.02 110.825 -179.898 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 59' ' ' LEU . . . . . . . . . . . . . 26.4 tp -99.8 -78.8 0.5 Allowed 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.213 -0.449 . . . . 74.32 110.922 -179.99 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -95.22 -174.22 3.15 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.245 -0.434 . . . . 74.42 110.943 179.826 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -99.08 86.72 3.51 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.265 -0.425 . . . . 75.33 110.949 179.829 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 1.5 tt . . . . . 0 C--N 1.328 -0.35 0 CA-C-N 116.215 -0.448 . . . . 74.14 110.939 179.907 . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' B' B ' 1' ' ' MET . . . . . . . . . . . . . 6.2 mtm . . . . . 0 C--O 1.231 0.103 0 CA-C-O 120.866 0.365 . . . . 64.35 110.843 . . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' B' B ' 2' ' ' LYS . . . . . . . . . . . . . 15.3 ptmt -95.16 -166.48 1.47 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.185 -0.461 . . . . 74.43 110.894 179.94 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 3' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -179.82 -52.42 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.254 -0.43 . . . . 73.01 110.855 179.849 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' B' B ' 4' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER 176.98 -32.05 0.0 OUTLIER 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.2 -0.455 . . . . 72.22 110.904 179.908 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' B' B ' 5' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -70.22 -24.06 63.04 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.156 -0.475 . . . . 74.1 110.916 179.895 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' B' B ' 6' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -54.12 -32.95 56.54 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.165 -0.47 . . . . 73.44 110.873 -179.919 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' B' B ' 7' ' ' GLU . . . . . . . . . . . . . 8.1 mm-40 -55.55 -54.12 48.0 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.149 -0.478 . . . . 63.32 110.946 -179.945 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 8' ' ' ALA . . . . . . . . . . . . . . . -53.48 -27.99 28.21 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.113 -0.494 . . . . 75.01 111.079 179.911 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 9' ' ' ALA . . . . . . . . . . . . . . . -67.36 -41.36 85.24 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.267 -0.424 . . . . 72.34 111.053 179.933 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 10' ' ' LYS . . . . . . . . . . . . . 9.0 mtmt -63.28 -32.37 73.76 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.256 -0.429 . . . . 74.43 110.923 179.978 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 11' ' ' LEU . . . . . . . . . . . . . 60.8 mt -51.87 -44.52 63.73 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.243 -0.435 . . . . 75.42 110.916 179.913 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 12' ' ' PHE . . . . . . . . . . . . . 28.1 m-85 -73.95 -25.12 59.78 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.144 -0.48 . . . . 73.32 110.906 179.937 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 13' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -57.34 -39.36 75.76 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.17 -0.468 . . . . 74.41 110.859 -179.937 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' B' B ' 14' ' ' GLU . . . . . . . . . . . . . 10.4 mt-10 -75.13 -34.31 61.65 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.127 -0.488 . . . . 70.11 110.847 -179.87 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 15' ' ' TRP . . . . . . . . . . . . . 20.9 m0 -53.88 -48.18 70.34 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.207 -0.451 . . . . 63.21 110.9 -179.957 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 16' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -76.97 -24.78 52.29 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.248 -0.433 . . . . 74.4 110.909 179.939 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' B' B ' 17' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -70.98 -45.37 64.16 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.2 -0.455 . . . . 75.31 110.918 179.889 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' B' B ' 18' ' ' LEU . . . . . . . . . . . . . 3.5 mt -54.66 -26.62 34.38 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.161 -0.472 . . . . 72.33 110.961 179.836 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 19' ' ' ALA . . . . . . . . . . . . . . . -62.86 -30.26 71.37 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.203 -0.453 . . . . 73.22 111.09 179.841 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 20' ' ' GLU . . . . . . . . . . . . . 65.3 mt-10 -66.98 -49.38 65.55 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.179 -0.464 . . . . 72.41 110.887 -179.917 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 21' ' ' GLU . . . . . . . . . . . . . 2.4 mm-40 -74.14 -30.96 62.54 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.188 -0.46 . . . . 64.42 110.913 -179.931 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 22' ' ' ALA . . . . . . . . . . . . . . . -75.87 -30.77 58.97 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.116 -0.493 . . . . 72.52 111.116 179.928 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 23' ' ' ALA . . . . . . . . . . . . . . . -70.93 -51.96 22.85 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.152 -0.476 . . . . 75.01 111.01 179.976 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 24' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -62.04 -37.26 84.27 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.271 -0.422 . . . . 71.24 110.918 -179.99 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' B' B ' 25' ' ' LEU . . . . . . . . . . . . . 12.5 mt -76.82 -36.74 56.68 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.145 -0.48 . . . . 74.14 110.864 179.947 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 26' ' ' LEU . . . . . . . . . . . . . 2.0 mt -50.49 -47.49 57.16 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.151 -0.477 . . . . 74.52 110.97 179.919 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 27' ' ' GLU . . . . . . . . . . . . . 9.2 mt-10 -96.81 12.3 32.59 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.161 -0.472 . . . . 75.13 110.925 179.883 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 28' ' ' GLY . . . . . . . . . . . . . . . -59.8 -13.96 27.78 Favored Glycine 0 N--CA 1.451 -0.326 0 C-N-CA 120.782 -0.723 . . . . 40.42 112.487 -179.996 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 29' ' ' GLY . . . . . . . . . . . . . . . 145.5 50.1 0.03 OUTLIER Glycine 0 N--CA 1.452 -0.288 0 C-N-CA 120.696 -0.764 . . . . 74.23 112.482 -179.873 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 30' ' ' GLY . . . . . . . . . . . . . . . -114.02 -29.6 2.76 Favored Glycine 0 N--CA 1.451 -0.325 0 C-N-CA 120.682 -0.77 . . . . 75.22 112.502 -179.919 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 31' ' ' GLY . . . . . . . . . . . . . . . 157.51 -32.61 0.53 Allowed Glycine 0 N--CA 1.451 -0.339 0 C-N-CA 120.723 -0.751 . . . . 51.43 112.482 -179.982 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 32' ' ' GLY . . . . . . . . . . . . . . . 71.93 -134.72 22.16 Favored Glycine 0 N--CA 1.451 -0.316 0 C-N-CA 120.801 -0.714 . . . . 64.52 112.473 -179.879 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 33' ' ' GLY . . . . . . . . . . . . . . . 155.46 -69.02 0.29 Allowed Glycine 0 N--CA 1.451 -0.357 0 C-N-CA 120.768 -0.73 . . . . 63.24 112.506 -179.923 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 34' ' ' GLY . . . . . . . . . . . . . . . 85.28 56.09 2.48 Favored Glycine 0 N--CA 1.451 -0.301 0 C-N-CA 120.672 -0.775 . . . . 74.2 112.445 -179.938 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 35' ' ' GLY . . . . . . . . . . . . . . . -177.75 -138.39 3.04 Favored Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 120.76 -0.734 . . . . 74.21 112.556 -179.915 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 36' ' ' GLU . . . . . . . . . . . . . 1.6 pt-20 -65.96 -15.4 62.96 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-O 120.972 0.415 . . . . 74.01 110.928 -179.912 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 37' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -53.35 -59.13 4.97 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.165 -0.47 . . . . 75.13 110.92 -179.988 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' B' B ' 38' ' ' MET . . . . . . . . . . . . . 47.4 ttm -68.36 -30.07 68.93 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.206 -0.452 . . . . 74.22 110.919 179.792 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 39' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -57.13 -30.63 64.57 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.197 -0.456 . . . . 74.11 110.926 179.911 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' B' B ' 40' ' ' LEU . . . . . . . . . . . . . 27.0 mt -71.69 -42.88 66.89 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.24 -0.436 . . . . 74.04 110.909 179.96 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 41' ' ' CYS . . . . . . . . . . . . . 32.0 m -74.94 -29.33 60.91 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.195 -0.457 . . . . 54.21 110.936 179.873 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 42' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -66.37 -25.71 66.92 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.154 -0.476 . . . . 62.24 110.876 -179.827 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' B' B ' 43' ' ' GLU . . . . . . . . . . . . . 3.6 mm-40 -54.75 -34.63 62.8 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.092 -0.504 . . . . 75.32 110.859 -179.93 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 44' ' ' ALA . . . . . . . . . . . . . . . -51.91 -42.0 62.4 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.145 -0.48 . . . . 52.51 111.068 -179.972 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 45' ' ' ALA . . . . . . . . . . . . . . . -75.18 -22.9 57.72 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.222 -0.444 . . . . 70.02 111.135 179.939 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 46' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -74.44 -45.7 44.76 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.177 -0.465 . . . . 74.31 110.858 179.968 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' B' B ' 47' ' ' LYS . . . . . . . . . . . . . 37.1 mmtm -60.87 -53.67 54.51 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.219 -0.446 . . . . 72.42 110.954 179.86 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 48' ' ' ALA . . . . . . . . . . . . . . . -59.0 -49.12 79.12 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.188 -0.46 . . . . 63.03 111.102 179.824 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 49' ' ' GLU . . . . . . . . . . . . . 4.2 tp10 -57.9 -37.15 73.48 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.202 -0.454 . . . . 72.13 110.839 -179.953 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 50' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -73.77 -32.23 63.69 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.221 -0.445 . . . . 52.15 110.908 -179.88 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' B' B ' 51' ' ' LEU . . . . . . . . . . . . . 5.6 mt -72.41 -43.93 63.18 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.124 -0.489 . . . . 72.33 110.969 179.994 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 52' ' ' PHE . . . . . . . . . . . . . 20.9 t80 -54.12 -28.13 37.7 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.179 -0.464 . . . . 74.23 110.852 179.922 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 53' ' ' LYS . . . . . . . . . . . . . 23.6 mmtt -59.92 -44.76 94.12 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.253 -0.43 . . . . 61.32 110.846 179.936 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 54' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -68.69 -25.85 65.0 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.25 -0.432 . . . . 75.13 110.976 179.93 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' B' B ' 55' ' ' ALA . . . . . . . . . . . . . . . -53.22 -27.66 23.08 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.131 -0.486 . . . . 64.54 111.128 179.75 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 56' ' ' GLU . . . . . . . . . . . . . 6.0 tt0 -64.56 -45.95 84.86 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.181 -0.463 . . . . 73.41 110.906 -179.939 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 57' ' ' GLU . . . . . . . . . . . . . 25.0 tt0 -66.47 -37.83 85.98 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.124 -0.489 . . . . 70.41 110.879 -179.898 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 58' ' ' ARG . . . . . . . . . . . . . 3.1 mtp85 -78.08 -19.16 54.74 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.179 -0.464 . . . . 65.45 110.861 -179.916 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 59' ' ' LEU . . . . . . . . . . . . . 28.6 tp -100.06 -78.73 0.51 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.188 -0.46 . . . . 71.12 110.96 -179.961 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 60' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -95.23 -174.18 3.14 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.188 -0.46 . . . . 74.54 110.905 179.784 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' B' B ' 61' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -98.98 86.82 3.55 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 116.192 -0.458 . . . . 72.04 110.89 179.878 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' B' B ' 62' ' ' LEU . . . . . . . . . . . . . 1.5 tt . . . . . 0 C--N 1.328 -0.357 0 CA-C-N 116.188 -0.46 . . . . 75.32 110.9 179.905 . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' A' A ' 101' ' ' HLT . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 3.7 ptt? . . . . . 0 C--O 1.232 0.145 0 CA-C-O 120.862 0.363 . . . . 74.45 110.836 . . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -51.83 140.52 19.3 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.269 -0.423 . . . . 75.0 110.926 179.918 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -119.53 -30.12 4.92 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.255 -0.43 . . . . 63.13 110.935 179.87 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -176.45 -31.7 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.176 -0.465 . . . . 72.13 110.914 179.896 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 37.1 mtt180 -51.4 -27.58 10.41 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.241 -0.436 . . . . 74.22 110.828 179.965 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -52.53 -26.62 13.69 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.277 -0.42 . . . . 74.25 110.878 -179.921 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 1.5 mm-40 -53.04 -36.08 60.18 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.177 -0.465 . . . . 74.34 110.866 -179.924 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -76.24 -26.98 56.56 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.108 -0.496 . . . . 75.14 111.067 179.988 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -60.82 -41.0 94.86 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.3 -0.409 . . . . 71.32 111.084 179.926 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 17.2 mtpt -55.8 -34.36 65.25 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.263 -0.426 . . . . 73.31 110.909 179.94 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 33.7 mt -52.2 -42.91 63.9 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.237 -0.438 . . . . 71.34 110.907 179.921 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 22.8 m-85 -73.99 -26.32 60.4 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.181 -0.463 . . . . 73.34 110.926 179.937 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -62.25 -48.49 79.69 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.127 -0.488 . . . . 72.3 110.977 -179.991 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 6.2 mt-10 -75.08 -27.59 59.99 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.132 -0.485 . . . . 73.1 110.857 -179.946 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 15' ' ' TRP . . . . . . . . . . . . . 0.0 OUTLIER -56.33 -55.74 29.73 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.181 -0.463 . . . . 64.05 110.904 -179.94 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 2.8 ptmt -68.92 -22.33 64.16 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.223 -0.444 . . . . 74.53 110.993 179.901 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 1.9 tttt -75.03 -43.97 50.58 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.154 -0.476 . . . . 64.54 110.908 179.834 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 3.6 mt -57.2 -23.96 51.27 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.236 -0.438 . . . . 74.54 110.895 179.941 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -72.07 -10.05 59.24 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.237 -0.438 . . . . 73.21 111.084 179.836 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 1.4 tp10 -68.77 -49.54 57.82 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.162 -0.472 . . . . 71.25 110.89 -179.908 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -53.52 -34.2 57.27 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.193 -0.458 . . . . 73.35 110.857 -179.893 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -77.42 -31.74 54.2 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.141 -0.481 . . . . 74.4 111.062 179.952 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -72.1 -46.04 58.31 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.187 -0.461 . . . . 73.41 111.155 179.941 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -67.65 -36.76 81.35 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.222 -0.445 . . . . 74.35 110.828 -179.978 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 13.0 mt -76.77 -38.32 54.29 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.248 -0.433 . . . . 75.45 110.91 179.957 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 1.3 mt -50.45 -45.91 56.29 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.169 -0.469 . . . . 74.33 110.87 179.943 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 1.1 mt-10 -98.96 12.38 36.1 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.187 -0.461 . . . . 74.32 110.873 179.939 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . -59.47 -14.26 26.8 Favored Glycine 0 N--CA 1.451 -0.32 0 C-N-CA 120.769 -0.729 . . . . 75.45 112.532 179.976 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . 137.43 43.56 0.09 OUTLIER Glycine 0 N--CA 1.451 -0.356 0 C-N-CA 120.742 -0.742 . . . . 53.15 112.485 -179.94 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . -171.04 57.9 0.18 Allowed Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 120.777 -0.725 . . . . 75.22 112.495 -179.914 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . -174.49 -120.64 0.59 Allowed Glycine 0 N--CA 1.451 -0.304 0 C-N-CA 120.807 -0.711 . . . . 73.04 112.474 -179.907 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . 59.8 29.01 66.61 Favored Glycine 0 N--CA 1.452 -0.286 0 C-N-CA 120.706 -0.759 . . . . 73.23 112.493 -179.89 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -78.07 58.88 3.95 Favored Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 120.774 -0.727 . . . . 72.44 112.518 -179.906 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 95.1 -19.23 55.15 Favored Glycine 0 N--CA 1.451 -0.302 0 C-N-CA 120.726 -0.75 . . . . 60.54 112.49 -179.899 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 97.14 -18.81 56.84 Favored Glycine 0 N--CA 1.452 -0.258 0 C-N-CA 120.775 -0.726 . . . . 71.42 112.501 -179.862 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 35.8 tt0 -56.31 -35.58 67.72 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-O 120.932 0.396 . . . . 71.01 110.918 -179.843 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 30.5 tp -56.93 -47.97 79.36 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.118 -0.492 . . . . 73.23 110.97 179.985 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 38' ' ' MET . . . . . . . . . . . . . 19.2 ttm -66.79 -31.25 71.77 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.132 -0.485 . . . . 74.44 110.878 179.816 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 9.4 tttt -61.09 -27.93 68.72 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.208 -0.451 . . . . 75.42 110.896 179.956 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 32.4 mt -67.6 -60.12 2.8 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.189 -0.459 . . . . 62.03 110.942 179.899 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 41' ' ' CYS . . . . . . . . . . . . . 16.0 p -60.66 -25.42 66.33 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.152 -0.476 . . . . 72.12 110.941 179.912 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 59.5 tt0 -61.78 -25.05 67.24 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.114 -0.494 . . . . 61.41 110.912 -179.885 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 2.1 mm-40 -54.48 -36.37 64.08 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.175 -0.466 . . . . 72.41 110.892 -179.984 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -51.31 -45.25 62.15 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.23 -0.441 . . . . 74.15 111.051 179.953 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -75.36 -22.65 57.38 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.2 -0.455 . . . . 61.43 111.14 179.909 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -76.09 -49.83 16.36 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.19 -0.459 . . . . 75.1 110.897 -179.962 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 10.6 mmpt? -65.86 -39.54 90.83 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.167 -0.469 . . . . 73.45 110.867 179.904 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -67.84 -45.84 73.5 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.288 -0.414 . . . . 73.54 111.05 179.839 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 4.6 tp10 -72.15 -27.96 62.93 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.2 -0.455 . . . . 74.53 110.849 -179.881 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 6.3 tt0 -71.23 -49.87 38.84 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.25 -0.432 . . . . 75.31 110.86 -179.958 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 4.4 pp -72.67 -33.64 66.68 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.228 -0.442 . . . . 75.25 110.963 179.982 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 52' ' ' PHE . . . . . . . . . . . . . 70.8 t80 -62.86 -29.2 70.57 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.17 -0.468 . . . . 74.32 110.892 179.91 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 7.0 mmtp -59.44 -57.94 10.77 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.136 -0.484 . . . . 75.42 110.887 179.971 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 54' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -75.3 -41.47 56.89 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.196 -0.456 . . . . 75.24 110.902 179.964 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -61.66 -25.07 67.15 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.254 -0.43 . . . . 74.41 111.084 179.804 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 3.6 tt0 -52.75 -25.22 10.55 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.257 -0.429 . . . . 73.12 110.87 -179.943 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 17.2 tt0 -76.57 -55.4 5.56 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.11 -0.495 . . . . 64.0 110.899 -179.96 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 58' ' ' ARG . . . . . 0.419 ' HD3' ' N ' ' A' ' 59' ' ' LEU . 0.0 OUTLIER -68.93 -10.95 59.96 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.189 -0.459 . . . . 71.2 110.922 -179.933 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 59' ' ' LEU . . . . . 0.419 ' N ' ' HD3' ' A' ' 58' ' ' ARG . 11.6 mt -100.87 -64.01 1.08 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.133 -0.485 . . . . 74.52 110.957 179.955 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 13.9 mmtp -88.92 -68.6 0.76 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.145 -0.48 . . . . 73.31 110.859 179.875 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 1.9 tmtt? 179.61 -60.03 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.25 -0.432 . . . . 75.51 110.873 179.858 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER . . . . . 0 C--N 1.329 -0.318 0 CA-C-N 116.213 -0.449 . . . . 75.4 110.89 179.902 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 1' ' ' MET . . . . . . . . . . . . . 3.7 ptt? . . . . . 0 C--O 1.231 0.091 0 CA-C-O 120.842 0.353 . . . . 54.35 110.857 . . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' B' B ' 2' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -51.79 141.37 17.26 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.204 -0.453 . . . . 73.44 110.895 179.892 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' B' B ' 3' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -118.75 -28.94 5.49 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.179 -0.464 . . . . 74.33 110.867 179.832 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' B' B ' 4' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -176.49 -31.76 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.229 -0.441 . . . . 72.41 110.862 179.921 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' B' B ' 5' ' ' ARG . . . . . . . . . . . . . 37.3 mtt180 -51.31 -27.63 10.01 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.248 -0.433 . . . . 73.53 110.854 179.92 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 6' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -52.5 -26.43 13.01 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.233 -0.439 . . . . 64.5 110.854 -179.865 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' B' B ' 7' ' ' GLU . . . . . . . . . . . . . 1.5 mm-40 -52.94 -34.28 54.76 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.106 -0.497 . . . . 73.51 110.885 -179.946 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 8' ' ' ALA . . . . . . . . . . . . . . . -76.05 -27.97 57.47 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.129 -0.487 . . . . 71.34 111.074 179.961 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 9' ' ' ALA . . . . . . . . . . . . . . . -60.51 -40.2 90.57 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.295 -0.412 . . . . 72.52 111.078 179.979 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 10' ' ' LYS . . . . . . . . . . . . . 17.2 mtpt -55.76 -34.33 65.12 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.141 -0.481 . . . . 74.15 110.948 179.973 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 11' ' ' LEU . . . . . . . . . . . . . 32.4 mt -52.62 -42.98 65.1 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.257 -0.429 . . . . 72.44 110.931 179.879 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 12' ' ' PHE . . . . . . . . . . . . . 18.1 m-85 -74.16 -24.61 59.42 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.192 -0.458 . . . . 75.42 110.893 179.882 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 13' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -53.71 -38.04 63.87 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.214 -0.448 . . . . 73.14 110.885 -179.924 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' B' B ' 14' ' ' GLU . . . . . . . . . . . . . 5.4 mt-10 -66.23 -26.59 67.44 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.113 -0.494 . . . . 73.22 110.851 -179.894 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 15' ' ' TRP . . . . . . . . . . . . . 3.2 t90 -63.07 -56.2 18.99 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.169 -0.469 . . . . 73.12 110.945 179.998 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 16' ' ' LYS . . . . . . . . . . . . . 2.8 ptmt -71.19 -25.43 62.52 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.261 -0.427 . . . . 75.35 110.925 179.908 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 17' ' ' LYS . . . . . . . . . . . . . 4.0 tttt -75.15 -62.71 1.46 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.187 -0.46 . . . . 75.52 110.858 179.909 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 18' ' ' LEU . . . . . . . . . . . . . 3.3 mt -57.95 -24.46 58.06 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.241 -0.436 . . . . 71.31 110.926 179.935 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 19' ' ' ALA . . . . . . . . . . . . . . . -73.85 -10.06 59.28 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.223 -0.444 . . . . 75.34 111.133 179.76 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 20' ' ' GLU . . . . . . . . . . . . . 1.4 tp10 -72.97 -49.45 29.07 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.226 -0.443 . . . . 73.44 110.88 -179.875 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 21' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -53.57 -34.22 57.53 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.162 -0.472 . . . . 73.12 110.875 -179.946 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' B' B ' 22' ' ' ALA . . . . . . . . . . . . . . . -77.78 -32.02 52.28 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.163 -0.472 . . . . 64.34 111.123 179.869 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 23' ' ' ALA . . . . . . . . . . . . . . . -71.23 -46.52 60.95 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.236 -0.438 . . . . 51.42 111.099 179.899 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 24' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -67.44 -36.91 82.14 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.183 -0.462 . . . . 74.55 110.943 179.969 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' B' B ' 25' ' ' LEU . . . . . . . . . . . . . 13.5 mt -76.76 -37.64 55.54 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.236 -0.438 . . . . 75.42 110.907 179.894 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 26' ' ' LEU . . . . . . . . . . . . . 1.2 mt -50.37 -47.24 56.23 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.19 -0.459 . . . . 74.5 110.965 179.877 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 27' ' ' GLU . . . . . . . . . . . . . 1.1 mt-10 -100.01 12.32 37.14 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.157 -0.474 . . . . 73.31 110.872 179.962 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 28' ' ' GLY . . . . . . . . . . . . . . . -59.34 -14.5 26.97 Favored Glycine 0 N--CA 1.451 -0.333 0 C-N-CA 120.805 -0.712 . . . . 71.24 112.506 179.977 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 29' ' ' GLY . . . . . . . . . . . . . . . 135.04 43.79 0.11 Allowed Glycine 0 N--CA 1.451 -0.326 0 C-N-CA 120.774 -0.727 . . . . 64.04 112.5 -179.911 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 30' ' ' GLY . . . . . . . . . . . . . . . -170.81 62.47 0.17 Allowed Glycine 0 N--CA 1.45 -0.383 0 C-N-CA 120.723 -0.751 . . . . 74.13 112.478 -179.957 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 31' ' ' GLY . . . . . . . . . . . . . . . -171.61 -125.4 0.82 Allowed Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.682 -0.77 . . . . 64.14 112.408 -179.89 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 32' ' ' GLY . . . . . . . . . . . . . . . 56.48 27.97 54.93 Favored Glycine 0 N--CA 1.452 -0.287 0 C-N-CA 120.731 -0.747 . . . . 73.5 112.483 -179.925 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 33' ' ' GLY . . . . . . . . . . . . . . . -79.02 57.67 4.33 Favored Glycine 0 N--CA 1.451 -0.34 0 C-N-CA 120.748 -0.739 . . . . 71.11 112.5 -179.89 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 34' ' ' GLY . . . . . . . . . . . . . . . 92.72 -21.55 38.37 Favored Glycine 0 N--CA 1.451 -0.306 0 C-N-CA 120.72 -0.753 . . . . 73.05 112.489 -179.893 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 35' ' ' GLY . . . . . . . . . . . . . . . 95.9 -20.61 49.14 Favored Glycine 0 N--CA 1.45 -0.405 0 C-N-CA 120.805 -0.712 . . . . 75.53 112.482 -179.922 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 36' ' ' GLU . . . . . . . . . . . . . 35.7 tt0 -58.0 -39.28 77.89 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-O 120.867 0.365 . . . . 73.13 110.93 -179.886 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 37' ' ' LEU . . . . . . . . . . . . . 14.1 tp -59.54 -48.3 82.17 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.186 -0.461 . . . . 74.0 110.873 -179.998 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 38' ' ' MET . . . . . . . . . . . . . 25.6 ttm -66.15 -32.49 73.96 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.171 -0.468 . . . . 73.34 110.853 179.903 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 39' ' ' LYS . . . . . . . . . . . . . 9.4 tttt -58.37 -30.97 67.2 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.225 -0.443 . . . . 74.31 110.901 179.898 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 40' ' ' LEU . . . . . . . . . . . . . 24.9 mt -67.65 -60.53 2.47 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 116.194 -0.457 . . . . 74.51 110.887 179.961 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 41' ' ' CYS . . . . . . . . . . . . . 18.6 p -64.79 -24.15 67.46 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.201 -0.454 . . . . 74.24 110.895 179.916 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 42' ' ' GLU . . . . . . . . . . . . . 59.7 tt0 -66.43 -25.76 66.9 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.242 -0.436 . . . . 65.42 110.89 -179.881 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 43' ' ' GLU . . . . . . . . . . . . . 1.9 mm-40 -54.65 -44.57 73.37 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.063 -0.517 . . . . 74.14 110.846 -179.919 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 44' ' ' ALA . . . . . . . . . . . . . . . -51.43 -43.97 62.18 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.151 -0.477 . . . . 53.41 111.151 179.993 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 45' ' ' ALA . . . . . . . . . . . . . . . -75.73 -22.46 56.54 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.159 -0.473 . . . . 54.54 111.058 179.924 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 46' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -76.14 -48.49 20.4 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.297 -0.41 . . . . 74.4 110.902 179.987 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' B' B ' 47' ' ' LYS . . . . . . . . . . . . . 10.6 mmpt? -61.83 -38.73 89.28 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.183 -0.462 . . . . 74.14 110.9 179.835 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 48' ' ' ALA . . . . . . . . . . . . . . . -68.81 -45.07 72.21 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.189 -0.459 . . . . 65.51 111.142 179.788 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 49' ' ' GLU . . . . . . . . . . . . . 4.6 tp10 -70.51 -28.03 64.65 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.291 -0.413 . . . . 74.24 110.84 -179.94 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 50' ' ' GLU . . . . . . . . . . . . . 6.3 tt0 -73.21 -48.73 32.62 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.189 -0.46 . . . . 72.31 110.898 -179.862 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 51' ' ' LEU . . . . . . . . . . . . . 4.4 pp -71.17 -33.05 69.65 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.103 -0.499 . . . . 63.24 110.887 -179.979 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 52' ' ' PHE . . . . . . . . . . . . . 69.8 t80 -64.56 -29.55 70.57 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 121.031 0.443 . . . . 75.04 110.932 179.901 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 53' ' ' LYS . . . . . . . . . . . . . 7.8 mmtp -60.7 -55.86 28.19 Favored 'General case' 0 C--N 1.33 -0.283 0 CA-C-N 116.205 -0.452 . . . . 75.04 110.89 179.921 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 54' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -75.17 -41.54 57.82 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.244 -0.434 . . . . 73.43 110.887 179.98 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' B' B ' 55' ' ' ALA . . . . . . . . . . . . . . . -62.69 -25.14 68.01 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.182 -0.463 . . . . 71.5 111.058 179.836 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 56' ' ' GLU . . . . . . . . . . . . . 3.9 tt0 -53.33 -25.2 14.2 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.202 -0.453 . . . . 63.12 110.902 -179.917 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 57' ' ' GLU . . . . . . . . . . . . . 18.0 tt0 -76.36 -55.4 5.59 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.153 -0.476 . . . . 74.22 110.861 -179.9 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 58' ' ' ARG . . . . . 0.417 ' HD3' ' N ' ' B' ' 59' ' ' LEU . 0.0 OUTLIER -68.54 -11.06 59.4 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.174 -0.466 . . . . 75.14 110.878 -179.915 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' B' B ' 59' ' ' LEU . . . . . 0.417 ' N ' ' HD3' ' B' ' 58' ' ' ARG . 11.6 mt -100.63 -64.43 1.05 Allowed 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 116.192 -0.458 . . . . 74.11 110.986 179.997 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' B' B ' 60' ' ' LYS . . . . . . . . . . . . . 13.0 mmtp -88.64 -68.55 0.76 Allowed 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.197 -0.456 . . . . 75.35 110.927 179.82 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 61' ' ' LYS . . . . . . . . . . . . . 2.0 tmtt? 179.61 -60.28 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.167 -0.47 . . . . 74.41 110.906 179.815 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 62' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER . . . . . 0 C--N 1.329 -0.312 0 CA-C-N 116.194 -0.457 . . . . 64.42 110.887 179.927 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 101' ' ' HLT . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 11.1 ttp . . . . . 0 C--O 1.232 0.152 0 CA-C-O 120.841 0.353 . . . . 62.01 110.888 . . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -114.27 -74.4 0.62 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.312 -0.404 . . . . 73.51 110.897 179.955 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -145.06 -74.89 0.23 Allowed 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.222 -0.444 . . . . 75.33 110.931 179.879 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -140.93 4.74 1.9 Allowed 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.227 -0.442 . . . . 74.12 110.906 179.931 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 3.5 mtt-85 -72.01 -30.45 65.24 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.188 -0.46 . . . . 75.32 110.846 179.956 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -55.29 -26.63 41.53 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.211 -0.45 . . . . 74.44 110.918 -179.968 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 18.5 pt-20 -53.74 -32.17 51.21 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.117 -0.492 . . . . 74.21 110.89 -179.924 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -74.9 -28.27 60.56 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.165 -0.471 . . . . 62.32 111.123 179.918 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -74.2 -38.0 63.73 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.194 -0.457 . . . . 72.31 111.102 179.922 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 1.6 mtpt -62.37 -30.45 71.2 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.28 -0.418 . . . . 70.15 110.896 179.957 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 60.4 mt -51.92 -44.66 63.95 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.222 -0.444 . . . . 73.54 110.885 179.925 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 22.5 m-85 -74.09 -27.07 60.71 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.232 -0.44 . . . . 73.4 110.891 179.891 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -54.01 -33.11 56.27 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.202 -0.453 . . . . 73.14 110.842 -179.886 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 12.4 mt-10 -69.22 -35.7 76.45 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.172 -0.467 . . . . 74.1 110.926 -179.962 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 15' ' ' TRP . . . . . . . . . . . . . 4.2 t90 -64.74 -43.82 92.1 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.202 -0.454 . . . . 74.45 110.905 -179.985 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 5.3 ptmt -77.25 -28.17 53.5 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.286 -0.416 . . . . 72.23 110.879 179.918 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 19.3 mmtt -74.97 -54.62 6.88 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.187 -0.461 . . . . 72.42 110.921 179.904 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 21.6 mt -54.78 -33.61 61.6 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.192 -0.458 . . . . 72.11 110.952 179.904 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -65.94 -26.85 67.77 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.189 -0.46 . . . . 74.04 111.085 179.829 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 1.4 tp10 -73.48 -49.4 26.91 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.206 -0.452 . . . . 70.25 110.923 -179.961 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 2.0 mm-40 -73.07 -49.65 27.39 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.164 -0.471 . . . . 60.02 110.906 -179.957 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -55.6 -30.67 61.3 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.162 -0.472 . . . . 73.05 111.161 179.907 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -71.1 -54.26 11.72 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.183 -0.462 . . . . 75.2 111.084 179.958 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 1.4 ptpp? -63.06 -34.47 77.65 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.255 -0.429 . . . . 75.52 110.871 179.981 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 6.4 mt -76.79 -39.18 52.38 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.265 -0.425 . . . . 73.24 110.897 179.95 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 2.8 mt -50.69 -49.32 57.7 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.169 -0.469 . . . . 72.42 110.945 179.893 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 23.9 mt-10 -91.39 13.19 18.19 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.233 -0.44 . . . . 73.41 110.847 179.939 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . -73.9 60.51 2.15 Favored Glycine 0 N--CA 1.451 -0.336 0 C-N-CA 120.778 -0.725 . . . . 52.1 112.534 179.989 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . 51.71 39.82 47.32 Favored Glycine 0 N--CA 1.451 -0.339 0 C-N-CA 120.777 -0.725 . . . . 51.12 112.468 -179.911 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . -90.29 -51.21 2.8 Favored Glycine 0 N--CA 1.45 -0.38 0 C-N-CA 120.711 -0.757 . . . . 72.44 112.539 -179.921 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . -158.84 -47.6 0.01 OUTLIER Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 120.736 -0.745 . . . . 51.02 112.438 -179.924 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . -173.49 -110.75 0.25 Allowed Glycine 0 N--CA 1.451 -0.316 0 C-N-CA 120.753 -0.737 . . . . 72.24 112.517 -179.921 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . 74.32 116.65 0.09 OUTLIER Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 120.693 -0.765 . . . . 43.54 112.541 -179.854 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 169.49 85.16 0.06 OUTLIER Glycine 0 N--CA 1.451 -0.341 0 C-N-CA 120.706 -0.759 . . . . 74.33 112.458 -179.874 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 143.59 -132.52 4.98 Favored Glycine 0 N--CA 1.452 -0.285 0 C-N-CA 120.691 -0.766 . . . . 74.33 112.485 -179.865 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -71.09 -35.79 71.97 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-O 120.849 0.356 . . . . 72.43 110.849 -179.842 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 13.1 tp -52.39 -56.67 13.4 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.146 -0.479 . . . . 74.42 110.934 179.992 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 38' ' ' MET . . . . . . . . . . . . . 1.0 OUTLIER -70.54 -25.56 63.16 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.16 -0.473 . . . . 62.2 110.892 179.844 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 6.3 tttp -54.12 -28.09 37.51 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.279 -0.419 . . . . 75.24 110.885 179.943 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 13.1 mt -70.46 -31.34 68.45 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.211 -0.449 . . . . 63.55 110.911 179.921 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 41' ' ' CYS . . . . . . . . . . . . . 19.0 m -75.04 -45.42 41.75 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.165 -0.47 . . . . 72.2 110.872 179.92 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 4.6 tt0 -56.69 -25.66 54.68 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.248 -0.433 . . . . 71.53 110.868 -179.846 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 4.7 mm-40 -54.71 -33.97 61.73 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.196 -0.456 . . . . 73.52 110.9 -179.92 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -51.61 -42.11 61.75 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.171 -0.468 . . . . 72.41 111.106 179.897 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -75.27 -22.85 57.49 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.157 -0.474 . . . . 73.42 111.095 179.95 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -74.49 -47.89 30.53 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.223 -0.444 . . . . 75.14 110.921 179.932 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 1.1 mptp? -59.82 -57.18 14.03 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.182 -0.463 . . . . 75.55 110.852 179.908 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -51.91 -34.89 43.51 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.282 -0.417 . . . . 70.31 111.042 179.839 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 4.0 tt0 -65.13 -44.33 89.03 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.199 -0.455 . . . . 75.41 110.9 -179.865 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 17.9 mm-40 -74.07 -35.13 64.23 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.125 -0.489 . . . . 72.3 110.901 -179.918 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 9.2 mt -72.64 -34.1 67.05 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.116 -0.493 . . . . 74.33 110.862 -179.959 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 52' ' ' PHE . . . . . . . . . . . . . 84.2 t80 -55.69 -27.98 53.16 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.152 -0.476 . . . . 75.2 110.897 179.953 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -53.48 -46.76 70.1 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.167 -0.469 . . . . 74.23 110.949 179.942 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 54' ' ' LEU . . . . . . . . . . . . . 1.6 mm? -71.89 -29.39 64.29 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.212 -0.449 . . . . 62.33 110.88 179.891 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -54.24 -28.67 42.96 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.158 -0.474 . . . . 75.51 111.133 179.836 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 3.2 mm-40 -77.14 -31.29 55.58 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.237 -0.438 . . . . 74.4 110.878 -179.919 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -60.78 -44.54 96.65 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.159 -0.473 . . . . 74.23 110.935 -179.971 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -79.29 -25.62 42.4 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.136 -0.484 . . . . 73.21 110.901 -179.964 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 59' ' ' LEU . . . . . . . . . . . . . 3.4 tm? -84.03 -73.64 0.41 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.117 -0.492 . . . . 74.32 110.926 -179.999 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -103.49 -174.85 2.64 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.174 -0.466 . . . . 75.15 110.909 179.831 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 8.1 ttpt -98.62 -25.52 14.69 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.214 -0.448 . . . . 74.53 110.915 179.858 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER . . . . . 0 C--N 1.328 -0.356 0 CA-C-N 116.219 -0.446 . . . . 74.05 110.904 179.894 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 1' ' ' MET . . . . . . . . . . . . . 11.1 ttp . . . . . 0 C--O 1.231 0.083 0 CA-C-O 120.901 0.381 . . . . 74.42 110.865 . . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' B' B ' 2' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -114.24 -74.4 0.62 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.162 -0.472 . . . . 74.33 110.847 179.969 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' B' B ' 3' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -146.06 -74.58 0.22 Allowed 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.311 -0.404 . . . . 75.12 110.9 179.902 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' B' B ' 4' ' ' LEU . . . . . 0.4 ' CD2' ' O ' ' B' ' 4' ' ' LEU . 0.0 OUTLIER -140.71 4.86 1.95 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.25 -0.432 . . . . 72.3 110.877 179.946 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' B' B ' 5' ' ' ARG . . . . . . . . . . . . . 3.5 mtt-85 -72.04 -29.88 64.62 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.195 -0.457 . . . . 75.31 110.828 179.973 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 6' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -54.88 -26.96 39.11 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.219 -0.446 . . . . 75.33 110.867 -179.964 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' B' B ' 7' ' ' GLU . . . . . . . . . . . . . 18.8 pt-20 -54.01 -32.61 54.76 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.107 -0.497 . . . . 73.33 110.869 -179.913 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 8' ' ' ALA . . . . . . . . . . . . . . . -74.74 -26.81 60.04 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.151 -0.477 . . . . 72.44 111.092 179.92 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 9' ' ' ALA . . . . . . . . . . . . . . . -73.6 -38.96 64.94 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.265 -0.425 . . . . 72.04 111.122 179.955 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 10' ' ' LYS . . . . . . . . . . . . . 1.6 mtpt -63.11 -29.81 71.1 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.176 -0.465 . . . . 72.11 110.906 179.933 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 11' ' ' LEU . . . . . . . . . . . . . 61.0 mt -51.67 -44.11 62.93 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.252 -0.431 . . . . 74.25 110.957 179.872 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 12' ' ' PHE . . . . . . . . . . . . . 25.3 m-85 -74.21 -30.5 62.23 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.191 -0.459 . . . . 74.13 110.91 179.873 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 13' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -57.89 -42.21 84.16 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.134 -0.485 . . . . 73.21 110.912 -179.949 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' B' B ' 14' ' ' GLU . . . . . . . . . . . . . 12.7 mt-10 -75.22 -29.99 60.44 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.142 -0.481 . . . . 74.25 110.83 -179.93 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 15' ' ' TRP . . . . . . . . . . . . . 1.3 m0 -60.98 -46.15 91.93 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.216 -0.447 . . . . 73.53 110.947 -179.922 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 16' ' ' LYS . . . . . . . . . . . . . 5.1 ptmt -77.11 -25.32 52.05 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.222 -0.444 . . . . 74.42 110.852 179.901 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 17' ' ' LYS . . . . . . . . . . . . . 18.0 mmtt -71.7 -52.37 18.15 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.278 -0.419 . . . . 74.43 110.896 179.936 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 18' ' ' LEU . . . . . . . . . . . . . 19.7 mt -55.16 -32.62 62.28 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.236 -0.438 . . . . 74.31 110.928 179.889 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 19' ' ' ALA . . . . . . . . . . . . . . . -62.86 -21.86 66.28 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.219 -0.446 . . . . 71.44 111.178 179.75 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 20' ' ' GLU . . . . . . . . . . . . . 1.4 tp10 -73.02 -49.43 28.85 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.182 -0.463 . . . . 65.53 110.95 -179.973 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 21' ' ' GLU . . . . . . . . . . . . . 2.0 mm-40 -72.27 -49.21 36.6 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.118 -0.492 . . . . 74.23 110.925 -179.947 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 22' ' ' ALA . . . . . . . . . . . . . . . -56.39 -30.92 63.34 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.065 -0.516 . . . . 70.12 111.163 179.873 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 23' ' ' ALA . . . . . . . . . . . . . . . -70.96 -54.22 12.08 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.186 -0.461 . . . . 62.45 111.033 179.937 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 24' ' ' LYS . . . . . . . . . . . . . 1.4 ptpp? -62.74 -34.97 78.3 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.253 -0.43 . . . . 75.42 110.889 -179.996 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 25' ' ' LEU . . . . . . . . . . . . . 6.7 mt -76.51 -39.06 54.14 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.249 -0.432 . . . . 71.55 110.974 179.885 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 26' ' ' LEU . . . . . . . . . . . . . 2.7 mt -50.72 -49.07 58.57 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.173 -0.467 . . . . 71.12 110.915 179.92 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 27' ' ' GLU . . . . . . . . . . . . . 23.9 mt-10 -91.37 13.09 18.44 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.236 -0.438 . . . . 75.31 110.912 179.893 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 28' ' ' GLY . . . . . . . . . . . . . . . -73.9 60.62 2.15 Favored Glycine 0 N--CA 1.451 -0.332 0 C-N-CA 120.696 -0.764 . . . . 75.24 112.573 -179.958 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 29' ' ' GLY . . . . . . . . . . . . . . . 52.03 39.7 49.64 Favored Glycine 0 N--CA 1.451 -0.352 0 C-N-CA 120.704 -0.76 . . . . 54.24 112.467 -179.974 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 30' ' ' GLY . . . . . . . . . . . . . . . -90.34 -48.89 3.39 Favored Glycine 0 N--CA 1.451 -0.33 0 C-N-CA 120.8 -0.714 . . . . 62.44 112.469 -179.838 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 31' ' ' GLY . . . . . . . . . . . . . . . -156.67 -46.42 0.01 OUTLIER Glycine 0 N--CA 1.452 -0.296 0 C-N-CA 120.699 -0.763 . . . . 64.23 112.454 -179.93 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 32' ' ' GLY . . . . . . . . . . . . . . . -172.82 -111.92 0.27 Allowed Glycine 0 N--CA 1.451 -0.325 0 C-N-CA 120.694 -0.765 . . . . 74.23 112.445 -179.884 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 33' ' ' GLY . . . . . . . . . . . . . . . 73.46 116.84 0.07 OUTLIER Glycine 0 N--CA 1.451 -0.33 0 C-N-CA 120.753 -0.737 . . . . 72.42 112.562 -179.856 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 34' ' ' GLY . . . . . . . . . . . . . . . 169.57 84.53 0.06 OUTLIER Glycine 0 N--CA 1.451 -0.348 0 C-N-CA 120.758 -0.734 . . . . 71.55 112.469 -179.83 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 35' ' ' GLY . . . . . . . . . . . . . . . 142.72 -132.1 4.93 Favored Glycine 0 N--CA 1.45 -0.385 0 C-N-CA 120.726 -0.75 . . . . 62.22 112.431 -179.951 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 36' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -70.71 -34.74 72.26 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-O 120.917 0.389 . . . . 74.04 110.877 -179.837 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' B' B ' 37' ' ' LEU . . . . . . . . . . . . . 13.1 tp -52.08 -55.06 23.14 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.12 -0.491 . . . . 73.35 110.939 179.995 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 38' ' ' MET . . . . . . . . . . . . . 1.0 OUTLIER -69.72 -26.37 64.3 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.187 -0.46 . . . . 71.43 110.931 179.818 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' B' B ' 39' ' ' LYS . . . . . . . . . . . . . 6.2 tttp -55.19 -29.02 57.06 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.2 -0.454 . . . . 73.43 110.884 179.871 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 40' ' ' LEU . . . . . . . . . . . . . 13.3 mt -72.27 -26.76 62.11 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.223 -0.444 . . . . 73.21 110.966 179.962 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 41' ' ' CYS . . . . . . . . . . . . . 13.5 m -75.26 -43.58 50.61 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.187 -0.46 . . . . 74.02 110.839 179.873 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 42' ' ' GLU . . . . . . . . . . . . . 4.6 tt0 -55.69 -25.3 39.13 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.22 -0.445 . . . . 74.34 110.837 -179.842 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 43' ' ' GLU . . . . . . . . . . . . . 4.5 mm-40 -54.38 -33.41 59.16 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.154 -0.475 . . . . 74.41 110.851 -179.851 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 44' ' ' ALA . . . . . . . . . . . . . . . -51.41 -42.52 61.52 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.153 -0.476 . . . . 73.33 111.051 179.961 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 45' ' ' ALA . . . . . . . . . . . . . . . -75.47 -22.94 56.84 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.257 -0.429 . . . . 64.3 111.108 179.976 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 46' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -78.04 -49.51 13.87 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.25 -0.432 . . . . 75.25 110.961 179.919 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' B' B ' 47' ' ' LYS . . . . . . . . . . . . . 1.1 mptp? -55.73 -61.17 2.54 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.263 -0.426 . . . . 74.11 110.822 179.835 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 48' ' ' ALA . . . . . . . . . . . . . . . -54.62 -34.33 61.92 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.294 -0.412 . . . . 71.21 111.142 179.859 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 49' ' ' GLU . . . . . . . . . . . . . 3.9 tt0 -66.89 -43.0 84.58 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.215 -0.448 . . . . 71.12 110.823 -179.864 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 50' ' ' GLU . . . . . . . . . . . . . 18.0 mm-40 -73.03 -36.16 66.91 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.191 -0.459 . . . . 74.45 110.852 -179.911 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 51' ' ' LEU . . . . . . . . . . . . . 7.6 mt -72.97 -30.57 63.93 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.222 -0.445 . . . . 65.33 110.965 179.977 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 52' ' ' PHE . . . . . . . . . . . . . 82.1 t80 -57.12 -23.91 50.39 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.173 -0.467 . . . . 75.52 110.887 179.943 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 53' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -66.43 -47.94 71.59 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.178 -0.465 . . . . 75.3 110.961 179.912 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' B' B ' 54' ' ' LEU . . . . . . . . . . . . . 1.3 mm? -69.29 -25.59 64.32 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.259 -0.428 . . . . 74.33 110.932 179.864 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 55' ' ' ALA . . . . . . . . . . . . . . . -55.35 -26.95 44.06 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.207 -0.451 . . . . 75.11 111.078 179.762 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 56' ' ' GLU . . . . . . . . . . . . . 3.2 mm-40 -76.46 -30.85 57.49 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.205 -0.452 . . . . 74.32 110.872 -179.895 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 57' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -60.57 -44.62 95.99 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.168 -0.469 . . . . 73.54 110.872 -179.931 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' B' B ' 58' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -79.39 -25.67 42.1 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.154 -0.475 . . . . 64.21 110.857 -179.899 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' B' B ' 59' ' ' LEU . . . . . . . . . . . . . 3.4 tm? -83.93 -73.36 0.42 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.19 -0.459 . . . . 74.42 110.933 -179.942 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 60' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -103.66 -174.77 2.62 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.165 -0.47 . . . . 70.05 110.848 179.839 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' B' B ' 61' ' ' LYS . . . . . . . . . . . . . 8.1 ttpt -98.33 -25.45 14.83 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.203 -0.453 . . . . 74.04 110.832 179.886 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 62' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER . . . . . 0 C--N 1.328 -0.357 0 CA-C-N 116.243 -0.435 . . . . 74.21 110.914 179.962 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 101' ' ' HLT . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 016 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 0.9 OUTLIER . . . . . 0 C--O 1.231 0.079 0 CA-C-O 120.837 0.351 . . . . 71.31 110.827 . . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 2' ' ' LYS . . . . . 0.408 ' HB3' ' HE2' ' A' ' 6' ' ' GLU . 4.0 pttt -174.29 162.06 3.57 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.183 -0.462 . . . . 75.15 110.946 179.966 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -137.32 -74.42 0.42 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.229 -0.441 . . . . 75.34 110.838 179.866 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 4' ' ' LEU . . . . . 0.403 ' O ' ' CD2' ' A' ' 4' ' ' LEU . 0.0 OUTLIER -140.51 4.57 1.97 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.282 -0.417 . . . . 72.15 110.916 179.982 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 97.4 mtt180 -71.59 -38.63 70.87 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.218 -0.447 . . . . 75.05 110.868 179.945 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 6' ' ' GLU . . . . . 0.408 ' HE2' ' HB3' ' A' ' 2' ' ' LYS . 0.2 OUTLIER -53.63 -27.95 30.07 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.148 -0.478 . . . . 71.44 110.845 -179.894 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 16.9 mt-10 -53.81 -34.09 58.08 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.183 -0.462 . . . . 70.24 110.903 -179.959 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -76.12 -26.99 56.91 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.201 -0.454 . . . . 63.04 111.064 179.966 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -57.17 -42.26 80.8 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.183 -0.462 . . . . 74.13 111.063 179.974 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 11.8 mttm -55.88 -34.66 65.71 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.177 -0.465 . . . . 73.32 110.871 -179.998 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 35.5 mt -52.1 -43.73 64.07 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.258 -0.428 . . . . 73.03 110.946 179.939 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 21.6 m-85 -74.13 -24.66 59.47 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.185 -0.461 . . . . 74.31 110.913 179.912 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -53.58 -35.01 60.35 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.076 -0.511 . . . . 75.12 110.959 -179.975 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 5.9 mt-10 -63.87 -33.86 76.65 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.111 -0.495 . . . . 74.5 110.872 -179.923 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 15' ' ' TRP . . . . . . . . . . . . . 2.8 t90 -65.09 -47.55 76.84 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.108 -0.496 . . . . 72.13 110.889 -179.962 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 4.9 ptmt -75.52 -27.37 58.69 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.209 -0.451 . . . . 74.12 110.861 179.983 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER -75.17 -58.5 3.25 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.278 -0.419 . . . . 70.21 110.924 179.875 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 17.0 mt -55.68 -26.0 42.66 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.272 -0.422 . . . . 74.44 110.905 179.915 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -71.86 -25.74 62.07 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.141 -0.481 . . . . 72.15 111.047 179.801 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 1.2 mt-10 -73.44 -49.29 27.68 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.262 -0.426 . . . . 75.55 110.871 -179.87 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 2.6 mm-40 -72.92 -51.14 19.7 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.157 -0.474 . . . . 64.22 110.874 -179.927 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -54.25 -30.63 51.05 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.14 -0.482 . . . . 65.11 111.095 179.949 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -70.82 -54.26 12.23 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.248 -0.433 . . . . 74.14 111.143 179.873 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 6.1 ptmm? -63.91 -33.84 76.62 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.196 -0.456 . . . . 72.23 110.9 179.931 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 5.6 mt -76.68 -39.89 50.66 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.228 -0.442 . . . . 75.21 110.962 179.901 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 3.1 mt -50.76 -49.8 57.2 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.186 -0.461 . . . . 74.24 110.905 179.889 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 24.8 mt-10 -90.96 12.47 19.52 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.241 -0.436 . . . . 73.23 110.832 179.954 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . -58.59 -15.21 24.62 Favored Glycine 0 N--CA 1.451 -0.341 0 C-N-CA 120.726 -0.75 . . . . 64.44 112.507 -179.952 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . 140.02 49.99 0.05 OUTLIER Glycine 0 N--CA 1.452 -0.267 0 C-N-CA 120.755 -0.736 . . . . 62.1 112.515 -179.904 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . -94.15 46.88 2.21 Favored Glycine 0 N--CA 1.452 -0.295 0 C-N-CA 120.808 -0.71 . . . . 62.03 112.542 -179.949 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . 52.03 -167.46 0.82 Allowed Glycine 0 N--CA 1.451 -0.346 0 C-N-CA 120.758 -0.734 . . . . 75.43 112.504 -179.879 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . -126.09 122.66 4.54 Favored Glycine 0 N--CA 1.451 -0.31 0 C-N-CA 120.77 -0.729 . . . . 74.13 112.498 -179.94 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -179.57 32.74 0.06 OUTLIER Glycine 0 N--CA 1.451 -0.308 0 C-N-CA 120.743 -0.741 . . . . 53.22 112.55 -179.974 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . -159.19 -65.29 0.01 OUTLIER Glycine 0 N--CA 1.452 -0.279 0 C-N-CA 120.755 -0.736 . . . . 65.31 112.492 -179.913 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 74.55 -87.25 0.72 Allowed Glycine 0 N--CA 1.45 -0.378 0 C-N-CA 120.713 -0.756 . . . . 72.33 112.483 -179.931 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 29.0 tt0 -57.78 -20.26 34.05 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.884 0.373 . . . . 72.42 110.873 -179.909 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -50.85 -27.73 8.01 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.197 -0.456 . . . . 73.23 110.94 179.979 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 38' ' ' MET . . . . . . . . . . . . . 0.6 OUTLIER -61.75 -38.94 89.83 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.235 -0.439 . . . . 74.42 110.895 179.82 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 8.6 tttt -56.63 -27.96 59.5 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.173 -0.467 . . . . 74.21 110.933 179.924 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 3.7 mt -73.99 -39.75 63.43 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.207 -0.451 . . . . 72.5 110.977 179.884 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 41' ' ' CYS . . . . . . . . . . . . . 17.2 m -72.52 -35.37 68.07 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.154 -0.476 . . . . 61.4 110.834 179.935 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -63.71 -25.46 68.21 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.191 -0.459 . . . . 74.42 110.884 -179.835 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 2.3 mt-10 -54.49 -40.88 68.94 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.215 -0.448 . . . . 70.24 110.87 -179.948 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -51.4 -42.47 61.45 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.162 -0.472 . . . . 72.0 111.163 179.875 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -75.55 -22.77 56.76 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.185 -0.461 . . . . 64.14 111.092 179.984 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 3.9 tttt -76.23 -46.61 27.35 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.192 -0.458 . . . . 75.42 110.875 179.979 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 7.2 mmpt? -54.14 -55.03 31.69 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.19 -0.459 . . . . 73.11 110.887 179.89 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -54.95 -37.99 67.17 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.19 -0.459 . . . . 73.42 111.089 179.849 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 1.1 tp10 -61.22 -40.07 92.62 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.204 -0.453 . . . . 74.2 110.874 -179.946 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 4.3 mt-10 -73.96 -43.74 57.2 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.194 -0.457 . . . . 73.35 110.903 -179.923 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 4.1 mt -62.88 -57.49 10.65 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.124 -0.489 . . . . 73.11 110.939 -179.946 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 52' ' ' PHE . . . . . . . . . . . . . 33.2 t80 -55.3 -29.4 58.16 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.162 -0.472 . . . . 74.14 110.904 179.869 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 7.7 tptp -54.55 -59.18 5.04 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.175 -0.466 . . . . 73.44 110.959 179.958 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 54' ' ' LEU . . . . . . . . . . . . . 4.4 mm? -75.57 -25.57 57.18 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.278 -0.419 . . . . 75.44 110.922 179.879 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -56.01 -31.5 63.12 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.123 -0.49 . . . . 70.34 111.081 179.814 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 1.4 mt-10 -61.9 -28.54 69.59 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.203 -0.453 . . . . 71.02 110.894 -179.93 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 71.7 tt0 -73.51 -46.41 48.02 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.165 -0.47 . . . . 71.45 110.895 -179.932 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -79.57 -13.16 59.72 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.176 -0.465 . . . . 75.54 110.878 -179.969 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 59' ' ' LEU . . . . . . . . . . . . . 46.7 mt -106.72 -6.9 17.53 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.179 -0.464 . . . . 74.23 110.912 -179.943 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -146.14 -165.58 2.25 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.172 -0.467 . . . . 74.24 110.919 179.903 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 13.8 tttt -93.36 -54.01 3.85 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.251 -0.431 . . . . 73.31 110.894 179.786 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 12.4 mt . . . . . 0 C--N 1.329 -0.318 0 CA-C-N 116.239 -0.437 . . . . 74.43 110.965 -179.971 . . . . . . . . 0 0 . 1 . 016 nuclear orig full ' B' B ' 1' ' ' MET . . . . . . . . . . . . . 0.9 OUTLIER . . . . . 0 C--O 1.231 0.083 0 CA-C-O 120.826 0.346 . . . . 72.32 110.885 . . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 2' ' ' LYS . . . . . 0.43 ' HB3' ' HE2' ' B' ' 6' ' ' GLU . 4.0 pttt -174.19 161.83 3.6 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.213 -0.449 . . . . 75.33 110.904 179.958 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' B' B ' 3' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -137.55 -74.55 0.41 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.185 -0.462 . . . . 71.44 110.851 179.842 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' B' B ' 4' ' ' LEU . . . . . 0.4 ' O ' ' CD2' ' B' ' 4' ' ' LEU . 0.0 OUTLIER -140.32 4.49 2.01 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.197 -0.456 . . . . 74.42 110.902 179.994 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' B' B ' 5' ' ' ARG . . . . . . . . . . . . . 97.3 mtt180 -71.42 -38.55 71.4 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.219 -0.446 . . . . 72.03 110.877 179.953 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 6' ' ' GLU . . . . . 0.43 ' HE2' ' HB3' ' B' ' 2' ' ' LYS . 0.3 OUTLIER -53.48 -27.92 27.89 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.142 -0.481 . . . . 71.54 110.938 -179.966 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' B' B ' 7' ' ' GLU . . . . . . . . . . . . . 16.9 mt-10 -53.72 -34.23 58.2 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.104 -0.498 . . . . 63.5 110.921 -179.964 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 8' ' ' ALA . . . . . . . . . . . . . . . -75.58 -26.97 58.35 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.144 -0.48 . . . . 73.41 111.074 179.983 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 9' ' ' ALA . . . . . . . . . . . . . . . -57.49 -42.33 82.5 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.255 -0.429 . . . . 54.3 111.132 179.97 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 10' ' ' LYS . . . . . . . . . . . . . 12.0 mttm -55.95 -33.96 65.23 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.294 -0.412 . . . . 74.51 110.934 179.92 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 11' ' ' LEU . . . . . . . . . . . . . 41.5 mt -51.67 -42.87 62.46 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.212 -0.449 . . . . 75.41 110.996 179.868 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 12' ' ' PHE . . . . . . . . . . . . . 24.8 m-85 -74.22 -29.0 61.51 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.16 -0.473 . . . . 75.5 110.952 179.887 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 13' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -58.6 -46.46 86.95 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.07 -0.514 . . . . 61.21 110.877 -179.925 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' B' B ' 14' ' ' GLU . . . . . . . . . . . . . 6.3 mt-10 -75.17 -27.99 59.9 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.175 -0.466 . . . . 74.25 110.84 -179.94 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 15' ' ' TRP . . . . . . . . . . . . . 2.6 m0 -55.84 -55.36 33.42 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.178 -0.465 . . . . 73.44 110.895 -179.89 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 16' ' ' LYS . . . . . . . . . . . . . 4.8 ptmt -71.78 -19.64 61.98 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.186 -0.461 . . . . 75.35 110.929 179.972 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 17' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -70.75 -53.79 14.19 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.176 -0.465 . . . . 71.13 110.88 179.907 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' B' B ' 18' ' ' LEU . . . . . . . . . . . . . 21.8 mt -55.8 -26.28 45.53 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.215 -0.448 . . . . 72.42 110.946 179.9 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 19' ' ' ALA . . . . . . . . . . . . . . . -72.98 -25.65 61.07 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.206 -0.452 . . . . 62.22 111.103 179.775 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 20' ' ' GLU . . . . . . . . . . . . . 1.1 mt-10 -73.19 -49.35 28.53 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.234 -0.439 . . . . 72.02 110.905 -179.933 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 21' ' ' GLU . . . . . . . . . . . . . 2.6 mm-40 -72.71 -51.16 20.43 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.137 -0.483 . . . . 70.22 110.972 179.995 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 22' ' ' ALA . . . . . . . . . . . . . . . -54.25 -30.64 51.16 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.119 -0.492 . . . . 74.15 111.109 179.933 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 23' ' ' ALA . . . . . . . . . . . . . . . -70.81 -54.23 12.38 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.197 -0.456 . . . . 64.21 111.124 179.881 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 24' ' ' LYS . . . . . . . . . . . . . 6.1 ptmm? -64.01 -33.87 76.73 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.168 -0.469 . . . . 70.34 110.912 179.943 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 25' ' ' LEU . . . . . . . . . . . . . 5.7 mt -76.7 -39.64 51.34 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.229 -0.441 . . . . 64.42 110.938 179.896 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 26' ' ' LEU . . . . . . . . . . . . . 3.0 mt -50.66 -50.18 55.28 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.231 -0.44 . . . . 72.41 110.95 179.876 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 27' ' ' GLU . . . . . . . . . . . . . 23.9 mt-10 -90.98 12.11 20.72 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.197 -0.456 . . . . 62.42 110.857 179.924 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 28' ' ' GLY . . . . . . . . . . . . . . . -58.91 -15.03 26.34 Favored Glycine 0 N--CA 1.45 -0.411 0 C-N-CA 120.768 -0.729 . . . . 74.02 112.54 -179.951 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 29' ' ' GLY . . . . . . . . . . . . . . . 135.74 42.72 0.11 Allowed Glycine 0 N--CA 1.452 -0.267 0 C-N-CA 120.729 -0.748 . . . . 72.01 112.483 -179.919 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 30' ' ' GLY . . . . . . . . . . . . . . . -101.75 54.83 0.76 Allowed Glycine 0 N--CA 1.451 -0.33 0 C-N-CA 120.697 -0.763 . . . . 74.32 112.442 -179.905 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 31' ' ' GLY . . . . . . . . . . . . . . . 58.95 -143.58 45.43 Favored Glycine 0 N--CA 1.452 -0.3 0 C-N-CA 120.777 -0.725 . . . . 63.33 112.431 -179.925 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 32' ' ' GLY . . . . . . . . . . . . . . . -100.75 119.52 6.55 Favored Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 120.732 -0.747 . . . . 53.53 112.461 -179.873 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 33' ' ' GLY . . . . . . . . . . . . . . . 174.21 34.24 0.04 OUTLIER Glycine 0 N--CA 1.452 -0.275 0 C-N-CA 120.717 -0.754 . . . . 63.05 112.525 -179.886 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 34' ' ' GLY . . . . . . . . . . . . . . . -149.03 -92.43 0.1 Allowed Glycine 0 N--CA 1.451 -0.361 0 C-N-CA 120.719 -0.753 . . . . 73.05 112.54 -179.894 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 35' ' ' GLY . . . . . . . . . . . . . . . 50.66 -124.84 20.95 Favored Glycine 0 N--CA 1.451 -0.31 0 C-N-CA 120.713 -0.756 . . . . 72.14 112.5 -179.963 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 36' ' ' GLU . . . . . . . . . . . . . 32.3 tt0 -76.39 -25.29 54.41 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-O 120.904 0.383 . . . . 70.13 110.867 -179.889 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 37' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -60.65 -22.8 64.23 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.102 -0.499 . . . . 75.23 110.93 -179.963 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' B' B ' 38' ' ' MET . . . . . . . . . . . . . 0.6 OUTLIER -55.21 -25.89 35.91 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.246 -0.434 . . . . 71.23 110.844 179.881 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' B' B ' 39' ' ' LYS . . . . . . . . . . . . . 8.8 tttt -53.64 -27.93 30.05 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.234 -0.439 . . . . 73.22 110.889 179.949 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 40' ' ' LEU . . . . . . . . . . . . . 3.7 mt -71.21 -36.12 71.78 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.217 -0.447 . . . . 65.32 110.89 179.947 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 41' ' ' CYS . . . . . . . . . . . . . 14.6 m -71.66 -34.26 69.58 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.212 -0.449 . . . . 72.41 110.867 179.941 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 42' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -59.54 -24.9 64.08 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.213 -0.449 . . . . 75.11 110.901 -179.869 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' B' B ' 43' ' ' GLU . . . . . . . . . . . . . 2.4 mt-10 -54.06 -37.43 64.17 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.126 -0.488 . . . . 73.54 110.843 -179.956 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 44' ' ' ALA . . . . . . . . . . . . . . . -51.44 -42.81 61.79 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.173 -0.467 . . . . 74.35 111.059 179.958 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 45' ' ' ALA . . . . . . . . . . . . . . . -75.59 -22.79 56.6 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.237 -0.438 . . . . 63.23 111.164 179.953 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 46' ' ' LYS . . . . . . . . . . . . . 3.9 tttt -78.06 -43.28 29.7 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.168 -0.469 . . . . 75.22 111.005 179.83 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 47' ' ' LYS . . . . . . . . . . . . . 7.3 mmpt? -54.66 -56.63 17.12 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.242 -0.435 . . . . 75.11 110.85 179.879 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 48' ' ' ALA . . . . . . . . . . . . . . . -56.8 -38.46 72.59 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.211 -0.449 . . . . 74.04 111.076 179.847 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 49' ' ' GLU . . . . . . . . . . . . . 1.1 tp10 -62.84 -41.57 99.4 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.189 -0.459 . . . . 73.55 110.895 -179.931 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 50' ' ' GLU . . . . . . . . . . . . . 4.4 mt-10 -74.11 -42.86 59.4 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.153 -0.476 . . . . 70.23 110.888 -179.92 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 51' ' ' LEU . . . . . . . . . . . . . 3.5 mt -62.14 -51.06 69.4 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.161 -0.472 . . . . 72.42 110.958 179.978 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 52' ' ' PHE . . . . . . . . . . . . . 33.1 t80 -53.94 -31.29 49.9 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.165 -0.471 . . . . 74.22 110.853 179.943 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 53' ' ' LYS . . . . . . . . . . . . . 8.0 tptp -56.51 -59.68 4.64 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.182 -0.463 . . . . 71.45 110.888 -179.975 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 54' ' ' LEU . . . . . . . . . . . . . 4.4 mm? -75.54 -24.08 56.7 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.263 -0.426 . . . . 73.11 110.928 179.884 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 55' ' ' ALA . . . . . . . . . . . . . . . -56.97 -32.6 66.22 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.199 -0.455 . . . . 62.22 111.116 179.796 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 56' ' ' GLU . . . . . . . . . . . . . 1.4 mt-10 -59.9 -28.16 67.34 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.197 -0.456 . . . . 65.03 110.869 -179.846 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 57' ' ' GLU . . . . . . . . . . . . . 71.9 tt0 -73.42 -46.88 45.94 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.147 -0.479 . . . . 72.54 110.882 -179.95 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 58' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -79.52 -12.83 59.85 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.148 -0.478 . . . . 74.04 110.919 -179.968 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' B' B ' 59' ' ' LEU . . . . . . . . . . . . . 40.3 mt -106.61 -7.29 17.47 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.17 -0.468 . . . . 71.1 110.878 -179.984 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 60' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -145.99 -165.48 2.21 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.203 -0.453 . . . . 75.52 110.92 179.804 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' B' B ' 61' ' ' LYS . . . . . . . . . . . . . 13.7 tttt -92.99 -54.49 3.71 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.237 -0.438 . . . . 72.04 110.871 179.943 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 62' ' ' LEU . . . . . . . . . . . . . 12.5 mt . . . . . 0 C--N 1.328 -0.347 0 CA-C-N 116.222 -0.444 . . . . 74.13 110.88 179.869 . . . . . . . . 0 0 . 1 . 016 nuclear orig full ' A' A ' 101' ' ' HLT . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 017 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 6.7 mtt . . . . . 0 C--O 1.231 0.088 0 CA-C-O 120.827 0.346 . . . . 73.4 110.929 . . . . . . . . . 0 0 . 1 . 017 nuclear orig full ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -153.7 -167.21 2.61 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.228 -0.442 . . . . 75.12 110.929 179.977 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -179.37 -52.17 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.258 -0.428 . . . . 74.14 110.927 179.85 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER 176.91 -31.77 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.176 -0.466 . . . . 71.33 110.875 179.872 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 7.4 mtt180 -68.72 -24.32 64.46 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.186 -0.461 . . . . 71.42 110.854 179.958 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -54.22 -26.91 31.07 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.25 -0.432 . . . . 71.12 110.822 -179.908 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 12.1 mt-10 -54.47 -31.08 55.03 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.212 -0.449 . . . . 73.42 110.844 -179.919 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -73.89 -27.06 60.87 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.238 -0.437 . . . . 71.15 111.101 179.891 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -58.16 -50.49 73.34 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.225 -0.443 . . . . 72.13 111.097 179.965 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 1.6 mtpp -55.98 -44.28 78.39 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.17 -0.468 . . . . 63.24 110.863 179.991 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 17.9 mt -51.66 -40.58 60.27 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.29 -0.414 . . . . 74.21 110.957 179.896 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 24.2 m-85 -74.32 -26.93 60.46 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.198 -0.455 . . . . 73.53 110.892 179.921 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 5.2 tt0 -53.98 -27.75 33.49 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.144 -0.48 . . . . 73.44 110.867 -179.921 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 6.9 mt-10 -73.29 -33.19 65.07 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.136 -0.484 . . . . 70.44 110.812 -179.868 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 15' ' ' TRP . . . . . . . . . . . . . 2.9 t90 -64.44 -46.08 84.7 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 116.237 -0.438 . . . . 63.44 110.951 -179.994 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -77.44 -27.93 52.33 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.174 -0.466 . . . . 73.32 110.882 179.924 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 17.1 mmtt -75.23 -62.37 1.58 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.246 -0.434 . . . . 73.31 110.919 179.857 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 3.7 mt -56.5 -24.7 48.01 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.212 -0.449 . . . . 64.42 110.913 179.943 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -72.88 -29.46 63.2 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.156 -0.475 . . . . 70.5 111.124 179.796 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 3.8 tp10 -73.32 -49.75 25.75 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.221 -0.445 . . . . 74.22 110.887 -179.964 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 9.7 pt-20 -57.42 -46.66 83.28 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.16 -0.473 . . . . 72.33 110.915 -179.943 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -63.77 -32.62 74.18 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.114 -0.494 . . . . 71.05 111.096 179.905 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -70.61 -47.99 57.35 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.267 -0.424 . . . . 71.22 111.063 179.97 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -67.2 -36.34 81.53 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.228 -0.442 . . . . 72.12 110.905 -179.997 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 10.5 mt -76.54 -37.8 56.08 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.191 -0.459 . . . . 64.43 110.974 179.909 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 4.0 mt -50.51 -49.87 54.5 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.112 -0.495 . . . . 75.15 110.884 179.888 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 40.8 mt-10 -93.55 12.47 25.09 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.224 -0.443 . . . . 70.53 110.92 179.932 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . -59.65 -14.29 28.23 Favored Glycine 0 N--CA 1.45 -0.383 0 C-N-CA 120.724 -0.751 . . . . 73.43 112.52 179.982 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . 135.13 43.66 0.11 Allowed Glycine 0 N--CA 1.45 -0.415 0 C-N-CA 120.775 -0.726 . . . . 64.13 112.517 -179.899 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . -113.52 -84.61 1.32 Allowed Glycine 0 N--CA 1.451 -0.345 0 C-N-CA 120.759 -0.734 . . . . 55.13 112.476 -179.868 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . 161.07 168.45 22.97 Favored Glycine 0 N--CA 1.45 -0.391 0 C-N-CA 120.778 -0.725 . . . . 72.23 112.464 -179.968 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . -159.08 166.98 34.78 Favored Glycine 0 N--CA 1.452 -0.296 0 C-N-CA 120.708 -0.758 . . . . 44.42 112.516 -179.87 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -112.53 117.28 4.29 Favored Glycine 0 N--CA 1.451 -0.305 0 C-N-CA 120.747 -0.739 . . . . 74.41 112.513 -179.948 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 60.37 -125.29 38.27 Favored Glycine 0 N--CA 1.451 -0.304 0 C-N-CA 120.757 -0.735 . . . . 53.21 112.54 -179.855 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . -150.02 -65.46 0.01 OUTLIER Glycine 0 N--CA 1.45 -0.421 0 C-N-CA 120.776 -0.726 . . . . 64.31 112.545 -179.922 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 41.5 tt0 -53.21 -34.88 58.92 Favored 'General case' 0 C--N 1.33 -0.283 0 CA-C-O 120.843 0.354 . . . . 72.44 110.83 -179.88 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 5.9 tp -54.8 -58.13 8.78 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.122 -0.49 . . . . 72.31 110.862 -179.935 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 38' ' ' MET . . . . . . . . . . . . . 14.1 ttm -70.95 -27.3 63.65 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.182 -0.463 . . . . 63.53 110.881 179.828 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 2.5 tttt -54.89 -28.36 49.92 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.284 -0.416 . . . . 73.11 110.916 179.944 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 8.7 mt -54.52 -42.37 70.78 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.233 -0.439 . . . . 75.22 110.863 179.922 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 41' ' ' CYS . . . . . . . . . . . . . 15.6 m -74.84 -41.19 60.35 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.178 -0.465 . . . . 63.23 110.9 179.93 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -55.54 -24.83 34.36 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.161 -0.472 . . . . 75.35 110.887 -179.833 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 1.9 mm-40 -54.5 -24.82 22.12 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.131 -0.486 . . . . 72.32 110.923 179.997 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -51.32 -44.31 61.92 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.135 -0.484 . . . . 63.53 111.091 179.949 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -75.19 -22.98 57.62 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.215 -0.448 . . . . 65.25 111.163 179.934 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 8.0 mttp -76.43 -49.9 15.49 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.181 -0.463 . . . . 75.15 110.85 179.984 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 7.0 mmtp -70.17 -26.92 64.14 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.24 -0.436 . . . . 74.12 110.923 179.858 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -67.88 -50.19 57.79 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.242 -0.436 . . . . 63.13 111.123 179.824 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 5.7 tt0 -77.27 -27.92 53.33 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.206 -0.452 . . . . 73.53 110.919 -179.994 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 62.1 tt0 -66.61 -51.25 58.39 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.178 -0.465 . . . . 71.44 110.875 -179.905 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 2.2 pp -73.31 -36.06 66.19 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.178 -0.464 . . . . 73.23 110.888 -179.952 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 52' ' ' PHE . . . . . . . . . . . . . 75.8 t80 -64.05 -24.44 67.71 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.163 -0.471 . . . . 73.15 110.87 179.952 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -65.69 -59.25 4.11 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.201 -0.454 . . . . 73.41 110.866 179.979 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 54' ' ' LEU . . . . . . . . . . . . . 4.5 mm? -75.12 -24.41 58.04 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.196 -0.456 . . . . 73.1 110.928 179.931 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -55.74 -24.98 38.24 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.127 -0.488 . . . . 72.45 111.07 179.875 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 3.6 mt-10 -77.02 -28.6 55.01 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.251 -0.432 . . . . 62.24 110.843 -179.917 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 2.6 tt0 -65.19 -44.07 89.6 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.197 -0.456 . . . . 63.13 110.944 -179.912 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 1.2 mtt180 -78.51 -29.65 46.72 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.086 -0.506 . . . . 74.41 110.915 -179.955 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 59' ' ' LEU . . . . . . . . . . . . . 5.2 mp -77.72 -64.01 1.25 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.2 -0.454 . . . . 74.01 110.962 -179.984 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -116.17 -79.09 0.58 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.244 -0.435 . . . . 70.43 110.952 179.778 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 6.0 ptmt 178.01 -35.63 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.279 -0.419 . . . . 71.42 110.877 179.779 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER . . . . . 0 C--N 1.328 -0.334 0 CA-C-N 116.265 -0.425 . . . . 64.52 110.89 179.887 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 1' ' ' MET . . . . . . . . . . . . . 6.7 mtt . . . . . 0 C--O 1.231 0.102 0 CA-C-O 120.84 0.353 . . . . 71.32 110.847 . . . . . . . . . 0 0 . 1 . 017 nuclear orig full ' B' B ' 2' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -153.62 -167.02 2.56 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.213 -0.449 . . . . 73.34 110.937 179.942 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' B' B ' 3' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -179.39 -52.17 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.277 -0.42 . . . . 73.41 110.925 179.854 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' B' B ' 4' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER 176.77 -31.57 0.0 OUTLIER 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.266 -0.425 . . . . 75.01 110.96 179.874 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' B' B ' 5' ' ' ARG . . . . . . . . . . . . . 7.5 mtt180 -68.05 -25.33 65.31 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.209 -0.45 . . . . 73.33 110.89 179.89 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 6' ' ' GLU . . . . . . . . . . . . . 1.1 mt-10 -53.96 -27.88 34.03 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.159 -0.473 . . . . 74.54 110.882 -179.928 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 7' ' ' GLU . . . . . . . . . . . . . 12.0 mt-10 -54.49 -31.06 55.2 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.166 -0.47 . . . . 64.32 110.946 -179.96 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 8' ' ' ALA . . . . . . . . . . . . . . . -73.52 -27.23 61.25 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.229 -0.441 . . . . 74.31 111.105 179.909 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 9' ' ' ALA . . . . . . . . . . . . . . . -58.36 -50.07 74.95 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.259 -0.428 . . . . 60.51 111.055 179.938 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 10' ' ' LYS . . . . . . . . . . . . . 1.5 mtpp -56.26 -43.83 79.12 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.25 -0.432 . . . . 74.31 110.943 179.94 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 11' ' ' LEU . . . . . . . . . . . . . 18.9 mt -51.58 -40.6 60.09 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.236 -0.438 . . . . 75.14 110.907 179.863 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 12' ' ' PHE . . . . . . . . . . . . . 25.6 m-85 -74.29 -27.14 60.59 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.187 -0.46 . . . . 74.4 110.865 179.983 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 13' ' ' GLU . . . . . . . . . . . . . 5.2 tt0 -55.84 -27.68 52.66 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.17 -0.468 . . . . 74.35 110.919 -179.996 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 14' ' ' GLU . . . . . . . . . . . . . 7.3 mt-10 -74.06 -34.97 64.23 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.201 -0.454 . . . . 73.32 110.875 -179.906 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 15' ' ' TRP . . . . . . . . . . . . . 5.1 t90 -63.62 -44.98 92.34 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.142 -0.481 . . . . 72.44 110.932 179.972 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 16' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -77.71 -28.58 50.95 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.314 -0.403 . . . . 74.11 110.96 179.903 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' B' B ' 17' ' ' LYS . . . . . . . . . . . . . 16.2 mmtt -74.31 -62.65 1.44 Allowed 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.187 -0.46 . . . . 74.22 110.922 179.766 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 18' ' ' LEU . . . . . . . . . . . . . 4.6 mt -56.33 -24.63 45.09 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.155 -0.475 . . . . 73.12 110.943 179.95 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 19' ' ' ALA . . . . . . . . . . . . . . . -73.03 -29.33 62.92 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.184 -0.462 . . . . 73.2 111.012 179.88 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 20' ' ' GLU . . . . . . . . . . . . . 3.8 tp10 -73.42 -49.8 25.11 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.315 -0.402 . . . . 74.44 110.889 -179.919 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 21' ' ' GLU . . . . . . . . . . . . . 9.6 pt-20 -57.05 -46.76 82.2 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 116.137 -0.483 . . . . 63.41 110.915 -179.905 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 22' ' ' ALA . . . . . . . . . . . . . . . -63.84 -32.69 74.28 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.17 -0.468 . . . . 74.12 111.041 179.96 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 23' ' ' ALA . . . . . . . . . . . . . . . -70.58 -48.15 56.71 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.21 -0.45 . . . . 73.05 111.107 179.965 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 24' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -66.95 -36.26 81.82 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.191 -0.459 . . . . 74.04 110.872 179.996 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' B' B ' 25' ' ' LEU . . . . . . . . . . . . . 10.4 mt -76.6 -38.03 55.45 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.182 -0.463 . . . . 75.32 110.916 179.958 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 26' ' ' LEU . . . . . . . . . . . . . 4.0 mt -50.56 -48.96 57.28 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.206 -0.452 . . . . 72.32 110.954 179.87 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 27' ' ' GLU . . . . . . . . . . . . . 41.9 mt-10 -93.52 12.54 24.79 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.153 -0.476 . . . . 74.41 110.877 179.9 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 28' ' ' GLY . . . . . . . . . . . . . . . -59.81 -14.13 28.62 Favored Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.716 -0.754 . . . . 63.32 112.467 -179.942 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 29' ' ' GLY . . . . . . . . . . . . . . . 135.99 43.82 0.1 Allowed Glycine 0 N--CA 1.452 -0.294 0 C-N-CA 120.676 -0.773 . . . . 64.32 112.507 -179.906 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 30' ' ' GLY . . . . . . . . . . . . . . . -113.27 -82.43 1.14 Allowed Glycine 0 N--CA 1.451 -0.343 0 C-N-CA 120.699 -0.762 . . . . 73.34 112.475 -179.868 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 31' ' ' GLY . . . . . . . . . . . . . . . 162.01 165.71 19.44 Favored Glycine 0 N--CA 1.451 -0.34 0 C-N-CA 120.76 -0.733 . . . . 74.44 112.474 -179.925 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 32' ' ' GLY . . . . . . . . . . . . . . . -160.67 167.61 35.86 Favored Glycine 0 N--CA 1.452 -0.28 0 C-N-CA 120.755 -0.735 . . . . 54.11 112.495 -179.945 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 33' ' ' GLY . . . . . . . . . . . . . . . -112.43 117.5 4.37 Favored Glycine 0 N--CA 1.452 -0.285 0 C-N-CA 120.763 -0.732 . . . . 73.5 112.499 -179.931 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 34' ' ' GLY . . . . . . . . . . . . . . . 60.8 -125.05 37.31 Favored Glycine 0 N--CA 1.451 -0.331 0 C-N-CA 120.719 -0.753 . . . . 63.15 112.499 -179.898 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 35' ' ' GLY . . . . . . . . . . . . . . . -149.28 -65.76 0.01 OUTLIER Glycine 0 N--CA 1.452 -0.294 0 C-N-CA 120.75 -0.738 . . . . 54.03 112.495 -179.933 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 36' ' ' GLU . . . . . . . . . . . . . 41.5 tt0 -53.11 -34.48 56.89 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-O 120.876 0.37 . . . . 74.14 110.919 -179.903 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 37' ' ' LEU . . . . . . . . . . . . . 6.0 tp -54.93 -56.95 13.96 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.17 -0.468 . . . . 74.31 110.898 -179.977 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 38' ' ' MET . . . . . . . . . . . . . 14.4 ttm -69.77 -26.8 64.46 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.176 -0.465 . . . . 74.11 110.925 179.781 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 39' ' ' LYS . . . . . . . . . . . . . 2.7 tttt -54.2 -28.1 38.5 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.185 -0.461 . . . . 73.44 110.843 -179.96 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 40' ' ' LEU . . . . . . . . . . . . . 8.6 mt -54.37 -41.27 68.99 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.299 -0.41 . . . . 64.02 110.916 179.875 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 41' ' ' CYS . . . . . . . . . . . . . 12.3 m -73.61 -44.5 56.93 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.177 -0.465 . . . . 73.04 110.927 179.897 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 42' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -56.05 -24.48 39.95 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.163 -0.471 . . . . 72.45 110.904 -179.856 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' B' B ' 43' ' ' GLU . . . . . . . . . . . . . 1.9 mm-40 -54.07 -25.32 21.04 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.13 -0.486 . . . . 63.14 110.954 -179.986 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 44' ' ' ALA . . . . . . . . . . . . . . . -51.38 -45.48 62.46 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.126 -0.488 . . . . 74.22 111.058 179.915 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 45' ' ' ALA . . . . . . . . . . . . . . . -75.29 -23.0 57.31 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.224 -0.444 . . . . 53.41 111.084 -179.992 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 46' ' ' LYS . . . . . . . . . . . . . 8.0 mttp -75.67 -50.8 14.35 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.209 -0.451 . . . . 72.14 110.984 179.938 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 47' ' ' LYS . . . . . . . . . . . . . 7.0 mmtp -67.67 -28.33 67.61 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.233 -0.44 . . . . 72.33 110.93 179.805 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 48' ' ' ALA . . . . . . . . . . . . . . . -68.53 -49.6 58.34 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.245 -0.434 . . . . 74.11 111.079 179.803 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 49' ' ' GLU . . . . . . . . . . . . . 5.7 tt0 -77.07 -27.93 54.44 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.226 -0.443 . . . . 74.3 110.937 -179.931 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 50' ' ' GLU . . . . . . . . . . . . . 61.8 tt0 -66.63 -51.4 56.64 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.151 -0.477 . . . . 65.03 110.837 -179.905 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 51' ' ' LEU . . . . . . . . . . . . . 2.0 pp -73.54 -35.14 65.49 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.157 -0.474 . . . . 71.21 110.942 -179.97 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 52' ' ' PHE . . . . . . . . . . . . . 76.4 t80 -62.29 -24.26 67.19 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.157 -0.474 . . . . 75.52 110.903 179.91 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 53' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -64.24 -59.46 4.38 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.133 -0.485 . . . . 74.54 110.874 179.923 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' B' B ' 54' ' ' LEU . . . . . . . . . . . . . 4.5 mm? -75.21 -23.99 57.7 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.213 -0.449 . . . . 73.32 110.92 179.889 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 55' ' ' ALA . . . . . . . . . . . . . . . -55.98 -24.74 40.46 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.204 -0.453 . . . . 71.24 111.156 179.812 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 56' ' ' GLU . . . . . . . . . . . . . 3.3 mt-10 -78.0 -28.41 49.24 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.228 -0.442 . . . . 75.41 110.85 -179.907 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 57' ' ' GLU . . . . . . . . . . . . . 2.6 tt0 -65.36 -44.75 86.68 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.224 -0.444 . . . . 74.2 110.925 -179.967 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 58' ' ' ARG . . . . . . . . . . . . . 1.6 ptt180 -77.98 -29.3 49.63 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.094 -0.503 . . . . 72.24 110.864 -179.916 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 59' ' ' LEU . . . . . . . . . . . . . 5.1 mp -77.96 -64.43 1.16 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.197 -0.456 . . . . 75.35 110.924 -179.981 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 60' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -115.93 -79.28 0.58 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.13 -0.487 . . . . 72.3 110.872 179.86 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' B' B ' 61' ' ' LYS . . . . . . . . . . . . . 6.1 ptmt 178.0 -34.57 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.195 -0.457 . . . . 70.4 110.891 179.902 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 62' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER . . . . . 0 C--N 1.329 -0.311 0 CA-C-N 116.286 -0.415 . . . . 73.4 110.896 179.862 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 101' ' ' HLT . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 018 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.231 0.104 0 CA-C-O 120.907 0.384 . . . . 74.11 110.873 . . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 59.37 179.0 0.08 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.218 -0.446 . . . . 73.54 110.915 -179.985 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -173.86 -37.02 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.262 -0.426 . . . . 74.02 110.91 179.858 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 1.4 pp -81.5 -25.65 35.81 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.169 -0.469 . . . . 73.31 110.906 179.945 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 25.4 mtt85 -68.93 -24.32 64.27 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.194 -0.457 . . . . 72.22 110.908 179.968 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -53.68 -26.78 24.27 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.141 -0.481 . . . . 70.44 110.871 -179.924 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 2.9 pp20? -53.1 -36.53 60.82 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.121 -0.491 . . . . 72.15 110.925 -179.965 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -74.51 -26.55 60.07 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.106 -0.497 . . . . 74.15 111.111 179.896 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -55.55 -44.4 76.74 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.264 -0.426 . . . . 73.52 111.06 179.995 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 24.9 mtpt -55.49 -42.66 74.73 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.262 -0.426 . . . . 61.5 110.942 179.932 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 14.2 mt -52.72 -40.62 63.2 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.153 -0.476 . . . . 74.13 110.923 179.92 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 3.0 m-30 -74.24 -24.65 59.33 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.186 -0.461 . . . . 73.45 110.947 179.865 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -53.61 -32.14 49.96 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.15 -0.477 . . . . 64.14 110.873 -179.943 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 5.3 mt-10 -75.39 -35.79 61.0 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.123 -0.489 . . . . 75.43 110.915 -179.921 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 15' ' ' TRP . . . . . . . . . . . . . 6.2 t-105 -52.22 -50.54 61.75 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.142 -0.481 . . . . 73.14 110.997 179.975 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -77.38 -15.18 59.5 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.205 -0.452 . . . . 72.33 110.855 179.919 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 1.2 tptt -72.82 -57.1 4.33 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.243 -0.435 . . . . 73.53 110.898 179.858 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 1.8 mp -54.59 -29.96 53.09 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.222 -0.444 . . . . 73.14 110.919 179.992 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -66.32 -27.48 67.94 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.222 -0.445 . . . . 74.54 111.162 179.722 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -73.7 -49.43 25.78 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.197 -0.456 . . . . 72.5 110.887 -179.886 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 1.6 mm-40 -73.11 -50.79 20.84 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.112 -0.495 . . . . 74.22 110.864 -179.94 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -56.1 -22.83 30.37 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.244 -0.435 . . . . 72.15 111.074 179.914 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -75.67 -54.8 6.4 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.221 -0.445 . . . . 74.31 111.133 179.947 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -66.59 -29.99 70.17 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.255 -0.429 . . . . 65.01 110.902 179.905 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 5.4 mt -77.86 -41.85 35.45 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.283 -0.417 . . . . 71.33 110.926 179.935 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 5.1 mt -50.78 -49.48 58.14 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.185 -0.461 . . . . 73.35 110.887 179.941 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 44.1 mt-10 -90.02 11.88 19.32 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.211 -0.449 . . . . 72.13 110.918 179.897 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . -55.24 -17.99 12.54 Favored Glycine 0 N--CA 1.451 -0.362 0 C-N-CA 120.772 -0.728 . . . . 75.53 112.484 -179.951 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . 164.04 38.27 0.02 OUTLIER Glycine 0 N--CA 1.45 -0.376 0 C-N-CA 120.736 -0.745 . . . . 71.15 112.46 -179.962 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . -150.94 90.64 0.13 Allowed Glycine 0 N--CA 1.451 -0.305 0 C-N-CA 120.758 -0.734 . . . . 73.21 112.445 -179.88 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . -73.69 76.85 0.97 Allowed Glycine 0 N--CA 1.45 -0.375 0 C-N-CA 120.751 -0.738 . . . . 75.21 112.5 -179.927 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . 106.85 148.79 15.49 Favored Glycine 0 N--CA 1.452 -0.247 0 C-N-CA 120.699 -0.762 . . . . 42.35 112.473 -179.899 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -132.2 -97.2 0.68 Allowed Glycine 0 N--CA 1.45 -0.369 0 C-N-CA 120.809 -0.71 . . . . 74.43 112.482 -179.945 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . -101.72 -23.5 9.32 Favored Glycine 0 N--CA 1.45 -0.392 0 C-N-CA 120.76 -0.734 . . . . 65.41 112.505 -179.914 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 153.75 -125.04 1.67 Allowed Glycine 0 N--CA 1.451 -0.304 0 C-N-CA 120.792 -0.718 . . . . 75.13 112.527 -179.879 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 36' ' ' GLU . . . . . 0.627 ' HE2' ' HD2' ' A' ' 39' ' ' LYS . 27.3 tp10 -77.35 -21.36 53.48 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-O 120.849 0.357 . . . . 73.43 110.876 -179.908 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 1.5 pt? -50.18 -30.55 11.67 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.157 -0.474 . . . . 72.43 110.872 -179.96 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 38' ' ' MET . . . . . . . . . . . . . 27.0 ttm -69.86 -51.12 35.98 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.163 -0.471 . . . . 64.34 110.91 179.848 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 39' ' ' LYS . . . . . 0.627 ' HD2' ' HE2' ' A' ' 36' ' ' GLU . 10.1 tttt -65.7 -27.67 68.51 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.206 -0.452 . . . . 73.01 110.919 179.969 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 1.8 mt -53.75 -36.2 62.06 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.177 -0.465 . . . . 72.31 110.919 179.908 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 41' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -75.34 -53.74 8.23 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.15 -0.477 . . . . 75.34 110.883 179.882 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 9.3 tm-20 -53.25 -24.96 12.6 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.21 -0.45 . . . . 72.34 110.892 -179.883 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 2.1 mt-10 -59.88 -18.13 42.22 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.197 -0.456 . . . . 73.12 110.873 -179.95 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -50.89 -50.2 57.74 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.171 -0.468 . . . . 75.3 111.097 179.922 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -69.31 -22.86 63.75 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.28 -0.418 . . . . 71.15 111.097 179.965 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -76.24 -52.7 9.48 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.185 -0.461 . . . . 71.35 110.926 179.937 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 7.8 mmtm -73.33 -24.47 60.37 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.198 -0.456 . . . . 75.42 110.913 179.827 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -59.5 -50.81 72.48 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.201 -0.454 . . . . 63.52 111.079 179.853 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -67.9 -27.82 66.98 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.268 -0.424 . . . . 71.35 110.824 -179.881 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -74.04 -49.01 26.14 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.179 -0.464 . . . . 71.21 110.867 -179.836 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 3.6 pp -73.35 -41.25 63.68 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.189 -0.46 . . . . 72.25 110.942 179.985 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 52' ' ' PHE . . . . . . . . . . . . . 74.9 t80 -53.48 -27.74 26.84 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.144 -0.48 . . . . 75.44 110.898 179.982 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -51.72 -60.74 2.82 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.174 -0.466 . . . . 74.44 110.896 179.907 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 54' ' ' LEU . . . . . . . . . . . . . 4.5 mm? -77.45 -27.08 52.02 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.206 -0.452 . . . . 75.31 110.908 179.956 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -53.63 -37.13 62.77 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.159 -0.473 . . . . 74.21 111.102 179.845 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 3.2 pt-20 -67.31 -26.47 66.53 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.175 -0.466 . . . . 75.53 110.885 -179.919 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 6.4 tp10 -68.75 -50.23 52.22 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.142 -0.481 . . . . 71.32 110.919 -179.929 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -78.9 -13.67 59.67 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.06 -0.518 . . . . 75.43 110.858 -179.893 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 59' ' ' LEU . . . . . . . . . . . . . 34.6 mt -93.38 -68.62 0.79 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.233 -0.439 . . . . 74.33 110.866 -179.971 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -119.7 -81.99 0.64 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.206 -0.452 . . . . 74.44 110.902 179.902 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 179.18 -68.92 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.214 -0.448 . . . . 74.11 110.846 179.803 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 17.9 mt . . . . . 0 C--N 1.328 -0.335 0 CA-C-N 116.193 -0.458 . . . . 74.35 110.923 179.932 . . . . . . . . 0 0 . 1 . 018 nuclear orig full ' B' B ' 1' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.232 0.172 0 CA-C-O 120.787 0.327 . . . . 71.31 110.818 . . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 2' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 59.59 179.31 0.08 Allowed 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.232 -0.44 . . . . 73.54 110.89 179.928 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' B' B ' 3' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -173.83 -37.11 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.203 -0.453 . . . . 71.02 110.921 179.853 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' B' B ' 4' ' ' LEU . . . . . . . . . . . . . 1.4 pp -81.38 -25.68 36.08 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.183 -0.462 . . . . 72.13 110.899 179.93 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 5' ' ' ARG . . . . . . . . . . . . . 26.0 mtt85 -69.54 -24.69 63.76 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.178 -0.464 . . . . 72.51 110.895 179.977 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 6' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -53.64 -27.92 30.04 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.168 -0.469 . . . . 74.22 110.853 -179.924 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' B' B ' 7' ' ' GLU . . . . . . . . . . . . . 2.9 pp20? -53.74 -35.68 61.49 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.118 -0.492 . . . . 74.3 110.925 -179.941 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 8' ' ' ALA . . . . . . . . . . . . . . . -74.71 -26.81 60.07 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.107 -0.497 . . . . 73.54 111.099 179.931 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 9' ' ' ALA . . . . . . . . . . . . . . . -56.7 -45.56 81.73 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.213 -0.448 . . . . 75.31 111.065 179.954 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 10' ' ' LYS . . . . . . . . . . . . . 24.9 mtpt -55.83 -41.53 74.4 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.183 -0.462 . . . . 72.2 110.918 -179.992 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 11' ' ' LEU . . . . . . . . . . . . . 18.2 mt -51.81 -44.61 63.56 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.266 -0.425 . . . . 54.24 110.926 179.885 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 12' ' ' PHE . . . . . . . . . . . . . 5.0 m-85 -74.24 -21.92 59.57 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.133 -0.485 . . . . 73.34 110.903 179.928 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 13' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -60.69 -49.35 77.87 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.146 -0.479 . . . . 73.35 110.832 -179.872 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' B' B ' 14' ' ' GLU . . . . . . . . . . . . . 7.3 mt-10 -64.75 -34.76 79.09 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.152 -0.476 . . . . 62.33 110.919 -179.912 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 15' ' ' TRP . . . . . . . . . . . . . 9.8 t-105 -52.7 -53.8 42.51 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.179 -0.464 . . . . 74.24 110.894 -179.971 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 16' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -78.37 -14.78 59.24 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.202 -0.454 . . . . 74.45 110.901 179.92 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' B' B ' 17' ' ' LYS . . . . . . . . . . . . . 1.5 tptt -68.31 -62.87 1.2 Allowed 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.239 -0.437 . . . . 73.14 110.924 179.885 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 18' ' ' LEU . . . . . . . . . . . . . 3.7 mp -56.28 -29.2 60.85 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.193 -0.458 . . . . 71.24 110.888 179.919 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 19' ' ' ALA . . . . . . . . . . . . . . . -67.99 -14.94 63.36 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.187 -0.461 . . . . 73.13 111.119 179.769 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 20' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -71.31 -49.18 45.37 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.236 -0.438 . . . . 64.2 110.904 -179.95 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' B' B ' 21' ' ' GLU . . . . . . . . . . . . . 1.6 mm-40 -66.86 -51.59 53.71 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.135 -0.484 . . . . 64.42 110.875 -179.922 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 22' ' ' ALA . . . . . . . . . . . . . . . -58.95 -22.98 61.02 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.166 -0.47 . . . . 75.33 111.054 179.93 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 23' ' ' ALA . . . . . . . . . . . . . . . -76.33 -54.79 6.26 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.249 -0.432 . . . . 54.1 111.129 179.971 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 24' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -65.17 -30.72 71.66 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.187 -0.461 . . . . 74.21 110.899 179.981 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' B' B ' 25' ' ' LEU . . . . . . . . . . . . . 6.8 mt -77.88 -41.7 35.83 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.21 -0.45 . . . . 72.15 110.872 179.938 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 26' ' ' LEU . . . . . . . . . . . . . 2.6 mt -50.81 -48.6 59.68 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.211 -0.449 . . . . 73.41 110.89 179.939 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 27' ' ' GLU . . . . . . . . . . . . . 45.5 mt-10 -91.04 12.7 18.97 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.197 -0.456 . . . . 74.3 110.871 179.926 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 28' ' ' GLY . . . . . . . . . . . . . . . -54.19 -18.76 10.03 Favored Glycine 0 N--CA 1.451 -0.323 0 C-N-CA 120.693 -0.765 . . . . 65.3 112.466 -179.957 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 29' ' ' GLY . . . . . . . . . . . . . . . 168.42 46.53 0.03 OUTLIER Glycine 0 N--CA 1.452 -0.247 0 C-N-CA 120.704 -0.76 . . . . 74.13 112.46 -179.954 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 30' ' ' GLY . . . . . . . . . . . . . . . -146.79 90.8 0.15 Allowed Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.767 -0.73 . . . . 63.22 112.5 -179.93 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 31' ' ' GLY . . . . . . . . . . . . . . . -84.61 52.02 4.64 Favored Glycine 0 N--CA 1.452 -0.3 0 C-N-CA 120.748 -0.739 . . . . 65.04 112.466 -179.927 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 32' ' ' GLY . . . . . . . . . . . . . . . 85.92 115.83 0.88 Allowed Glycine 0 N--CA 1.451 -0.303 0 C-N-CA 120.691 -0.766 . . . . 43.43 112.551 -179.907 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 33' ' ' GLY . . . . . . . . . . . . . . . -174.94 -113.75 0.34 Allowed Glycine 0 N--CA 1.451 -0.31 0 C-N-CA 120.74 -0.743 . . . . 73.35 112.439 -179.858 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 34' ' ' GLY . . . . . . . . . . . . . . . -112.24 23.78 15.45 Favored Glycine 0 N--CA 1.452 -0.298 0 C-N-CA 120.681 -0.771 . . . . 71.35 112.421 -179.876 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 35' ' ' GLY . . . . . . . . . . . . . . . -158.15 -38.94 0.02 OUTLIER Glycine 0 N--CA 1.453 -0.205 0 C-N-CA 120.722 -0.752 . . . . 65.31 112.464 -179.957 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 36' ' ' GLU . . . . . . . . . . . . . 33.0 tp10 -51.67 -26.4 9.09 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.842 0.353 . . . . 74.11 110.856 -179.853 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 37' ' ' LEU . . . . . . . . . . . . . 2.3 pt? -52.15 -26.36 11.18 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.138 -0.483 . . . . 73.41 110.879 -179.955 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 38' ' ' MET . . . . . . . . . . . . . 33.2 ttm -56.74 -22.56 36.47 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.22 -0.445 . . . . 73.34 110.949 179.816 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 39' ' ' LYS . . . . . . . . . . . . . 10.7 tttt -52.02 -26.31 10.51 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.189 -0.459 . . . . 72.44 110.896 179.95 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 40' ' ' LEU . . . . . . . . . . . . . 1.8 mt -51.77 -33.06 33.52 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.191 -0.459 . . . . 74.54 110.918 179.946 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 41' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -75.54 -36.99 60.34 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.221 -0.445 . . . . 64.13 110.865 179.913 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' B' B ' 42' ' ' GLU . . . . . . . . . . . . . 9.1 tm-20 -52.73 -24.06 7.97 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.159 -0.473 . . . . 72.12 110.935 -179.849 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 43' ' ' GLU . . . . . . . . . . . . . 2.2 mt-10 -54.54 -21.17 9.45 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.174 -0.466 . . . . 65.53 110.87 -179.948 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 44' ' ' ALA . . . . . . . . . . . . . . . -50.61 -46.47 58.04 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.205 -0.452 . . . . 63.05 111.1 179.964 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 45' ' ' ALA . . . . . . . . . . . . . . . -71.98 -23.04 61.36 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.225 -0.443 . . . . 74.01 111.103 179.899 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 46' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -66.35 -48.61 69.65 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.22 -0.446 . . . . 74.12 110.858 179.999 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' B' B ' 47' ' ' LYS . . . . . . . . . . . . . 7.8 mmtm -74.15 -30.58 62.34 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.173 -0.467 . . . . 65.32 110.934 179.858 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 48' ' ' ALA . . . . . . . . . . . . . . . -62.35 -44.79 95.66 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.24 -0.436 . . . . 64.14 111.092 179.877 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 49' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -66.83 -28.11 68.09 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.222 -0.444 . . . . 72.45 110.891 -179.947 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' B' B ' 50' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -73.96 -48.96 26.88 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.138 -0.483 . . . . 63.42 110.846 -179.95 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' B' B ' 51' ' ' LEU . . . . . . . . . . . . . 4.0 pp -72.86 -33.94 66.42 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.197 -0.456 . . . . 73.42 110.949 -179.954 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 52' ' ' PHE . . . . . . . . . . . . . 79.6 t80 -53.86 -27.64 31.2 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.19 -0.459 . . . . 74.24 110.914 179.931 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 53' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -51.99 -59.13 4.7 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.111 -0.495 . . . . 73.3 110.902 179.952 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' B' B ' 54' ' ' LEU . . . . . . . . . . . . . 4.5 mm? -75.29 -23.39 57.38 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.272 -0.422 . . . . 74.04 110.966 179.882 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 55' ' ' ALA . . . . . . . . . . . . . . . -53.93 -35.19 61.42 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.158 -0.474 . . . . 54.2 111.112 179.752 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 56' ' ' GLU . . . . . . . . . . . . . 3.7 pt-20 -68.81 -26.11 65.01 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.162 -0.472 . . . . 73.3 110.934 -179.907 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 57' ' ' GLU . . . . . . . . . . . . . 6.4 tp10 -68.36 -50.03 55.99 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.142 -0.481 . . . . 65.24 110.919 -179.964 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 58' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -78.98 -13.83 59.56 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.147 -0.479 . . . . 74.02 110.837 -179.928 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' B' B ' 59' ' ' LEU . . . . . . . . . . . . . 32.5 mt -93.04 -67.69 0.84 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.217 -0.447 . . . . 74.21 110.926 -179.963 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 60' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -119.27 -81.49 0.63 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.194 -0.457 . . . . 73.14 110.925 179.804 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' B' B ' 61' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 178.49 -69.84 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.203 -0.453 . . . . 64.45 110.919 179.859 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' B' B ' 62' ' ' LEU . . . . . . . . . . . . . 16.2 mt . . . . . 0 C--N 1.328 -0.33 0 CA-C-N 116.256 -0.429 . . . . 74.51 110.918 179.894 . . . . . . . . 0 0 . 1 . 018 nuclear orig full ' A' A ' 101' ' ' HLT . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 019 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 7.6 mtt . . . . . 0 C--O 1.232 0.175 0 CA-C-O 120.799 0.333 . . . . 75.11 110.872 . . . . . . . . . 0 0 . 1 . 019 nuclear orig full ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 63.9 158.25 0.08 Allowed 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 116.307 -0.406 . . . . 75.12 110.851 179.957 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -179.65 -34.84 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.132 -0.485 . . . . 75.14 110.894 179.858 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 4.2 mm? -51.39 -64.77 0.71 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.125 -0.489 . . . . 73.55 110.898 179.929 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 1.7 ptp180 -72.22 -37.87 69.12 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.264 -0.426 . . . . 75.2 110.943 179.947 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 1.5 tm-20 -53.43 -28.61 30.91 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.191 -0.459 . . . . 65.02 110.912 -179.992 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 1.2 mm-40 -55.54 -30.04 60.04 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.14 -0.482 . . . . 74.23 110.922 179.992 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -76.11 -29.21 57.78 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.125 -0.488 . . . . 72.31 111.157 179.909 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -69.52 -37.14 77.0 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.225 -0.443 . . . . 74.34 111.122 179.904 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 12.6 mtmt -56.19 -26.39 50.59 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.138 -0.483 . . . . 71.32 110.918 179.937 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 65.0 mt -52.27 -45.57 65.49 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.213 -0.449 . . . . 71.01 110.864 -179.97 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 23.5 m-85 -73.48 -27.28 61.31 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.217 -0.447 . . . . 75.11 110.868 179.956 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 1.6 tt0 -58.46 -37.15 74.87 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.159 -0.473 . . . . 71.32 110.834 -179.898 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 8.1 mt-10 -74.93 -34.91 62.18 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.167 -0.469 . . . . 73.21 110.893 -179.926 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 15' ' ' TRP . . . . . . . . . . . . . 19.4 m0 -53.91 -54.86 32.81 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.178 -0.465 . . . . 74.54 110.885 -179.993 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -69.95 -24.42 63.34 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.228 -0.442 . . . . 75.52 110.96 179.903 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -69.85 -52.64 23.2 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.172 -0.467 . . . . 72.22 110.901 179.823 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 4.5 mt -54.93 -35.03 63.77 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.17 -0.468 . . . . 72.55 110.905 179.89 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -61.12 -33.73 73.85 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.225 -0.443 . . . . 74.11 111.084 179.859 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 1.8 mt-10 -57.58 -49.34 76.71 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.233 -0.439 . . . . 74.24 110.838 -179.89 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -73.94 -49.58 24.03 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.142 -0.481 . . . . 54.31 110.879 -179.899 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -55.7 -30.86 61.82 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.122 -0.49 . . . . 74.33 111.099 179.96 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -71.01 -54.23 11.96 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.134 -0.485 . . . . 53.41 111.189 179.892 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -62.94 -34.8 78.25 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.18 -0.464 . . . . 75.53 110.944 179.901 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 6.4 mt -76.58 -39.03 53.89 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.218 -0.447 . . . . 75.21 110.984 179.91 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 3.4 mt -50.6 -50.09 54.9 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.137 -0.483 . . . . 63.24 110.886 179.859 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 22.1 mt-10 -91.03 12.26 20.35 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.169 -0.468 . . . . 73.34 110.828 179.989 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . -59.44 -14.46 27.49 Favored Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 120.74 -0.743 . . . . 64.11 112.487 -179.988 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . 135.43 46.01 0.09 OUTLIER Glycine 0 N--CA 1.452 -0.291 0 C-N-CA 120.703 -0.76 . . . . 73.2 112.486 -179.869 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . -173.03 -55.58 0.05 OUTLIER Glycine 0 N--CA 1.452 -0.243 0 C-N-CA 120.738 -0.744 . . . . 61.24 112.489 -179.929 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . -56.22 122.38 27.51 Favored Glycine 0 N--CA 1.452 -0.25 0 C-N-CA 120.714 -0.755 . . . . 34.31 112.499 -179.929 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . -70.99 -119.58 0.05 OUTLIER Glycine 0 N--CA 1.453 -0.227 0 C-N-CA 120.742 -0.742 . . . . 63.42 112.474 -179.946 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . 93.67 -123.65 7.51 Favored Glycine 0 N--CA 1.451 -0.34 0 C-N-CA 120.755 -0.736 . . . . 74.35 112.521 -179.819 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 56.94 89.95 0.01 OUTLIER Glycine 0 N--CA 1.451 -0.339 0 C-N-CA 120.774 -0.727 . . . . 72.02 112.493 -179.877 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 136.7 -168.62 24.16 Favored Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.736 -0.745 . . . . 71.34 112.484 -179.88 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 16.7 tt0 -54.24 -31.69 54.07 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.847 0.356 . . . . 75.42 110.886 -179.858 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 33.1 tp -61.46 -57.81 10.69 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.198 -0.455 . . . . 75.21 110.939 -179.99 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 38' ' ' MET . . . . . . . . . . . . . 1.0 OUTLIER -63.67 -25.67 68.32 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.247 -0.433 . . . . 74.34 110.876 179.747 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -56.43 -27.89 57.92 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.266 -0.425 . . . . 72.03 110.912 179.975 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 11.4 mt -73.75 -28.44 61.69 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.218 -0.446 . . . . 74.22 110.956 179.886 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 41' ' ' CYS . . . . . . . . . . . . . 36.4 t -65.36 -38.89 91.46 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.149 -0.478 . . . . 74.44 110.895 179.964 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -72.8 -26.08 61.38 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.189 -0.46 . . . . 75.53 110.86 -179.897 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 4.6 mm-40 -59.47 -30.02 68.22 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.148 -0.478 . . . . 74.34 110.913 -179.951 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -51.94 -43.41 63.47 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.213 -0.449 . . . . 74.31 111.06 179.933 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -75.15 -23.09 57.75 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.29 -0.413 . . . . 64.0 111.088 179.95 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -71.88 -46.48 57.69 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.221 -0.445 . . . . 73.11 110.825 179.969 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -65.25 -56.53 12.24 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.249 -0.432 . . . . 75.04 110.893 179.914 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -52.89 -46.32 67.93 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.244 -0.435 . . . . 70.11 111.147 179.799 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 4.1 tt0 -67.28 -42.54 83.64 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.218 -0.446 . . . . 73.04 110.952 -179.995 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 1.4 mt-10 -59.49 -49.17 78.81 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.121 -0.49 . . . . 73.13 110.91 -179.962 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 1.5 mt -69.91 -43.69 71.2 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.192 -0.458 . . . . 71.4 110.949 179.958 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 52' ' ' PHE . . . . . . . . . . . . . 16.5 t80 -60.88 -36.71 79.91 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.16 -0.473 . . . . 73.54 110.896 179.922 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 30.0 tptt -52.19 -58.14 7.52 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.101 -0.5 . . . . 74.45 110.906 -179.955 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 54' ' ' LEU . . . . . . . . . . . . . 19.0 mt -74.86 -23.51 58.43 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.216 -0.447 . . . . 73.35 110.959 179.867 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -57.16 -35.55 69.68 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.179 -0.464 . . . . 72.44 111.089 179.806 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 19.9 mt-10 -57.08 -22.67 41.16 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.171 -0.468 . . . . 73.23 110.848 -179.887 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 52.8 tp10 -72.87 -54.37 8.93 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.131 -0.486 . . . . 72.25 110.879 -179.854 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -77.36 -22.64 51.43 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.139 -0.482 . . . . 75.24 110.923 -179.962 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 59' ' ' LEU . . . . . . . . . . . . . 3.7 mm? -112.91 -173.93 2.35 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.11 -0.496 . . . . 71.45 110.879 -179.961 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 2.7 mtpm? 51.33 -169.5 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.146 -0.479 . . . . 74.3 110.927 179.874 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -121.0 -29.42 4.59 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.26 -0.427 . . . . 72.32 110.888 179.898 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 3.8 pp . . . . . 0 C--N 1.328 -0.345 0 CA-C-N 116.244 -0.434 . . . . 75.32 110.876 179.921 . . . . . . . . 0 0 . 1 . 019 nuclear orig full ' B' B ' 1' ' ' MET . . . . . . . . . . . . . 7.7 mtt . . . . . 0 C--O 1.23 0.069 0 CA-C-O 120.869 0.366 . . . . 71.02 110.909 . . . . . . . . . 0 0 . 1 . 019 nuclear orig full ' B' B ' 2' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 63.39 160.4 0.09 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.181 -0.463 . . . . 74.25 110.914 179.984 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' B' B ' 3' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -178.45 -37.22 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.201 -0.454 . . . . 74.13 110.944 179.926 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' B' B ' 4' ' ' LEU . . . . . . . . . . . . . 4.1 mm? -52.49 -62.55 1.57 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.093 -0.503 . . . . 75.23 110.945 179.905 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 5' ' ' ARG . . . . . . . . . . . . . 1.6 ptp180 -70.86 -35.75 72.53 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.142 -0.481 . . . . 74.24 110.884 179.935 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 6' ' ' GLU . . . . . . . . . . . . . 1.4 tm-20 -53.77 -26.65 24.61 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.207 -0.451 . . . . 71.54 110.878 -179.961 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 7' ' ' GLU . . . . . . . . . . . . . 1.2 mm-40 -53.59 -28.44 32.28 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.141 -0.482 . . . . 71.33 110.861 -179.907 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 8' ' ' ALA . . . . . . . . . . . . . . . -76.06 -30.76 58.49 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.145 -0.479 . . . . 52.01 111.102 179.927 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 9' ' ' ALA . . . . . . . . . . . . . . . -71.57 -36.19 70.82 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.251 -0.431 . . . . 72.11 111.118 179.938 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 10' ' ' LYS . . . . . . . . . . . . . 13.1 mtmt -55.84 -25.05 40.19 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.192 -0.458 . . . . 71.43 110.899 179.953 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 11' ' ' LEU . . . . . . . . . . . . . 66.2 mt -51.82 -44.89 63.71 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.205 -0.452 . . . . 74.2 110.981 179.874 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 12' ' ' PHE . . . . . . . . . . . . . 23.4 m-85 -74.04 -28.18 61.29 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.202 -0.454 . . . . 73.32 110.901 179.918 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 13' ' ' GLU . . . . . . . . . . . . . 1.6 tt0 -57.71 -36.69 72.34 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.167 -0.469 . . . . 73.52 110.927 -179.966 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 14' ' ' GLU . . . . . . . . . . . . . 8.3 mt-10 -75.09 -35.2 61.8 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.13 -0.487 . . . . 42.2 110.923 -179.97 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 15' ' ' TRP . . . . . . . . . . . . . 19.4 m0 -53.94 -54.38 39.63 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.128 -0.487 . . . . 72.15 110.908 -179.939 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 16' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -69.23 -24.33 63.99 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.255 -0.429 . . . . 71.32 110.939 179.92 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' B' B ' 17' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -70.81 -52.49 20.18 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.147 -0.479 . . . . 72.35 110.877 179.835 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' B' B ' 18' ' ' LEU . . . . . . . . . . . . . 4.5 mt -54.78 -35.05 63.41 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.274 -0.421 . . . . 74.11 110.902 179.904 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 19' ' ' ALA . . . . . . . . . . . . . . . -61.46 -34.07 74.82 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.216 -0.447 . . . . 73.55 111.056 179.864 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 20' ' ' GLU . . . . . . . . . . . . . 1.9 mt-10 -57.52 -49.26 76.9 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.182 -0.463 . . . . 72.14 110.93 -179.954 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 21' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -73.65 -49.89 23.73 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.126 -0.488 . . . . 75.31 110.891 -179.922 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' B' B ' 22' ' ' ALA . . . . . . . . . . . . . . . -55.54 -30.91 61.58 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.162 -0.472 . . . . 74.42 111.114 179.943 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 23' ' ' ALA . . . . . . . . . . . . . . . -71.08 -54.32 11.55 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.229 -0.442 . . . . 75.32 111.079 179.969 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 24' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -62.92 -34.75 78.11 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.22 -0.445 . . . . 74.41 110.945 179.916 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' B' B ' 25' ' ' LEU . . . . . . . . . . . . . 6.4 mt -76.64 -38.91 53.86 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.246 -0.434 . . . . 75.5 110.954 179.872 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 26' ' ' LEU . . . . . . . . . . . . . 3.4 mt -50.6 -50.11 54.85 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.195 -0.457 . . . . 72.33 110.974 179.807 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 27' ' ' GLU . . . . . . . . . . . . . 22.0 mt-10 -91.16 12.41 20.15 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.217 -0.447 . . . . 73.03 110.861 179.934 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 28' ' ' GLY . . . . . . . . . . . . . . . -59.63 -14.43 28.77 Favored Glycine 0 N--CA 1.452 -0.26 0 C-N-CA 120.647 -0.787 . . . . 70.22 112.444 -179.935 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 29' ' ' GLY . . . . . . . . . . . . . . . 135.46 46.57 0.09 OUTLIER Glycine 0 N--CA 1.45 -0.392 0 C-N-CA 120.759 -0.734 . . . . 72.42 112.521 -179.889 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 30' ' ' GLY . . . . . . . . . . . . . . . -172.67 -55.92 0.05 OUTLIER Glycine 0 N--CA 1.451 -0.333 0 C-N-CA 120.702 -0.761 . . . . 71.41 112.475 -179.861 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 31' ' ' GLY . . . . . . . . . . . . . . . -56.56 122.8 29.58 Favored Glycine 0 N--CA 1.452 -0.289 0 C-N-CA 120.739 -0.743 . . . . 64.31 112.481 -179.855 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 32' ' ' GLY . . . . . . . . . . . . . . . -70.68 -119.56 0.04 OUTLIER Glycine 0 N--CA 1.45 -0.376 0 C-N-CA 120.75 -0.738 . . . . 71.43 112.501 -179.848 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 33' ' ' GLY . . . . . . . . . . . . . . . 93.75 -123.49 7.46 Favored Glycine 0 N--CA 1.452 -0.282 0 C-N-CA 120.689 -0.767 . . . . 72.24 112.473 -179.945 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 34' ' ' GLY . . . . . . . . . . . . . . . 57.33 90.08 0.01 OUTLIER Glycine 0 N--CA 1.451 -0.366 0 C-N-CA 120.752 -0.737 . . . . 72.22 112.463 -179.926 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 35' ' ' GLY . . . . . . . . . . . . . . . 136.65 -169.09 23.97 Favored Glycine 0 N--CA 1.452 -0.25 0 C-N-CA 120.708 -0.758 . . . . 63.42 112.434 -179.92 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 36' ' ' GLU . . . . . . . . . . . . . 16.8 tt0 -54.66 -32.5 59.31 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-O 120.891 0.377 . . . . 61.31 110.873 -179.902 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 37' ' ' LEU . . . . . . . . . . . . . 31.9 tp -61.71 -57.48 11.77 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.18 -0.464 . . . . 74.33 110.906 -179.954 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 38' ' ' MET . . . . . . . . . . . . . 1.0 OUTLIER -62.62 -25.7 68.24 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.199 -0.455 . . . . 73.32 110.816 179.905 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' B' B ' 39' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -56.4 -28.0 58.03 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.246 -0.433 . . . . 72.51 110.951 179.943 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' B' B ' 40' ' ' LEU . . . . . . . . . . . . . 12.0 mt -71.79 -28.77 63.83 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.13 -0.486 . . . . 74.21 110.969 179.867 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 41' ' ' CYS . . . . . . . . . . . . . 36.4 t -65.48 -39.42 91.91 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.139 -0.482 . . . . 73.32 110.842 179.998 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 42' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -73.04 -26.38 61.28 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.171 -0.468 . . . . 72.24 110.825 -179.832 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' B' B ' 43' ' ' GLU . . . . . . . . . . . . . 4.6 mm-40 -59.64 -30.27 68.61 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.214 -0.448 . . . . 70.24 110.833 -179.871 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 44' ' ' ALA . . . . . . . . . . . . . . . -51.96 -43.53 63.57 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.196 -0.456 . . . . 74.02 111.07 179.922 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 45' ' ' ALA . . . . . . . . . . . . . . . -74.93 -23.11 58.27 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.195 -0.457 . . . . 63.44 111.067 179.984 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 46' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -71.9 -47.16 54.6 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.235 -0.439 . . . . 64.31 110.867 -179.974 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' B' B ' 47' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -65.06 -56.32 13.73 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.226 -0.443 . . . . 63.13 110.845 179.918 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' B' B ' 48' ' ' ALA . . . . . . . . . . . . . . . -52.84 -46.14 67.68 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.194 -0.457 . . . . 64.24 111.038 179.861 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 49' ' ' GLU . . . . . . . . . . . . . 4.1 tt0 -67.46 -42.96 82.19 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.295 -0.412 . . . . 72.45 110.868 -179.881 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 50' ' ' GLU . . . . . . . . . . . . . 1.5 mt-10 -60.31 -48.72 80.56 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.161 -0.472 . . . . 73.35 110.879 -179.951 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 51' ' ' LEU . . . . . . . . . . . . . 1.5 mt -69.63 -42.21 74.61 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 116.191 -0.458 . . . . 72.21 110.927 -179.997 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 52' ' ' PHE . . . . . . . . . . . . . 15.5 t80 -58.99 -36.66 75.26 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.215 -0.448 . . . . 65.34 110.855 179.957 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 53' ' ' LYS . . . . . . . . . . . . . 29.3 tptt -52.03 -59.36 4.44 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.147 -0.479 . . . . 74.21 110.864 179.992 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 54' ' ' LEU . . . . . . . . . . . . . 19.2 mt -75.7 -22.86 56.22 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.255 -0.429 . . . . 74.41 110.916 179.965 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 55' ' ' ALA . . . . . . . . . . . . . . . -56.44 -31.72 64.22 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.194 -0.457 . . . . 61.22 111.147 179.751 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 56' ' ' GLU . . . . . 0.406 ' O ' ' HG3' ' B' ' 60' ' ' LYS . 25.6 mt-10 -60.02 -39.22 85.1 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.192 -0.458 . . . . 73.42 110.921 -179.939 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' B' B ' 57' ' ' GLU . . . . . . . . . . . . . 52.9 tp10 -50.36 -56.07 12.92 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.169 -0.468 . . . . 73.44 110.873 -179.948 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 58' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -81.41 -17.77 47.76 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.196 -0.456 . . . . 64.53 110.911 -179.969 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' B' B ' 59' ' ' LEU . . . . . . . . . . . . . 3.4 mm? -136.04 74.11 1.49 Allowed 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.236 -0.438 . . . . 75.11 110.974 179.986 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 60' ' ' LYS . . . . . 0.406 ' HG3' ' O ' ' B' ' 56' ' ' GLU . 0.1 OUTLIER -86.61 145.54 26.69 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.143 -0.48 . . . . 73.22 110.955 179.836 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' B' B ' 61' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -166.84 -38.46 0.02 OUTLIER 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.291 -0.413 . . . . 75.13 110.872 179.907 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' B' B ' 62' ' ' LEU . . . . . . . . . . . . . 2.5 pp . . . . . 0 C--N 1.328 -0.338 0 CA-C-N 116.211 -0.45 . . . . 73.03 110.868 179.957 . . . . . . . . 0 0 . 1 . 019 nuclear orig full ' A' A ' 101' ' ' HLT . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 020 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 6.1 ttm . . . . . 0 C--O 1.231 0.095 0 CA-C-O 120.799 0.333 . . . . 74.03 110.837 . . . . . . . . . 0 0 . 1 . 020 nuclear orig full ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -161.42 154.86 21.48 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.254 -0.43 . . . . 73.22 110.936 179.934 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 10.9 mtpt -173.73 -39.99 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.27 -0.423 . . . . 73.32 110.833 179.883 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 4.2 mm? -62.6 -46.5 88.01 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.231 -0.441 . . . . 74.01 110.948 179.863 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 3.1 ptp180 -71.32 -43.04 67.8 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.171 -0.468 . . . . 75.34 110.854 179.93 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -54.07 -29.62 44.96 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.238 -0.437 . . . . 72.23 110.889 -179.901 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 2.9 mm-40 -64.27 -54.56 31.31 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.167 -0.469 . . . . 74.52 110.866 -179.878 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -55.27 -27.02 43.64 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.136 -0.484 . . . . 71.43 111.147 179.898 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -73.72 -40.64 63.42 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.212 -0.449 . . . . 65.11 111.131 179.874 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 4.1 mtmt -58.39 -31.98 68.17 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.215 -0.448 . . . . 74.03 110.912 179.997 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 55.0 mt -51.69 -43.92 62.93 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.254 -0.43 . . . . 71.41 110.865 179.936 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 22.1 m-85 -74.15 -27.77 61.0 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.173 -0.467 . . . . 75.14 110.876 179.992 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 2.7 tt0 -53.74 -27.93 31.39 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.156 -0.474 . . . . 75.04 110.951 -179.93 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 11.4 mt-10 -74.89 -35.48 62.28 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.137 -0.483 . . . . 73.34 110.904 179.988 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 15' ' ' TRP . . . . . . . . . . . . . 2.3 t90 -59.52 -48.79 80.27 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.198 -0.455 . . . . 74.31 110.87 -179.937 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 2.9 ptmm? -75.39 -32.45 60.78 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.246 -0.434 . . . . 74.32 110.91 179.96 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -64.14 -57.41 9.64 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.241 -0.436 . . . . 64.31 110.903 179.848 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 3.0 mt -54.92 -42.2 71.95 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.224 -0.444 . . . . 64.13 110.903 179.927 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -58.23 -24.09 58.05 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.24 -0.436 . . . . 73.04 111.113 179.784 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -73.33 -49.5 27.12 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.227 -0.442 . . . . 74.05 110.866 -179.951 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -73.92 -51.41 16.17 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.164 -0.471 . . . . 74.03 110.917 -179.961 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -53.27 -30.23 37.4 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.116 -0.493 . . . . 74.21 111.11 179.953 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -71.15 -54.08 12.29 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.17 -0.468 . . . . 75.13 111.134 179.867 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 16.5 ptpt -64.75 -33.11 75.19 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.262 -0.426 . . . . 73.4 110.85 -179.99 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 4.4 mt -76.54 -40.98 48.33 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.227 -0.442 . . . . 74.34 110.93 179.945 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 7.5 mt -50.78 -49.22 58.77 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.163 -0.471 . . . . 72.31 110.923 179.875 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 11.7 mt-10 -93.24 12.42 24.6 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.175 -0.466 . . . . 72.52 110.841 179.944 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . -59.86 -14.14 29.06 Favored Glycine 0 N--CA 1.451 -0.302 0 C-N-CA 120.695 -0.764 . . . . 74.54 112.483 -179.965 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . 135.45 44.19 0.1 Allowed Glycine 0 N--CA 1.451 -0.348 0 C-N-CA 120.738 -0.744 . . . . 73.2 112.458 -179.992 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . -178.4 -87.12 0.07 OUTLIER Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.761 -0.733 . . . . 63.0 112.509 -179.917 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . 55.09 -108.95 1.1 Allowed Glycine 0 N--CA 1.451 -0.306 0 C-N-CA 120.766 -0.731 . . . . 72.14 112.435 -179.943 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . -141.36 -106.39 0.62 Allowed Glycine 0 N--CA 1.451 -0.344 0 C-N-CA 120.727 -0.749 . . . . 71.0 112.482 -179.927 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -111.63 -39.27 1.34 Allowed Glycine 0 N--CA 1.451 -0.364 0 C-N-CA 120.778 -0.725 . . . . 71.5 112.45 -179.856 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 111.96 115.02 3.42 Favored Glycine 0 N--CA 1.452 -0.283 0 C-N-CA 120.793 -0.718 . . . . 54.15 112.48 -179.892 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 144.38 -136.23 6.62 Favored Glycine 0 N--CA 1.451 -0.3 0 C-N-CA 120.713 -0.756 . . . . 52.54 112.508 -179.888 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 24.5 tt0 -57.55 -33.01 67.67 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.905 0.383 . . . . 74.22 110.937 -179.943 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 19.3 tp -64.89 -48.4 74.33 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.099 -0.5 . . . . 71.32 110.903 -179.911 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 38' ' ' MET . . . . . . . . . . . . . 37.3 ttm -70.95 -44.97 64.98 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.195 -0.457 . . . . 62.13 110.838 179.807 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -65.28 -28.06 69.07 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.239 -0.437 . . . . 74.12 110.919 179.954 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 4.3 mt -54.42 -40.24 68.1 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.209 -0.45 . . . . 71.52 110.909 179.903 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 41' ' ' CYS . . . . . . . . . . . . . 40.5 t -69.84 -37.13 76.06 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.241 -0.436 . . . . 73.23 110.835 179.973 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -56.44 -25.01 49.13 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.199 -0.455 . . . . 73.2 110.895 -179.882 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 11.4 mm-40 -54.28 -29.67 48.07 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.193 -0.458 . . . . 75.32 110.954 -179.985 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -51.69 -43.07 62.64 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.098 -0.501 . . . . 75.51 111.164 179.845 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -75.1 -22.91 57.95 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.245 -0.434 . . . . 74.22 111.041 179.971 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 4.1 mttp -77.63 -50.3 12.79 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.239 -0.437 . . . . 70.4 110.847 -179.968 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -63.54 -49.02 75.11 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.238 -0.437 . . . . 70.13 110.862 179.911 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -51.84 -37.32 51.44 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.219 -0.446 . . . . 73.44 111.093 179.826 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -66.65 -34.28 77.53 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.158 -0.474 . . . . 72.31 110.942 -179.938 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 10.2 mm-40 -74.18 -40.92 62.2 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.162 -0.472 . . . . 73.44 110.92 -179.988 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 3.4 mt -73.02 -48.11 39.16 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.136 -0.484 . . . . 73.5 110.874 -179.921 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 52' ' ' PHE . . . . . . . . . . . . . 35.0 t80 -54.05 -26.85 28.78 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.216 -0.447 . . . . 64.34 110.948 179.91 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -51.78 -56.17 15.44 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.146 -0.479 . . . . 74.4 110.935 179.897 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 54' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -75.44 -21.75 57.91 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.264 -0.425 . . . . 73.05 110.936 179.883 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -54.05 -29.94 45.99 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.228 -0.442 . . . . 73.31 111.051 179.769 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 56' ' ' GLU . . . . . 0.478 ' O ' ' N ' ' A' ' 60' ' ' LYS . 5.4 pt-20 -76.5 -25.77 54.56 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.256 -0.429 . . . . 74.43 110.942 -179.968 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 34.9 tp10 -63.06 -46.68 86.32 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.194 -0.457 . . . . 74.14 110.932 -179.923 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 58' ' ' ARG . . . . . 0.404 ' CZ ' ' HB3' ' A' ' 58' ' ' ARG . 0.0 OUTLIER -82.65 -12.58 57.53 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.133 -0.485 . . . . 74.51 110.878 -179.946 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 59' ' ' LEU . . . . . . . . . . . . . 31.5 tp -121.51 -77.19 0.58 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.185 -0.461 . . . . 74.42 110.897 -179.913 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 60' ' ' LYS . . . . . 0.478 ' N ' ' O ' ' A' ' 56' ' ' GLU . 2.5 mtpp 70.3 -174.47 0.18 Allowed 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.18 -0.463 . . . . 65.12 110.937 179.824 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER 66.51 22.25 10.65 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.312 -0.404 . . . . 62.04 110.873 179.864 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER . . . . . 0 C--N 1.328 -0.335 0 CA-C-N 116.256 -0.429 . . . . 73.22 110.886 -179.987 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 1' ' ' MET . . . . . . . . . . . . . 6.0 ttm . . . . . 0 C--O 1.232 0.155 0 CA-C-O 120.812 0.339 . . . . 61.35 110.85 . . . . . . . . . 0 0 . 1 . 020 nuclear orig full ' B' B ' 2' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -161.39 154.52 21.1 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.281 -0.418 . . . . 71.42 110.882 179.948 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' B' B ' 3' ' ' LYS . . . . . . . . . . . . . 11.0 mtpt -173.95 -40.14 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.166 -0.47 . . . . 73.24 110.919 179.879 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 4' ' ' LEU . . . . . . . . . . . . . 4.2 mm? -62.44 -46.16 89.77 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.192 -0.458 . . . . 74.43 110.892 179.904 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 5' ' ' ARG . . . . . . . . . . . . . 2.8 ptp180 -71.31 -42.58 68.45 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.172 -0.467 . . . . 74.52 110.833 179.988 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 6' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -53.66 -29.51 38.86 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.256 -0.429 . . . . 75.15 110.893 -179.927 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' B' B ' 7' ' ' GLU . . . . . . . . . . . . . 3.0 mm-40 -63.46 -54.52 35.14 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.183 -0.462 . . . . 72.4 110.912 -179.935 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 8' ' ' ALA . . . . . . . . . . . . . . . -56.24 -26.83 52.85 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.129 -0.487 . . . . 70.54 111.047 179.928 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 9' ' ' ALA . . . . . . . . . . . . . . . -71.68 -38.76 70.57 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.191 -0.458 . . . . 73.2 111.121 179.953 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 10' ' ' LYS . . . . . . . . . . . . . 4.5 mtmt -55.9 -34.07 65.22 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.194 -0.457 . . . . 72.25 110.91 -179.994 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 11' ' ' LEU . . . . . . . . . . . . . 40.2 mt -51.82 -42.73 62.75 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.179 -0.464 . . . . 72.55 110.961 179.928 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 12' ' ' PHE . . . . . . . . . . . . . 23.4 m-85 -74.16 -27.48 60.85 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.199 -0.455 . . . . 73.0 110.906 179.868 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 13' ' ' GLU . . . . . . . . . . . . . 2.7 tt0 -53.82 -32.52 53.08 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.103 -0.499 . . . . 62.42 110.853 -179.861 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 14' ' ' GLU . . . . . . . . . . . . . 8.4 mt-10 -75.0 -29.24 60.82 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.246 -0.434 . . . . 73.41 110.849 -179.944 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 15' ' ' TRP . . . . . . . . . . . . . 2.2 t90 -61.63 -52.13 65.62 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.166 -0.47 . . . . 72.44 110.926 -179.989 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 16' ' ' LYS . . . . . . . . . . . . . 3.0 ptmm? -75.98 -32.74 59.6 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.319 -0.401 . . . . 72.53 110.902 179.865 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 17' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -58.83 -62.21 2.04 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.248 -0.433 . . . . 74.31 110.894 179.884 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' B' B ' 18' ' ' LEU . . . . . . . . . . . . . 3.3 mt -54.94 -43.39 73.35 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 116.264 -0.425 . . . . 72.15 110.872 179.914 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 19' ' ' ALA . . . . . . . . . . . . . . . -57.96 -21.66 45.31 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.199 -0.455 . . . . 73.42 111.169 179.754 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 20' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -73.05 -49.21 29.95 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.124 -0.489 . . . . 71.11 110.869 -179.909 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' B' B ' 21' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -71.59 -51.78 21.56 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.147 -0.479 . . . . 73.15 110.855 -179.908 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' B' B ' 22' ' ' ALA . . . . . . . . . . . . . . . -53.94 -30.45 46.63 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.145 -0.48 . . . . 71.44 111.15 179.893 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 23' ' ' ALA . . . . . . . . . . . . . . . -71.54 -53.63 13.19 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.242 -0.435 . . . . 75.32 111.08 179.969 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 24' ' ' LYS . . . . . . . . . . . . . 16.5 ptpt -64.63 -33.66 76.45 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.234 -0.439 . . . . 75.32 110.845 -179.994 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 25' ' ' LEU . . . . . . . . . . . . . 5.1 mt -76.34 -40.44 51.3 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.219 -0.446 . . . . 75.14 110.92 179.951 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 26' ' ' LEU . . . . . . . . . . . . . 7.0 mt -50.62 -50.05 55.22 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.144 -0.48 . . . . 71.54 110.875 179.878 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 27' ' ' GLU . . . . . . . . . . . . . 12.6 mt-10 -95.15 12.54 28.39 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.288 -0.415 . . . . 72.32 110.896 179.935 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 28' ' ' GLY . . . . . . . . . . . . . . . -59.64 -14.46 28.93 Favored Glycine 0 N--CA 1.451 -0.33 0 C-N-CA 120.727 -0.749 . . . . 74.34 112.49 -179.943 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 29' ' ' GLY . . . . . . . . . . . . . . . 135.23 45.63 0.1 OUTLIER Glycine 0 N--CA 1.451 -0.325 0 C-N-CA 120.727 -0.749 . . . . 61.44 112.449 -179.962 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 30' ' ' GLY . . . . . . . . . . . . . . . -176.88 -87.36 0.07 OUTLIER Glycine 0 N--CA 1.452 -0.29 0 C-N-CA 120.75 -0.738 . . . . 74.41 112.469 -179.96 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 31' ' ' GLY . . . . . . . . . . . . . . . 55.69 -107.16 0.73 Allowed Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.752 -0.737 . . . . 64.42 112.535 -179.816 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 32' ' ' GLY . . . . . . . . . . . . . . . -140.63 -106.38 0.64 Allowed Glycine 0 N--CA 1.451 -0.352 0 C-N-CA 120.742 -0.742 . . . . 74.13 112.502 -179.881 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 33' ' ' GLY . . . . . . . . . . . . . . . -111.51 -38.02 1.52 Allowed Glycine 0 N--CA 1.45 -0.381 0 C-N-CA 120.725 -0.75 . . . . 51.25 112.538 -179.979 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 34' ' ' GLY . . . . . . . . . . . . . . . 112.26 112.94 3.24 Favored Glycine 0 N--CA 1.452 -0.3 0 C-N-CA 120.753 -0.737 . . . . 73.44 112.512 -179.911 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 35' ' ' GLY . . . . . . . . . . . . . . . 142.47 -135.5 6.63 Favored Glycine 0 N--CA 1.451 -0.335 0 C-N-CA 120.696 -0.764 . . . . 71.05 112.463 -179.903 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 36' ' ' GLU . . . . . . . . . . . . . 24.4 tt0 -57.66 -31.64 66.52 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 120.867 0.365 . . . . 75.31 110.926 -179.931 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 37' ' ' LEU . . . . . . . . . . . . . 19.8 tp -63.73 -48.49 76.85 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.139 -0.482 . . . . 64.33 110.923 179.991 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 38' ' ' MET . . . . . . . . . . . . . 37.6 ttm -72.53 -44.32 62.34 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.204 -0.453 . . . . 74.31 110.845 179.876 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 39' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -64.29 -27.87 69.33 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.252 -0.431 . . . . 75.25 110.885 179.979 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' B' B ' 40' ' ' LEU . . . . . . . . . . . . . 4.1 mt -53.99 -43.04 69.65 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.24 -0.437 . . . . 73.01 110.903 179.922 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 41' ' ' CYS . . . . . . . . . . . . . 32.5 t -75.11 -27.43 59.84 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.199 -0.455 . . . . 74.24 110.916 179.949 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 42' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -53.65 -25.56 18.53 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.165 -0.47 . . . . 63.52 110.871 -179.888 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' B' B ' 43' ' ' GLU . . . . . . . . . . . . . 11.5 mm-40 -54.6 -33.06 59.78 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.165 -0.471 . . . . 70.4 110.857 -179.931 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 44' ' ' ALA . . . . . . . . . . . . . . . -51.63 -42.57 62.11 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.122 -0.49 . . . . 74.51 111.103 179.957 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 45' ' ' ALA . . . . . . . . . . . . . . . -74.92 -23.07 58.29 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.24 -0.436 . . . . 74.04 111.159 179.874 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 46' ' ' LYS . . . . . . . . . . . . . 4.1 mttp -78.13 -49.92 12.98 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.135 -0.484 . . . . 70.44 110.865 -179.98 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 47' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -62.44 -43.56 98.52 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.295 -0.411 . . . . 73.4 110.858 179.919 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' B' B ' 48' ' ' ALA . . . . . . . . . . . . . . . -51.86 -41.45 61.88 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.3 -0.409 . . . . 54.3 111.113 179.77 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 49' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -70.63 -32.03 69.21 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.197 -0.456 . . . . 70.33 110.838 -179.878 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' B' B ' 50' ' ' GLU . . . . . . . . . . . . . 10.0 mm-40 -73.98 -41.09 62.45 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.157 -0.474 . . . . 74.53 110.957 -179.98 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 51' ' ' LEU . . . . . . . . . . . . . 4.6 mt -72.53 -53.23 12.6 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.173 -0.467 . . . . 74.01 110.942 179.995 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 52' ' ' PHE . . . . . . . . . . . . . 34.8 t80 -56.11 -24.89 43.42 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.174 -0.467 . . . . 75.52 110.898 179.907 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 53' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -52.37 -56.02 17.71 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.182 -0.463 . . . . 74.12 110.878 -179.991 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' B' B ' 54' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -75.28 -21.95 58.14 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.22 -0.446 . . . . 65.12 110.968 179.844 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' B' B ' 55' ' ' ALA . . . . . . . . . . . . . . . -53.87 -30.0 43.91 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.169 -0.469 . . . . 64.43 111.076 179.827 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 56' ' ' GLU . . . . . 0.477 ' O ' ' N ' ' B' ' 60' ' ' LYS . 5.4 pt-20 -76.82 -25.82 53.67 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.262 -0.426 . . . . 74.41 110.876 -179.963 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' B' B ' 57' ' ' GLU . . . . . . . . . . . . . 34.9 tp10 -62.96 -46.7 86.48 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.185 -0.461 . . . . 74.52 110.863 -179.895 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 58' ' ' ARG . . . . . 0.406 ' CZ ' ' HB3' ' B' ' 58' ' ' ARG . 0.0 OUTLIER -82.64 -12.7 57.46 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.227 -0.442 . . . . 74.12 110.879 -179.934 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' B' B ' 59' ' ' LEU . . . . . . . . . . . . . 29.4 tp -121.3 -77.17 0.58 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.205 -0.452 . . . . 74.21 110.918 -179.977 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 60' ' ' LYS . . . . . 0.477 ' N ' ' O ' ' B' ' 56' ' ' GLU . 2.6 mtpp 70.35 -174.5 0.18 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.129 -0.487 . . . . 73.14 110.922 179.873 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' B' B ' 61' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER 66.28 22.6 10.88 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.226 -0.443 . . . . 71.42 110.896 179.851 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' B' B ' 62' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER . . . . . 0 C--N 1.329 -0.324 0 CA-C-N 116.212 -0.449 . . . . 70.33 110.871 179.954 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 101' ' ' HLT . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 nuclear build core ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 33.9 tptt . . . . . 0 C--O 1.231 0.122 0 CA-C-O 120.847 0.356 . . . . 75.12 110.849 . . . . . . . . . 0 0 . 1 . 001 nuclear build core ' A' A ' 3' ' ' LYS . . . . . 0.42 ' C ' HD22 ' A' ' 4' ' ' LEU . 0.2 OUTLIER -179.33 -37.76 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.235 -0.439 . . . . 50.32 110.913 179.955 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 4' ' ' LEU . . . . . 0.42 HD22 ' C ' ' A' ' 3' ' ' LYS . 4.3 mm? -116.89 -26.98 6.72 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.224 -0.443 . . . . 74.41 110.902 179.933 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 2.1 mtt85 -72.05 -45.46 60.69 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.205 -0.452 . . . . 73.21 110.908 179.951 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 2.4 tt0 -53.81 -28.23 34.01 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.17 -0.468 . . . . 74.31 110.926 -179.99 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 15.9 mm-40 -54.96 -29.93 57.86 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.16 -0.473 . . . . 73.35 110.903 -179.941 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -74.15 -26.98 60.62 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.168 -0.469 . . . . 71.14 111.093 179.896 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 9' ' ' ALA . . . . . 0.901 ' HB2' HD23 ' A' ' 59' ' ' LEU . . . -64.13 -40.86 97.08 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.213 -0.449 . . . . 45.11 111.093 179.946 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -65.77 -35.13 79.85 Favored 'General case' 0 C--N 1.33 -0.283 0 CA-C-N 116.188 -0.46 . . . . 61.0 110.904 -179.973 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 51.1 mt -51.89 -44.06 63.59 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.221 -0.445 . . . . 65.24 110.942 179.881 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 12' ' ' PHE . . . . . 0.4 ' CZ ' HD21 ' B' ' 26' ' ' LEU . 22.4 m-85 -74.09 -23.51 59.34 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.121 -0.49 . . . . 71.03 110.811 -179.984 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -59.03 -37.38 76.82 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.195 -0.457 . . . . 73.24 110.913 -179.952 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 7.4 mt-10 -75.02 -34.97 61.97 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.151 -0.477 . . . . 75.43 110.823 -179.895 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 15' ' ' TRP . . . . . . . . . . . . . 11.4 m0 -55.76 -47.67 76.61 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 116.178 -0.465 . . . . 64.44 110.932 -179.902 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 12.4 tttm -76.62 -25.93 54.38 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.226 -0.443 . . . . 72.13 110.917 179.871 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -67.9 -59.14 3.51 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.237 -0.438 . . . . 73.24 110.889 179.864 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 19.1 mt -55.18 -32.68 62.37 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.229 -0.442 . . . . 74.34 110.888 179.876 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 19' ' ' ALA . . . . . 0.435 ' O ' ' HB2' ' A' ' 23' ' ' ALA . . . -63.38 -24.82 68.01 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.216 -0.447 . . . . 72.35 111.108 179.81 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 1.3 mt-10 -73.08 -49.54 27.93 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.274 -0.421 . . . . 75.11 110.879 -179.907 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 2.1 mm-40 -74.26 -48.47 28.47 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.131 -0.486 . . . . 71.32 110.928 -179.929 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -57.78 -22.42 47.06 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.111 -0.495 . . . . 53.33 111.074 179.947 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 23' ' ' ALA . . . . . 0.435 ' HB2' ' O ' ' A' ' 19' ' ' ALA . . . -75.95 -54.86 6.23 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.197 -0.456 . . . . 51.3 111.079 179.961 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -65.87 -30.44 71.05 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.251 -0.431 . . . . 62.12 110.919 179.961 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 25' ' ' LEU . . . . . 0.429 HD23 ' HA ' ' A' ' 25' ' ' LEU . 5.8 mt -77.82 -41.67 36.31 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.223 -0.444 . . . . 73.21 110.845 179.976 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 5.4 mt -50.38 -50.33 51.86 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 116.215 -0.448 . . . . 71.31 110.963 179.876 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 1.7 mt-10 -90.78 12.29 19.72 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.13 -0.486 . . . . 65.11 110.914 179.859 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . -59.71 -14.25 28.5 Favored Glycine 0 N--CA 1.451 -0.351 0 C-N-CA 120.816 -0.707 . . . . 54.55 112.499 -179.985 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . 135.36 45.25 0.1 OUTLIER Glycine 0 N--CA 1.452 -0.283 0 C-N-CA 120.709 -0.757 . . . . 65.51 112.518 -179.88 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . -111.85 -44.98 0.85 Allowed Glycine 0 N--CA 1.451 -0.306 0 C-N-CA 120.72 -0.752 . . . . 62.1 112.432 -179.883 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . -175.88 130.98 1.8 Allowed Glycine 0 N--CA 1.452 -0.275 0 C-N-CA 120.779 -0.724 . . . . 44.44 112.51 -179.899 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . -137.9 111.29 0.81 Allowed Glycine 0 N--CA 1.451 -0.33 0 C-N-CA 120.773 -0.727 . . . . 72.24 112.492 -179.942 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -111.39 -45.18 0.87 Allowed Glycine 0 N--CA 1.451 -0.306 0 C-N-CA 120.753 -0.737 . . . . 64.42 112.472 -179.918 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . -152.26 156.29 26.61 Favored Glycine 0 N--CA 1.452 -0.263 0 C-N-CA 120.655 -0.783 . . . . 71.03 112.468 -179.884 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . -69.05 -47.05 56.44 Favored Glycine 0 N--CA 1.451 -0.336 0 C-N-CA 120.73 -0.748 . . . . 62.32 112.452 -179.843 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 13.9 tt0 -60.84 -37.05 80.73 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 120.886 0.374 . . . . 73.04 110.849 -179.89 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 46.5 tp -52.66 -56.74 13.32 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.232 -0.44 . . . . 72.33 110.967 -179.972 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 38' ' ' MET . . . . . . . . . . . . . 0.9 OUTLIER -67.37 -26.89 66.69 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.177 -0.465 . . . . 62.12 110.88 179.82 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 22.3 tttt -54.03 -29.65 44.52 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.206 -0.452 . . . . 73.33 110.853 179.968 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 40' ' ' LEU . . . . . 0.601 ' HB3' HD23 ' B' ' 51' ' ' LEU . 22.3 mt -61.94 -29.47 70.25 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.265 -0.425 . . . . 61.44 110.877 179.96 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 41' ' ' CYS . . . . . . . . . . . . . 23.0 m -71.88 -49.2 40.03 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.199 -0.455 . . . . 51.34 110.834 179.981 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 2.1 mt-10 -65.8 -25.98 67.48 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.168 -0.469 . . . . 74.12 110.876 -179.822 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 2.9 mm-40 -54.99 -28.1 49.3 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.197 -0.456 . . . . 75.5 110.907 -179.923 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -51.94 -43.34 63.43 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.098 -0.501 . . . . 45.31 111.08 179.894 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -75.09 -23.67 58.01 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.236 -0.438 . . . . 44.31 111.093 179.929 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -69.06 -46.82 66.87 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 116.291 -0.413 . . . . 75.42 110.925 179.9 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 3.6 mptp? -66.88 -56.9 8.26 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.208 -0.451 . . . . 73.11 110.927 179.886 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -54.45 -27.25 36.06 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.247 -0.433 . . . . 43.13 111.035 179.832 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 4.1 tm-20 -70.28 -44.39 68.48 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.228 -0.442 . . . . 73.35 110.874 -179.888 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -54.19 -51.03 65.65 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.144 -0.48 . . . . 75.45 110.93 -179.935 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 51' ' ' LEU . . . . . 0.605 HD23 ' HB3' ' B' ' 40' ' ' LEU . 3.4 pp -73.0 -30.91 64.15 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.1 -0.5 . . . . 61.02 110.912 -179.963 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 52' ' ' PHE . . . . . . . . . . . . . 61.2 t80 -60.49 -24.03 64.97 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.215 -0.448 . . . . 71.32 110.893 179.92 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -70.33 -56.67 6.15 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.121 -0.49 . . . . 75.45 110.955 179.948 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 54' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -72.46 -25.51 61.47 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.138 -0.483 . . . . 64.24 110.889 179.905 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 55' ' ' ALA . . . . . 0.489 ' O ' HD13 ' A' ' 59' ' ' LEU . . . -56.09 -25.0 43.65 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.211 -0.449 . . . . 73.35 111.1 179.841 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 7.2 mt-10 -77.0 -26.23 53.61 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.215 -0.448 . . . . 70.33 110.904 -179.96 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -61.46 -49.31 77.3 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.132 -0.485 . . . . 71.41 110.882 -179.867 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -78.04 -21.76 50.21 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.201 -0.454 . . . . 72.34 110.881 -179.966 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 59' ' ' LEU . . . . . 0.901 HD23 ' HB2' ' A' ' 9' ' ' ALA . 6.5 mp -85.13 -77.5 0.28 Allowed 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.213 -0.449 . . . . 72.12 110.974 179.96 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -100.98 -175.66 2.94 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.238 -0.437 . . . . 63.1 110.964 179.749 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 8.6 mtpt -114.76 87.14 2.58 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.259 -0.428 . . . . 74.13 110.878 179.925 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 11.5 mt . . . . . 0 C--N 1.329 -0.302 0 CA-C-N 116.211 -0.449 . . . . 75.42 110.967 179.907 . . . . . . . . 0 0 . 1 . 001 nuclear build core ' B' B ' 1' ' ' MET . . . . . 0.597 ' H1 ' ' HB3' ' B' ' 60' ' ' LYS . 0.0 OUTLIER . . . . . 0 C--O 1.232 0.152 0 CA-C-O 120.858 0.361 . . . . 71.41 110.929 . . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 2' ' ' LYS . . . . . . . . . . . . . 33.9 tptt -72.94 -74.56 0.17 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.241 -0.436 . . . . 60.41 110.822 -179.939 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 3' ' ' LYS . . . . . 0.428 ' C ' HD22 ' B' ' 4' ' ' LEU . 0.2 OUTLIER -179.38 -37.69 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.203 -0.453 . . . . 74.23 110.887 179.891 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' B' B ' 4' ' ' LEU . . . . . 0.428 HD22 ' C ' ' B' ' 3' ' ' LYS . 4.3 mm? -116.94 -26.93 6.72 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.248 -0.433 . . . . 72.04 110.901 179.939 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 5' ' ' ARG . . . . . . . . . . . . . 2.1 mtt85 -72.06 -45.51 60.48 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.216 -0.447 . . . . 74.31 110.875 179.942 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 6' ' ' GLU . . . . . . . . . . . . . 2.5 tt0 -53.79 -28.27 34.02 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.209 -0.45 . . . . 62.44 110.836 -179.893 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 7' ' ' GLU . . . . . . . . . . . . . 16.0 mm-40 -54.94 -29.98 57.72 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.211 -0.45 . . . . 72.32 110.906 -179.897 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 8' ' ' ALA . . . . . . . . . . . . . . . -74.08 -27.02 60.7 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.105 -0.498 . . . . 62.53 111.124 179.878 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 9' ' ' ALA . . . . . 0.918 ' HB2' HD23 ' B' ' 59' ' ' LEU . . . -64.18 -40.85 96.97 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.237 -0.438 . . . . 64.11 111.07 179.933 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 10' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -65.67 -35.29 80.35 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.278 -0.419 . . . . 70.13 110.94 179.957 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 11' ' ' LEU . . . . . . . . . . . . . 50.7 mt -51.94 -44.03 63.74 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.196 -0.456 . . . . 42.05 110.895 179.92 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 12' ' ' PHE . . . . . . . . . . . . . 22.3 m-85 -73.99 -23.53 59.46 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.227 -0.442 . . . . 62.11 110.903 179.933 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 13' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -58.62 -37.36 75.71 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.094 -0.503 . . . . 74.42 110.914 -179.937 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 14' ' ' GLU . . . . . . . . . . . . . 7.4 mt-10 -75.02 -34.89 61.97 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.123 -0.49 . . . . 61.01 110.898 -179.943 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 15' ' ' TRP . . . . . . . . . . . . . 11.3 m0 -55.36 -47.9 75.08 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.181 -0.463 . . . . 70.21 110.924 -179.997 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 16' ' ' LYS . . . . . . . . . . . . . 12.4 tttm -76.56 -26.11 54.76 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.224 -0.444 . . . . 71.02 110.865 179.996 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 17' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -68.12 -58.99 3.58 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.217 -0.447 . . . . 52.11 110.827 179.925 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 18' ' ' LEU . . . . . . . . . . . . . 19.0 mt -55.26 -32.43 62.34 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.239 -0.437 . . . . 73.14 110.956 179.912 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 19' ' ' ALA . . . . . 0.437 ' O ' ' HB2' ' B' ' 23' ' ' ALA . . . -63.74 -24.74 67.89 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.113 -0.494 . . . . 72.15 111.096 179.837 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 20' ' ' GLU . . . . . . . . . . . . . 1.3 mt-10 -73.24 -49.54 27.28 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.212 -0.449 . . . . 55.32 110.871 -179.923 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 21' ' ' GLU . . . . . . . . . . . . . 2.1 mm-40 -74.23 -48.44 28.8 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.151 -0.477 . . . . 73.35 110.895 -179.929 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 22' ' ' ALA . . . . . . . . . . . . . . . -57.86 -22.2 46.77 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.177 -0.465 . . . . 42.14 111.135 179.953 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 23' ' ' ALA . . . . . 0.437 ' HB2' ' O ' ' B' ' 19' ' ' ALA . . . -76.01 -54.82 6.29 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.198 -0.456 . . . . 71.41 111.097 179.897 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 24' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -65.93 -30.41 70.99 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.234 -0.439 . . . . 74.44 110.932 179.936 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 25' ' ' LEU . . . . . 0.414 HD23 ' HA ' ' B' ' 25' ' ' LEU . 5.8 mt -77.79 -41.64 36.63 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.211 -0.449 . . . . 63.12 110.923 179.895 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 26' ' ' LEU . . . . . 0.4 HD21 ' CZ ' ' A' ' 12' ' ' PHE . 5.4 mt -50.46 -50.32 52.71 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.16 -0.473 . . . . 55.4 110.88 179.919 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 27' ' ' GLU . . . . . . . . . . . . . 1.7 mt-10 -90.8 12.19 20.09 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.194 -0.457 . . . . 70.12 110.883 179.962 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 28' ' ' GLY . . . . . . . . . . . . . . . -59.69 -14.24 28.28 Favored Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.742 -0.742 . . . . 71.11 112.506 -179.975 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 29' ' ' GLY . . . . . . . . . . . . . . . 135.43 45.21 0.1 OUTLIER Glycine 0 N--CA 1.452 -0.266 0 C-N-CA 120.673 -0.775 . . . . 62.24 112.46 -179.929 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 30' ' ' GLY . . . . . . . . . . . . . . . -111.81 -44.82 0.86 Allowed Glycine 0 N--CA 1.45 -0.4 0 C-N-CA 120.732 -0.746 . . . . 75.31 112.537 -179.918 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 31' ' ' GLY . . . . . . . . . . . . . . . -176.01 131.13 1.82 Allowed Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.738 -0.744 . . . . 61.01 112.45 -179.993 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 32' ' ' GLY . . . . . . . . . . . . . . . -137.95 111.17 0.8 Allowed Glycine 0 N--CA 1.452 -0.248 0 C-N-CA 120.75 -0.738 . . . . 71.44 112.512 -179.929 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 33' ' ' GLY . . . . . . . . . . . . . . . -111.42 -45.1 0.87 Allowed Glycine 0 N--CA 1.452 -0.292 0 C-N-CA 120.655 -0.783 . . . . 73.42 112.507 -179.921 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 34' ' ' GLY . . . . . . . . . . . . . . . -152.24 156.24 26.59 Favored Glycine 0 N--CA 1.452 -0.296 0 C-N-CA 120.727 -0.749 . . . . 51.31 112.493 -179.868 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 35' ' ' GLY . . . . . . . . . . . . . . . -68.86 -47.13 57.13 Favored Glycine 0 N--CA 1.45 -0.387 0 C-N-CA 120.724 -0.751 . . . . 52.03 112.506 -179.902 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 36' ' ' GLU . . . . . . . . . . . . . 14.0 tt0 -60.81 -37.13 80.91 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 120.925 0.393 . . . . 73.11 110.848 -179.866 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 37' ' ' LEU . . . . . . . . . . . . . 46.7 tp -52.63 -56.75 13.23 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.18 -0.464 . . . . 72.21 110.991 179.996 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 38' ' ' MET . . . . . . . . . . . . . 0.9 OUTLIER -67.2 -26.96 66.88 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.226 -0.443 . . . . 70.51 110.884 179.769 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 39' ' ' LYS . . . . . . . . . . . . . 22.2 tttt -54.06 -29.56 44.64 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.253 -0.431 . . . . 65.43 110.914 179.952 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 40' ' ' LEU . . . . . 0.605 ' HB3' HD23 ' A' ' 51' ' ' LEU . 22.6 mt -61.84 -29.36 70.12 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.219 -0.446 . . . . 70.44 110.959 179.872 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 41' ' ' CYS . . . . . . . . . . . . . 23.5 m -71.77 -49.32 39.95 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.176 -0.466 . . . . 73.11 110.897 179.906 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 42' ' ' GLU . . . . . . . . . . . . . 2.1 mt-10 -65.83 -25.87 67.41 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.179 -0.464 . . . . 74.14 110.878 -179.843 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 43' ' ' GLU . . . . . . . . . . . . . 2.9 mm-40 -55.0 -28.3 50.92 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 116.18 -0.463 . . . . 75.34 110.876 -179.966 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 44' ' ' ALA . . . . . . . . . . . . . . . -51.92 -43.25 63.33 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.169 -0.469 . . . . 71.01 111.127 179.954 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 45' ' ' ALA . . . . . . . . . . . . . . . -75.08 -23.74 58.06 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.193 -0.458 . . . . 60.13 111.064 179.933 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 46' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -69.18 -46.8 66.6 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.21 -0.45 . . . . 74.35 110.873 179.984 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 47' ' ' LYS . . . . . . . . . . . . . 3.6 mptp? -66.99 -56.87 8.27 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.252 -0.431 . . . . 71.32 110.928 179.881 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 48' ' ' ALA . . . . . . . . . . . . . . . -54.39 -27.07 34.08 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.261 -0.427 . . . . 53.23 111.114 179.799 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 49' ' ' GLU . . . . . . . . . . . . . 4.1 tm-20 -70.43 -44.33 68.11 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.2 -0.455 . . . . 65.55 110.932 -179.945 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 50' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -54.03 -51.05 65.23 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.13 -0.486 . . . . 71.44 110.96 179.979 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 51' ' ' LEU . . . . . 0.601 HD23 ' HB3' ' A' ' 40' ' ' LEU . 3.5 pp -73.05 -31.01 64.14 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.119 -0.491 . . . . 62.34 110.931 -179.991 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 52' ' ' PHE . . . . . . . . . . . . . 60.8 t80 -60.58 -24.02 65.11 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.192 -0.458 . . . . 73.41 110.89 179.94 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 53' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -70.34 -56.75 5.93 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.104 -0.498 . . . . 73.3 110.894 179.96 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 54' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -72.4 -25.51 61.52 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.217 -0.447 . . . . 70.24 110.912 179.883 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 55' ' ' ALA . . . . . 0.507 ' O ' HD13 ' B' ' 59' ' ' LEU . . . -56.08 -24.96 43.34 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.27 -0.423 . . . . 73.02 111.118 179.855 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 56' ' ' GLU . . . . . . . . . . . . . 7.2 mt-10 -77.11 -26.18 53.02 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.166 -0.47 . . . . 64.03 110.864 -179.937 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 57' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -61.49 -49.28 77.38 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.15 -0.477 . . . . 63.14 110.83 -179.88 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 58' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -78.06 -21.83 50.01 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.241 -0.436 . . . . 70.04 110.816 -179.884 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 59' ' ' LEU . . . . . 0.918 HD23 ' HB2' ' B' ' 9' ' ' ALA . 6.5 mp -85.1 -77.55 0.28 Allowed 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.202 -0.454 . . . . 73.11 110.874 -179.952 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 60' ' ' LYS . . . . . 0.597 ' HB3' ' H1 ' ' B' ' 1' ' ' MET . 0.0 OUTLIER -100.99 -175.56 2.91 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.195 -0.457 . . . . 73.44 110.912 179.849 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' B' B ' 61' ' ' LYS . . . . . . . . . . . . . 8.7 mtpt -114.72 86.98 2.54 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.271 -0.422 . . . . 63.51 110.978 179.822 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 62' ' ' LEU . . . . . . . . . . . . . 11.5 mt . . . . . 0 C--N 1.329 -0.32 0 CA-C-N 116.239 -0.437 . . . . 60.11 110.884 179.948 . . . . . . . . 0 0 . 1 . 002 nuclear build core ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.232 0.153 0 CA-C-O 120.805 0.336 . . . . 75.04 110.956 . . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 3' ' ' LYS . . . . . 0.517 ' HB3' HD22 ' A' ' 4' ' ' LEU . 15.9 mttm -153.04 -64.2 0.15 Allowed 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.285 -0.416 . . . . 70.44 110.877 179.85 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 4' ' ' LEU . . . . . 0.517 HD22 ' HB3' ' A' ' 3' ' ' LYS . 2.3 mm? -116.45 -21.16 9.36 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.224 -0.444 . . . . 74.32 110.977 179.895 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 7.7 mmt180 -69.63 -43.81 71.89 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.202 -0.454 . . . . 71.41 110.883 179.941 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 6' ' ' GLU . . . . . 0.726 ' HA ' HD22 ' A' ' 59' ' ' LEU . 0.0 OUTLIER -53.44 -28.59 30.95 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.255 -0.429 . . . . 75.12 110.887 -179.943 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 4.6 mt-10 -57.6 -28.65 63.83 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.128 -0.487 . . . . 74.2 110.901 -179.975 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -76.03 -28.26 57.65 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.148 -0.478 . . . . 71.13 111.087 179.956 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -61.94 -43.23 99.28 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.272 -0.422 . . . . 64.32 111.078 179.962 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 4.6 mttm -56.12 -31.29 63.18 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.255 -0.429 . . . . 71.23 110.922 179.927 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 51.8 mt -51.8 -46.25 64.17 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.272 -0.422 . . . . 64.24 110.972 179.865 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 21.4 m-85 -74.06 -25.16 59.69 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.202 -0.454 . . . . 73.45 110.869 179.979 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 25.4 tt0 -54.15 -32.88 56.56 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-N 116.101 -0.5 . . . . 61.31 110.907 -179.949 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 9.2 mt-10 -66.4 -32.56 74.02 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.216 -0.447 . . . . 51.13 110.898 -179.906 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 15' ' ' TRP . . . . . 0.569 ' CD1' ' HB1' ' A' ' 44' ' ' ALA . 3.5 t90 -67.97 -44.45 76.67 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.105 -0.498 . . . . 72.2 110.926 -179.967 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 16' ' ' LYS . . . . . 0.41 ' HB2' ' HB3' ' A' ' 48' ' ' ALA . 9.9 ttpt -77.14 -32.12 56.11 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.204 -0.453 . . . . 71.42 110.992 179.84 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -73.79 -52.36 13.39 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.175 -0.466 . . . . 73.13 110.95 179.8 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 61.3 mt -55.93 -28.18 55.71 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.163 -0.471 . . . . 73.51 110.892 179.936 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -72.24 -24.13 61.33 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.204 -0.453 . . . . 63.24 111.13 179.781 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 10.1 mt-10 -73.43 -49.51 26.61 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.208 -0.451 . . . . 65.23 110.893 -179.967 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 1.9 mm-40 -74.14 -51.53 15.3 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.199 -0.455 . . . . 74.0 110.92 -179.96 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -53.04 -29.83 32.17 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.187 -0.46 . . . . 41.11 111.092 179.912 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -71.67 -54.0 11.76 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.262 -0.426 . . . . 70.25 111.078 179.932 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 14.0 ptmt -64.86 -33.07 75.14 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 116.329 -0.396 . . . . 73.44 110.917 179.961 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 25' ' ' LEU . . . . . 0.409 HD23 ' HA ' ' A' ' 25' ' ' LEU . 4.2 mt -76.27 -41.81 47.68 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.198 -0.455 . . . . 63.33 110.903 179.885 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 4.0 mt -50.81 -48.16 59.8 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.243 -0.435 . . . . 70.01 110.951 179.888 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 37.2 mm-40 -95.35 12.49 28.99 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.159 -0.473 . . . . 63.54 110.821 179.956 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . -59.49 -14.4 27.62 Favored Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.748 -0.739 . . . . 52.23 112.558 179.99 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . 135.38 45.63 0.1 OUTLIER Glycine 0 N--CA 1.452 -0.276 0 C-N-CA 120.676 -0.773 . . . . 63.34 112.467 -179.876 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . -137.41 43.74 1.19 Allowed Glycine 0 N--CA 1.452 -0.298 0 C-N-CA 120.743 -0.741 . . . . 53.3 112.453 -179.869 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . 150.24 60.81 0.01 OUTLIER Glycine 0 N--CA 1.45 -0.371 0 C-N-CA 120.787 -0.72 . . . . 43.21 112.531 -179.94 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . 54.05 -101.79 0.1 Allowed Glycine 0 N--CA 1.453 -0.219 0 C-N-CA 120.675 -0.774 . . . . 73.22 112.494 -179.847 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . 179.11 -128.37 1.24 Allowed Glycine 0 N--CA 1.45 -0.367 0 C-N-CA 120.769 -0.729 . . . . 61.54 112.488 -179.855 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 86.98 123.44 1.66 Allowed Glycine 0 N--CA 1.452 -0.267 0 C-N-CA 120.72 -0.752 . . . . 62.0 112.507 -179.891 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . -70.99 -43.04 58.45 Favored Glycine 0 N--CA 1.452 -0.266 0 C-N-CA 120.697 -0.764 . . . . 71.15 112.443 -179.857 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 29.7 tt0 -52.09 -36.31 50.49 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 120.929 0.395 . . . . 63.31 110.924 -179.924 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 23.3 tp -62.85 -39.34 94.07 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.134 -0.485 . . . . 55.33 110.958 179.998 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 38' ' ' MET . . . . . . . . . . . . . 3.5 ttp -72.62 -25.29 61.25 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.139 -0.482 . . . . 74.23 110.931 179.806 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 7.2 ttmm -54.06 -29.21 43.31 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.161 -0.472 . . . . 72.34 110.872 180.0 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 40' ' ' LEU . . . . . 0.813 HD22 HD23 ' B' ' 51' ' ' LEU . 2.7 mt -61.64 -59.05 5.78 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.239 -0.437 . . . . 74.02 110.912 179.958 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 41' ' ' CYS . . . . . . . . . . . . . 18.2 p -69.08 -24.37 64.13 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.194 -0.457 . . . . 73.13 110.918 179.966 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 32.7 tt0 -55.75 -25.43 40.62 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 116.141 -0.481 . . . . 71.02 110.847 -179.833 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 2.7 mm-40 -54.64 -37.86 66.17 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.177 -0.465 . . . . 75.54 110.857 -179.907 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 44' ' ' ALA . . . . . 0.569 ' HB1' ' CD1' ' A' ' 15' ' ' TRP . . . -51.75 -41.92 61.95 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.206 -0.452 . . . . 51.24 111.079 179.958 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -75.26 -22.93 57.46 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.237 -0.438 . . . . 75.14 111.088 179.912 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -75.73 -48.92 19.88 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.233 -0.44 . . . . 71.52 110.934 179.955 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -54.95 -55.28 32.43 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.25 -0.432 . . . . 70.11 110.832 179.879 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 48' ' ' ALA . . . . . 0.655 ' HA ' HD12 ' A' ' 51' ' ' LEU . . . -51.94 -36.96 51.07 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.197 -0.456 . . . . 60.15 111.142 179.866 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 1.4 tt0 -63.79 -45.14 91.07 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.114 -0.494 . . . . 62.03 110.845 -179.875 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 6.2 mm-40 -74.03 -27.53 60.98 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.145 -0.48 . . . . 73.13 110.962 -179.968 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 51' ' ' LEU . . . . . 0.676 ' CD2' HD22 ' B' ' 40' ' ' LEU . 11.9 mt -73.1 -53.38 11.18 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.126 -0.488 . . . . 74.03 110.902 -179.967 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 52' ' ' PHE . . . . . . . . . . . . . 70.2 t80 -55.92 -32.45 63.79 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.223 -0.444 . . . . 45.14 110.848 179.957 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 1.9 mmmm -51.97 -59.36 4.43 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.134 -0.484 . . . . 62.22 110.914 -179.988 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 54' ' ' LEU . . . . . . . . . . . . . 4.5 mm? -75.67 -24.13 56.3 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.225 -0.443 . . . . 72.43 110.957 179.899 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 55' ' ' ALA . . . . . 0.441 ' C ' HD12 ' A' ' 59' ' ' LEU . . . -55.21 -37.67 67.43 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.104 -0.498 . . . . 64.33 111.071 179.796 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 56' ' ' GLU . . . . . 0.462 ' HB2' HD21 ' A' ' 62' ' ' LEU . 16.2 mt-10 -52.42 -29.42 24.27 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.219 -0.446 . . . . 54.34 110.863 -179.872 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 3.1 tm-20 -70.1 -47.83 60.18 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.146 -0.479 . . . . 75.33 110.974 -179.982 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -77.95 -13.61 59.82 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.168 -0.469 . . . . 74.13 110.858 -179.952 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 59' ' ' LEU . . . . . 0.726 HD22 ' HA ' ' A' ' 6' ' ' GLU . 10.7 mt -94.86 -61.46 1.49 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.203 -0.453 . . . . 70.23 110.902 -179.961 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 60' ' ' LYS . . . . . 0.519 ' HE3' HD23 ' A' ' 62' ' ' LEU . 0.0 OUTLIER -119.88 -175.94 3.08 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.176 -0.465 . . . . 63.13 110.886 179.806 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -109.81 89.76 3.11 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.187 -0.46 . . . . 54.12 110.9 179.893 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 62' ' ' LEU . . . . . 0.519 HD23 ' HE3' ' A' ' 60' ' ' LYS . 0.6 OUTLIER . . . . . 0 C--N 1.328 -0.353 0 CA-C-N 116.233 -0.44 . . . . 61.32 110.913 179.93 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 1' ' ' MET . . . . . . . . . . . . . 1.9 mtt . . . . . 0 C--O 1.232 0.182 0 CA-C-O 120.759 0.314 . . . . 72.02 110.834 . . . . . . . . . 0 0 . 1 . 002 nuclear build core ' B' B ' 2' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -114.06 177.92 4.46 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 116.27 -0.423 . . . . 63.23 110.913 179.964 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 3' ' ' LYS . . . . . 0.517 ' HB3' HD22 ' B' ' 4' ' ' LEU . 15.9 mttm -152.97 -64.53 0.16 Allowed 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.229 -0.441 . . . . 75.01 110.939 179.932 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 4' ' ' LEU . . . . . 0.517 HD22 ' HB3' ' B' ' 3' ' ' LYS . 2.3 mm? -116.49 -21.31 9.26 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.199 -0.455 . . . . 71.23 110.967 179.891 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 5' ' ' ARG . . . . . . . . . . . . . 7.7 mmt180 -69.36 -43.64 73.17 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.151 -0.477 . . . . 65.23 110.904 179.959 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 6' ' ' GLU . . . . . 0.715 ' HA ' HD22 ' B' ' 59' ' ' LEU . 0.0 OUTLIER -53.62 -29.04 36.08 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.205 -0.452 . . . . 74.43 110.882 -179.941 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' B' B ' 7' ' ' GLU . . . . . . . . . . . . . 4.6 mt-10 -57.12 -28.65 62.89 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.156 -0.475 . . . . 72.14 110.878 -179.979 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 8' ' ' ALA . . . . . . . . . . . . . . . -75.98 -27.78 57.59 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.232 -0.44 . . . . 63.34 111.129 179.927 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 9' ' ' ALA . . . . . . . . . . . . . . . -63.06 -41.12 99.39 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.231 -0.441 . . . . 73.52 111.048 179.951 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 10' ' ' LYS . . . . . . . . . . . . . 4.6 mttm -56.3 -32.66 64.8 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.232 -0.44 . . . . 53.13 110.933 179.969 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 11' ' ' LEU . . . . . . . . . . . . . 48.0 mt -51.82 -45.39 63.92 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.206 -0.452 . . . . 74.2 110.974 179.907 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 12' ' ' PHE . . . . . . . . . . . . . 22.2 m-85 -74.09 -25.96 60.1 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.137 -0.483 . . . . 74.34 110.883 179.903 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 13' ' ' GLU . . . . . . . . . . . . . 25.3 tt0 -58.16 -42.77 86.71 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.138 -0.483 . . . . 65.51 110.932 -179.9 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 14' ' ' GLU . . . . . . . . . . . . . 6.9 mt-10 -75.01 -28.06 60.35 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.129 -0.487 . . . . 62.1 110.893 -179.974 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 15' ' ' TRP . . . . . . . . . . . . . 2.6 m0 -59.7 -47.52 85.32 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.17 -0.468 . . . . 74.13 110.971 -179.935 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 16' ' ' LYS . . . . . . . . . . . . . 9.7 ttpt -77.31 -27.04 52.76 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.261 -0.427 . . . . 71.11 110.865 179.884 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 17' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -67.02 -51.79 50.53 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.302 -0.408 . . . . 72.54 110.877 179.855 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 18' ' ' LEU . . . . . . . . . . . . . 50.2 mt -56.53 -26.42 54.7 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.215 -0.448 . . . . 55.31 110.921 179.898 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 19' ' ' ALA . . . . . . . . . . . . . . . -72.72 -21.7 61.0 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.149 -0.478 . . . . 74.23 111.111 179.8 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 20' ' ' GLU . . . . . . . . . . . . . 11.7 mt-10 -73.14 -49.38 28.63 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.245 -0.434 . . . . 74.5 110.912 -179.913 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 21' ' ' GLU . . . . . . . . . . . . . 1.9 mm-40 -73.96 -51.46 15.94 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.106 -0.497 . . . . 71.24 110.851 -179.951 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 22' ' ' ALA . . . . . . . . . . . . . . . -53.27 -30.19 37.19 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.177 -0.465 . . . . 72.13 111.08 179.99 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 23' ' ' ALA . . . . . . . . . . . . . . . -71.32 -54.04 12.17 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.207 -0.452 . . . . 73.4 111.079 179.942 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 24' ' ' LYS . . . . . . . . . . . . . 14.0 ptmt -64.75 -33.19 75.39 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.234 -0.439 . . . . 72.22 110.842 179.998 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 25' ' ' LEU . . . . . . . . . . . . . 4.4 mt -76.39 -41.21 48.63 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.285 -0.416 . . . . 53.15 110.914 179.933 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 26' ' ' LEU . . . . . . . . . . . . . 3.8 mt -50.88 -48.63 60.31 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.214 -0.448 . . . . 71.4 110.899 179.915 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 27' ' ' GLU . . . . . . . . . . . . . 37.0 mm-40 -95.1 12.61 28.03 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.22 -0.446 . . . . 75.51 110.912 179.985 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 28' ' ' GLY . . . . . . . . . . . . . . . -59.65 -14.51 29.27 Favored Glycine 0 N--CA 1.451 -0.36 0 C-N-CA 120.734 -0.746 . . . . 71.24 112.525 -179.988 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 29' ' ' GLY . . . . . . . . . . . . . . . 136.48 46.33 0.08 OUTLIER Glycine 0 N--CA 1.451 -0.349 0 C-N-CA 120.803 -0.713 . . . . 44.11 112.515 -179.921 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 30' ' ' GLY . . . . . . . . . . . . . . . -136.51 44.3 1.16 Allowed Glycine 0 N--CA 1.451 -0.346 0 C-N-CA 120.728 -0.749 . . . . 51.34 112.531 -179.936 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 31' ' ' GLY . . . . . . . . . . . . . . . 151.57 63.16 0.01 OUTLIER Glycine 0 N--CA 1.452 -0.283 0 C-N-CA 120.732 -0.746 . . . . 72.43 112.487 -179.895 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 32' ' ' GLY . . . . . . . . . . . . . . . 57.1 -102.5 0.21 Allowed Glycine 0 N--CA 1.452 -0.283 0 C-N-CA 120.695 -0.764 . . . . 74.32 112.513 -179.905 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 33' ' ' GLY . . . . . . . . . . . . . . . 178.69 -128.96 1.32 Allowed Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.791 -0.719 . . . . 50.3 112.475 -179.924 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 34' ' ' GLY . . . . . . . . . . . . . . . 86.61 123.2 1.54 Allowed Glycine 0 N--CA 1.451 -0.346 0 C-N-CA 120.744 -0.741 . . . . 74.12 112.497 -179.866 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 35' ' ' GLY . . . . . . . . . . . . . . . -70.75 -43.1 60.34 Favored Glycine 0 N--CA 1.452 -0.276 0 C-N-CA 120.696 -0.764 . . . . 55.42 112.46 -179.899 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 36' ' ' GLU . . . . . . . . . . . . . 29.7 tt0 -52.25 -34.53 46.54 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.909 0.385 . . . . 63.22 110.904 -179.882 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 37' ' ' LEU . . . . . . . . . . . . . 23.0 tp -61.39 -39.3 90.18 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.109 -0.496 . . . . 75.21 110.925 -179.967 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 38' ' ' MET . . . . . . . . . . . . . 3.6 ttp -72.63 -26.92 61.85 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.182 -0.463 . . . . 75.23 110.832 179.861 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 39' ' ' LYS . . . . . . . . . . . . . 7.2 ttmm -56.17 -27.97 56.37 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.246 -0.433 . . . . 73.3 110.889 179.949 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 40' ' ' LEU . . . . . 0.676 HD22 ' CD2' ' A' ' 51' ' ' LEU . 2.2 mt -59.87 -58.88 6.67 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.275 -0.42 . . . . 62.33 110.915 179.937 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 41' ' ' CYS . . . . . . . . . . . . . 18.5 p -69.38 -23.74 63.78 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.216 -0.447 . . . . 71.31 110.892 179.947 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 42' ' ' GLU . . . . . . . . . . . . . 32.8 tt0 -54.96 -25.35 29.04 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.143 -0.48 . . . . 74.21 110.863 -179.863 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 43' ' ' GLU . . . . . . . . . . . . . 2.8 mm-40 -54.12 -34.78 61.17 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.142 -0.481 . . . . 72.13 110.922 -179.922 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 44' ' ' ALA . . . . . . . . . . . . . . . -51.66 -41.76 61.6 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.176 -0.466 . . . . 74.21 111.068 179.938 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 45' ' ' ALA . . . . . . . . . . . . . . . -75.23 -23.45 57.55 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.173 -0.467 . . . . 74.41 111.082 179.963 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 46' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -78.07 -50.14 12.62 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.316 -0.402 . . . . 75.51 110.847 179.946 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 47' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -55.55 -55.09 35.98 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.203 -0.453 . . . . 62.12 110.859 179.961 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 48' ' ' ALA . . . . . 0.704 ' HA ' HD12 ' B' ' 51' ' ' LEU . . . -51.9 -36.83 50.13 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.322 -0.399 . . . . 71.21 111.085 179.822 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 49' ' ' GLU . . . . . . . . . . . . . 1.4 tt0 -64.0 -45.02 90.84 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.232 -0.44 . . . . 73.41 110.85 -179.893 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 50' ' ' GLU . . . . . . . . . . . . . 6.2 mm-40 -74.13 -27.17 60.73 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.182 -0.463 . . . . 72.24 110.846 -179.934 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 51' ' ' LEU . . . . . 0.813 HD23 HD22 ' A' ' 40' ' ' LEU . 12.0 mt -72.68 -52.08 16.74 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.191 -0.459 . . . . 74.4 110.886 -179.936 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 52' ' ' PHE . . . . . . . . . . . . . 71.5 t80 -54.61 -33.7 60.87 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.157 -0.474 . . . . 73.32 110.88 179.959 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 53' ' ' LYS . . . . . . . . . . . . . 1.9 mmmm -52.52 -59.27 4.65 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.15 -0.477 . . . . 72.32 110.859 179.959 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 54' ' ' LEU . . . . . . . . . . . . . 4.5 mm? -75.29 -25.0 57.57 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.288 -0.415 . . . . 63.21 110.902 179.956 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 55' ' ' ALA . . . . . 0.449 ' C ' HD12 ' B' ' 59' ' ' LEU . . . -53.95 -38.0 64.49 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.218 -0.446 . . . . 74.23 111.158 179.769 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 56' ' ' GLU . . . . . 0.507 ' HB2' HD21 ' B' ' 62' ' ' LEU . 15.9 mt-10 -52.99 -29.51 29.62 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.175 -0.466 . . . . 73.04 110.908 -179.934 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 57' ' ' GLU . . . . . . . . . . . . . 3.1 tm-20 -70.37 -47.7 59.74 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.138 -0.483 . . . . 73.11 110.888 -179.909 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 58' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -77.88 -13.4 59.9 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.163 -0.471 . . . . 74.34 110.912 -179.965 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 59' ' ' LEU . . . . . 0.715 HD22 ' HA ' ' B' ' 6' ' ' GLU . 11.5 mt -95.11 -60.93 1.57 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.152 -0.476 . . . . 74.12 110.942 179.962 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 60' ' ' LYS . . . . . 0.507 ' HE3' HD23 ' B' ' 62' ' ' LEU . 0.0 OUTLIER -119.8 -175.64 3.01 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.155 -0.475 . . . . 74.15 110.889 179.823 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' B' B ' 61' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -109.52 89.66 3.07 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.243 -0.435 . . . . 55.03 110.908 179.869 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 62' ' ' LEU . . . . . 0.507 HD21 ' HB2' ' B' ' 56' ' ' GLU . 0.6 OUTLIER . . . . . 0 C--N 1.328 -0.327 0 CA-C-N 116.185 -0.461 . . . . 63.44 110.919 179.968 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER . . . . . 0 C--O 1.231 0.106 0 CA-C-O 120.95 0.405 . . . . 73.41 110.863 . . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -127.6 -48.62 1.4 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.188 -0.46 . . . . 74.25 110.921 179.813 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 4.4 mm? -52.27 -67.23 0.27 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.243 -0.435 . . . . 74.22 110.852 179.949 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 8.5 ptp180 -67.33 -36.43 81.43 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.184 -0.462 . . . . 70.24 110.908 -180.0 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 6' ' ' GLU . . . . . 0.428 ' CA ' HD13 ' A' ' 59' ' ' LEU . 1.2 tm-20 -54.28 -27.6 36.35 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.178 -0.465 . . . . 74.13 110.859 -179.941 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 2.1 mt-10 -56.49 -55.01 39.13 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.193 -0.458 . . . . 71.3 110.872 -179.942 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -52.96 -28.58 24.36 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.126 -0.488 . . . . 52.43 111.116 179.947 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 9' ' ' ALA . . . . . 0.43 ' CB ' ' HB1' ' A' ' 55' ' ' ALA . . . -73.94 -41.58 61.84 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.219 -0.446 . . . . 65.55 111.175 179.907 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -63.17 -34.18 77.08 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.197 -0.456 . . . . 64.55 110.864 179.982 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 63.4 mt -51.75 -43.97 63.13 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.228 -0.442 . . . . 75.23 110.973 179.884 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 12' ' ' PHE . . . . . 0.598 ' CE1' HD11 ' B' ' 26' ' ' LEU . 22.9 m-85 -74.16 -24.83 59.45 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.162 -0.472 . . . . 73.32 110.901 179.938 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 3.8 tt0 -56.37 -41.04 75.55 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.159 -0.473 . . . . 72.52 110.869 -179.934 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 8.5 mt-10 -65.04 -34.81 79.31 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.175 -0.466 . . . . 64.53 110.837 -179.955 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 15' ' ' TRP . . . . . 0.442 ' CG ' ' HB2' ' A' ' 48' ' ' ALA . 6.4 t90 -64.24 -46.35 84.18 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.226 -0.443 . . . . 75.55 110.909 -179.94 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 5.8 ptmm? -77.53 -26.97 51.52 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.26 -0.427 . . . . 63.04 110.913 179.885 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -75.05 -59.73 2.61 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.215 -0.448 . . . . 63.32 110.916 179.862 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 95.5 mt -54.85 -29.55 55.45 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.231 -0.44 . . . . 74.11 110.899 179.921 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -66.0 -27.86 68.44 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.148 -0.478 . . . . 75.44 111.117 179.795 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 2.2 mt-10 -73.42 -49.41 27.16 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.167 -0.469 . . . . 74.33 110.915 -179.936 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 1.8 mm-40 -72.74 -51.2 20.14 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.138 -0.483 . . . . 73.31 110.903 -179.956 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -54.09 -30.74 49.57 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.104 -0.498 . . . . 64.31 111.123 179.896 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -71.07 -54.44 11.12 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.219 -0.446 . . . . 52.45 111.021 179.953 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -63.54 -34.17 77.2 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.203 -0.453 . . . . 75.31 110.96 179.986 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 5.8 mt -76.64 -39.22 52.99 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.15 -0.477 . . . . 73.44 110.943 179.882 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 6.5 mt -50.61 -50.68 53.46 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.236 -0.438 . . . . 73.13 110.907 179.875 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 7.0 mm-40 -90.74 12.44 19.15 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.176 -0.466 . . . . 71.51 110.874 -179.991 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . -59.45 -14.52 27.87 Favored Glycine 0 N--CA 1.452 -0.292 0 C-N-CA 120.763 -0.732 . . . . 70.11 112.423 -179.941 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . 135.47 45.49 0.1 OUTLIER Glycine 0 N--CA 1.452 -0.279 0 C-N-CA 120.72 -0.753 . . . . 74.43 112.494 -179.844 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . -95.89 -75.66 1.28 Allowed Glycine 0 N--CA 1.452 -0.266 0 C-N-CA 120.769 -0.729 . . . . 64.11 112.446 -179.879 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . 176.61 126.35 0.96 Allowed Glycine 0 N--CA 1.452 -0.291 0 C-N-CA 120.745 -0.74 . . . . 54.23 112.436 -179.897 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . -168.66 -152.32 7.64 Favored Glycine 0 N--CA 1.452 -0.278 0 C-N-CA 120.69 -0.767 . . . . 44.24 112.475 -179.947 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . 179.67 -40.43 0.08 OUTLIER Glycine 0 N--CA 1.451 -0.331 0 C-N-CA 120.821 -0.704 . . . . 63.34 112.528 -179.872 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . -112.27 152.09 17.9 Favored Glycine 0 N--CA 1.451 -0.335 0 C-N-CA 120.772 -0.727 . . . . 75.4 112.465 -179.922 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . -63.54 -25.74 69.04 Favored Glycine 0 N--CA 1.451 -0.306 0 C-N-CA 120.694 -0.765 . . . . 54.44 112.492 -179.961 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 27.9 tt0 -52.71 -31.97 40.46 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.858 0.361 . . . . 72.44 110.936 -179.906 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 46.7 tp -53.44 -54.78 31.99 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.119 -0.491 . . . . 72.32 110.938 179.961 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 38' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -70.87 -36.34 72.75 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.196 -0.456 . . . . 53.01 110.89 179.835 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 30.9 tttt -54.12 -27.93 36.42 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.23 -0.441 . . . . 75.11 110.867 179.975 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 7.0 mt -69.99 -47.2 63.17 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.272 -0.422 . . . . 62.55 110.895 179.933 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 41' ' ' CYS . . . . . 0.506 ' HA ' HD11 ' B' ' 51' ' ' LEU . 34.9 t -74.86 -29.92 61.17 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.179 -0.464 . . . . 70.21 110.827 179.994 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 16.8 mm-40 -58.03 -25.83 61.65 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.202 -0.454 . . . . 73.35 110.946 -179.955 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 6.1 mm-40 -54.83 -37.37 66.07 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.21 -0.45 . . . . 72.43 110.839 -179.92 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 44' ' ' ALA . . . . . 0.426 ' HB2' ' CZ3' ' B' ' 15' ' ' TRP . . . -51.78 -41.88 61.99 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.168 -0.469 . . . . 74.4 111.114 179.952 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -75.16 -22.83 57.83 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.255 -0.429 . . . . 55.13 111.074 179.919 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -74.97 -49.33 20.34 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.219 -0.446 . . . . 73.4 110.834 -179.984 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 9.2 mmpt? -72.99 -49.41 29.21 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.229 -0.442 . . . . 72.41 110.889 179.932 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 48' ' ' ALA . . . . . 0.442 ' HB2' ' CG ' ' A' ' 15' ' ' TRP . . . -51.99 -29.63 21.52 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.238 -0.437 . . . . 72.34 111.11 179.821 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 16.4 tt0 -74.69 -48.1 27.86 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.235 -0.439 . . . . 73.14 110.866 -179.966 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -56.02 -43.91 78.2 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.205 -0.452 . . . . 75.1 110.832 -179.885 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 51' ' ' LEU . . . . . 0.589 HD22 ' CZ ' ' A' ' 12' ' ' PHE . 8.5 mt -73.14 -46.85 48.63 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.144 -0.48 . . . . 62.12 110.892 -179.975 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 52' ' ' PHE . . . . . . . . . . . . . 65.1 t80 -56.5 -24.96 49.75 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.24 -0.437 . . . . 74.2 110.878 179.98 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -68.05 -47.71 67.59 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.148 -0.478 . . . . 74.42 110.889 179.915 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 54' ' ' LEU . . . . . 0.627 HD23 HH12 ' A' ' 58' ' ' ARG . 1.1 tp -73.28 -24.09 60.38 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.29 -0.414 . . . . 71.21 110.958 179.919 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 55' ' ' ALA . . . . . 0.43 ' HB1' ' CB ' ' A' ' 9' ' ' ALA . . . -55.93 -24.81 40.07 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.17 -0.468 . . . . 63.54 111.123 179.761 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 56' ' ' GLU . . . . . 0.649 ' HB2' HD11 ' A' ' 62' ' ' LEU . 9.4 mt-10 -77.53 -26.31 50.93 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.211 -0.45 . . . . 71.01 110.831 -179.942 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 19.7 tp10 -65.43 -49.38 69.41 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.236 -0.438 . . . . 74.41 110.831 -179.918 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 58' ' ' ARG . . . . . 0.627 HH12 HD23 ' A' ' 54' ' ' LEU . 0.0 OUTLIER -78.62 -15.33 58.65 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.182 -0.463 . . . . 64.31 110.849 -179.876 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 59' ' ' LEU . . . . . 0.428 HD13 ' CA ' ' A' ' 6' ' ' GLU . 22.2 tp -92.6 -76.99 0.45 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.221 -0.445 . . . . 74.3 110.867 -179.922 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -102.49 -175.09 2.72 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.201 -0.454 . . . . 70.5 110.917 179.83 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 24.4 tttt -118.21 90.69 3.39 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.248 -0.433 . . . . 73.31 110.944 179.837 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 62' ' ' LEU . . . . . 0.649 HD11 ' HB2' ' A' ' 56' ' ' GLU . 2.8 mt . . . . . 0 C--N 1.329 -0.32 0 CA-C-N 116.259 -0.428 . . . . 73.0 110.896 179.967 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 1' ' ' MET . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 C--O 1.231 0.087 0 CA-C-O 120.815 0.34 . . . . 55.33 110.861 . . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 2' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -155.06 -179.94 8.54 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.242 -0.435 . . . . 73.51 110.956 179.938 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 3' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -127.68 -48.39 1.39 Allowed 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.245 -0.434 . . . . 75.33 110.929 179.872 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 4' ' ' LEU . . . . . . . . . . . . . 4.4 mm? -52.13 -67.38 0.26 Allowed 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.22 -0.446 . . . . 51.5 110.872 179.915 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 5' ' ' ARG . . . . . . . . . . . . . 8.6 ptp180 -67.32 -36.37 81.33 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.205 -0.452 . . . . 73.04 110.867 179.941 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 6' ' ' GLU . . . . . 0.44 ' CA ' HD13 ' B' ' 59' ' ' LEU . 1.2 tm-20 -53.97 -28.93 40.57 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.258 -0.428 . . . . 64.55 110.845 -179.899 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 7' ' ' GLU . . . . . . . . . . . . . 2.1 mt-10 -57.33 -56.37 22.71 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.182 -0.463 . . . . 62.25 110.842 -179.913 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 8' ' ' ALA . . . . . . . . . . . . . . . -54.05 -27.14 30.51 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.159 -0.473 . . . . 61.24 111.12 179.914 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 9' ' ' ALA . . . . . 0.527 ' CB ' ' HB1' ' B' ' 55' ' ' ALA . . . -73.55 -41.38 63.04 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.23 -0.441 . . . . 41.43 111.102 179.96 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 10' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -62.48 -33.53 75.04 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.228 -0.442 . . . . 51.42 110.879 179.985 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 11' ' ' LEU . . . . . . . . . . . . . 62.1 mt -51.89 -43.54 63.36 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.215 -0.448 . . . . 73.21 110.859 179.971 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 12' ' ' PHE . . . . . 0.61 ' CE1' HD13 ' B' ' 51' ' ' LEU . 24.7 m-85 -74.12 -26.76 60.52 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.252 -0.431 . . . . 74.53 110.855 179.951 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 13' ' ' GLU . . . . . . . . . . . . . 3.7 tt0 -62.96 -45.06 94.25 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.177 -0.465 . . . . 73.41 110.888 -179.905 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 14' ' ' GLU . . . . . . . . . . . . . 8.4 mt-10 -74.4 -32.5 62.71 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.117 -0.492 . . . . 62.32 110.912 -179.937 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 15' ' ' TRP . . . . . 0.426 ' CZ3' ' HB2' ' A' ' 44' ' ' ALA . 0.6 OUTLIER -60.83 -44.63 96.67 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.162 -0.472 . . . . 70.14 110.893 -179.961 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' B' B ' 16' ' ' LYS . . . . . . . . . . . . . 5.7 ptmm? -77.08 -24.64 51.85 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.227 -0.442 . . . . 75.32 110.892 179.929 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 17' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -74.81 -51.44 14.03 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.196 -0.456 . . . . 64.14 110.931 179.854 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 18' ' ' LEU . . . . . . . . . . . . . 97.5 mt -54.96 -28.45 51.48 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.254 -0.43 . . . . 74.35 110.843 179.917 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 19' ' ' ALA . . . . . . . . . . . . . . . -64.2 -25.54 68.12 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.244 -0.435 . . . . 65.43 111.09 179.85 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 20' ' ' GLU . . . . . . . . . . . . . 2.1 mt-10 -73.13 -49.37 28.67 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.203 -0.453 . . . . 61.51 110.835 -179.89 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 21' ' ' GLU . . . . . . . . . . . . . 1.8 mm-40 -72.16 -51.2 22.39 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.167 -0.469 . . . . 64.4 110.889 -179.907 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 22' ' ' ALA . . . . . . . . . . . . . . . -54.44 -30.75 53.69 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.115 -0.493 . . . . 52.5 111.155 179.923 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 23' ' ' ALA . . . . . . . . . . . . . . . -71.16 -54.34 11.37 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.168 -0.469 . . . . 75.15 111.085 179.972 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 24' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -63.42 -34.24 77.31 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.222 -0.445 . . . . 72.44 110.974 179.902 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 25' ' ' LEU . . . . . 0.416 HD23 ' HA ' ' B' ' 25' ' ' LEU . 6.0 mt -76.68 -39.33 52.48 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.174 -0.466 . . . . 62.22 110.907 179.915 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 26' ' ' LEU . . . . . 0.598 HD11 ' CE1' ' A' ' 12' ' ' PHE . 6.5 mt -50.69 -50.17 55.58 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.14 -0.482 . . . . 75.22 110.974 179.917 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 27' ' ' GLU . . . . . . . . . . . . . 7.1 mm-40 -90.8 12.39 19.44 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.221 -0.445 . . . . 74.11 110.891 179.869 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 28' ' ' GLY . . . . . . . . . . . . . . . -59.25 -14.6 26.81 Favored Glycine 0 N--CA 1.451 -0.356 0 C-N-CA 120.76 -0.734 . . . . 62.25 112.528 179.945 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 29' ' ' GLY . . . . . . . . . . . . . . . 136.46 45.25 0.09 OUTLIER Glycine 0 N--CA 1.452 -0.291 0 C-N-CA 120.719 -0.753 . . . . 73.32 112.476 -179.931 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 30' ' ' GLY . . . . . . . . . . . . . . . -96.03 -73.15 1.16 Allowed Glycine 0 N--CA 1.451 -0.335 0 C-N-CA 120.764 -0.731 . . . . 72.23 112.503 -179.93 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 31' ' ' GLY . . . . . . . . . . . . . . . 178.45 124.75 0.88 Allowed Glycine 0 N--CA 1.45 -0.372 0 C-N-CA 120.751 -0.738 . . . . 42.01 112.495 -179.945 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 32' ' ' GLY . . . . . . . . . . . . . . . -169.74 -150.68 6.95 Favored Glycine 0 N--CA 1.451 -0.335 0 C-N-CA 120.741 -0.743 . . . . 63.21 112.494 -179.919 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 33' ' ' GLY . . . . . . . . . . . . . . . -179.23 -40.19 0.07 OUTLIER Glycine 0 N--CA 1.451 -0.355 0 C-N-CA 120.784 -0.722 . . . . 73.4 112.465 -179.865 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 34' ' ' GLY . . . . . . . . . . . . . . . -112.64 152.13 17.98 Favored Glycine 0 N--CA 1.45 -0.383 0 C-N-CA 120.728 -0.749 . . . . 32.44 112.528 -179.893 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 35' ' ' GLY . . . . . . . . . . . . . . . -63.25 -25.57 68.48 Favored Glycine 0 N--CA 1.451 -0.332 0 C-N-CA 120.714 -0.755 . . . . 41.33 112.538 -179.95 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 36' ' ' GLU . . . . . . . . . . . . . 27.7 tt0 -52.59 -30.45 31.16 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.879 0.371 . . . . 74.2 110.907 -179.917 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 37' ' ' LEU . . . . . . . . . . . . . 49.0 tp -51.94 -54.99 23.07 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.103 -0.499 . . . . 73.33 110.92 -179.973 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 38' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -71.12 -39.14 72.22 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.195 -0.457 . . . . 50.51 110.82 179.865 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 39' ' ' LYS . . . . . . . . . . . . . 31.1 tttt -56.32 -28.11 57.81 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.248 -0.433 . . . . 72.14 110.881 -179.984 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 40' ' ' LEU . . . . . . . . . . . . . 6.9 mt -70.98 -46.11 62.88 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.207 -0.451 . . . . 73.02 110.93 179.963 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 41' ' ' CYS . . . . . . . . . . . . . 29.2 t -74.58 -27.43 60.48 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.178 -0.464 . . . . 53.43 110.894 179.937 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 42' ' ' GLU . . . . . . . . . . . . . 16.7 mm-40 -54.28 -25.76 25.39 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.212 -0.449 . . . . 62.12 110.896 -179.875 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 43' ' ' GLU . . . . . . . . . . . . . 6.2 mm-40 -55.47 -33.62 63.81 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.167 -0.47 . . . . 45.1 110.897 -179.981 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 44' ' ' ALA . . . . . . . . . . . . . . . -51.2 -43.49 61.37 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.101 -0.5 . . . . 25.44 111.118 179.966 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 45' ' ' ALA . . . . . . . . . . . . . . . -75.33 -22.74 57.39 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.16 -0.473 . . . . 62.45 111.099 179.921 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 46' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -77.43 -50.34 12.9 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.236 -0.438 . . . . 73.3 110.978 179.882 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 47' ' ' LYS . . . . . . . . . . . . . 9.2 mmpt? -70.6 -54.05 13.53 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.207 -0.452 . . . . 40.42 110.913 179.823 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 48' ' ' ALA . . . . . . . . . . . . . . . -52.05 -29.55 21.73 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.222 -0.445 . . . . 75.32 111.096 179.849 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 49' ' ' GLU . . . . . . . . . . . . . 16.4 tt0 -77.08 -48.17 18.54 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.215 -0.448 . . . . 63.3 110.849 -179.932 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 50' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -53.96 -39.62 66.12 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.135 -0.484 . . . . 71.13 110.926 -179.921 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 51' ' ' LEU . . . . . 0.61 HD13 ' CE1' ' B' ' 12' ' ' PHE . 8.3 mt -72.27 -42.84 65.11 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.135 -0.484 . . . . 35.21 110.928 -179.993 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 52' ' ' PHE . . . . . . . . . . . . . 65.8 t80 -56.08 -25.24 44.57 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.214 -0.448 . . . . 73.54 110.932 179.886 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 53' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -67.9 -47.95 67.38 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.085 -0.507 . . . . 72.24 110.846 -179.995 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 54' ' ' LEU . . . . . 0.618 HD23 HH12 ' B' ' 58' ' ' ARG . 1.1 tp -72.63 -24.05 61.01 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.2 -0.455 . . . . 71.23 110.912 179.919 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 55' ' ' ALA . . . . . 0.527 ' HB1' ' CB ' ' B' ' 9' ' ' ALA . . . -55.99 -24.8 41.03 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.232 -0.44 . . . . 52.43 111.175 179.765 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 56' ' ' GLU . . . . . 0.624 ' HB2' HD11 ' B' ' 62' ' ' LEU . 9.6 mt-10 -77.57 -26.07 50.55 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.176 -0.466 . . . . 74.02 110.924 -179.956 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 57' ' ' GLU . . . . . . . . . . . . . 19.7 tp10 -65.35 -49.27 70.0 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.172 -0.467 . . . . 65.15 110.884 -179.951 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 58' ' ' ARG . . . . . 0.618 HH12 HD23 ' B' ' 54' ' ' LEU . 0.0 OUTLIER -78.72 -15.61 58.24 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.202 -0.453 . . . . 74.22 110.84 -179.919 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' B' B ' 59' ' ' LEU . . . . . 0.44 HD13 ' CA ' ' B' ' 6' ' ' GLU . 22.7 tp -92.06 -77.05 0.44 Allowed 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.187 -0.46 . . . . 62.4 110.937 179.986 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 60' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -102.42 -175.2 2.76 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.234 -0.439 . . . . 75.43 110.899 179.821 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 61' ' ' LYS . . . . . . . . . . . . . 24.4 tttt -118.43 90.65 3.38 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.242 -0.436 . . . . 64.34 110.906 179.887 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 62' ' ' LEU . . . . . 0.624 HD11 ' HB2' ' B' ' 56' ' ' GLU . 2.8 mt . . . . . 0 C--N 1.328 -0.345 0 CA-C-N 116.24 -0.436 . . . . 50.12 110.946 179.934 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.231 0.116 0 CA-C-O 120.823 0.344 . . . . 64.24 110.889 . . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 11.5 tttt -139.19 -74.13 0.38 Allowed 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.236 -0.438 . . . . 72.53 110.873 179.837 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 4' ' ' LEU . . . . . 0.527 ' H ' HD23 ' A' ' 4' ' ' LEU . 2.1 pt? -125.36 -1.56 7.55 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.243 -0.435 . . . . 64.44 110.864 -179.997 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 16.5 mmt180 -64.9 -29.36 70.31 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.216 -0.447 . . . . 72.25 110.845 179.981 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 1.8 mt-10 -57.27 -28.13 62.71 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.171 -0.468 . . . . 70.43 110.883 -179.932 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 3.4 mm-40 -54.76 -35.51 63.84 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.22 -0.445 . . . . 63.22 110.943 -179.98 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -72.0 -27.0 62.45 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.11 -0.495 . . . . 74.21 111.07 179.972 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 9' ' ' ALA . . . . . 0.476 ' N ' HD22 ' A' ' 59' ' ' LEU . . . -60.67 -40.35 91.78 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.203 -0.453 . . . . 72.3 111.096 179.947 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 11.9 mtmt -58.56 -30.49 67.18 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.175 -0.466 . . . . 61.12 110.894 179.975 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 61.3 mt -51.92 -44.59 63.92 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.227 -0.442 . . . . 74.22 110.878 179.939 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 24.3 m-85 -73.94 -25.86 60.19 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.172 -0.467 . . . . 71.13 110.916 179.978 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 1.2 tt0 -58.44 -38.49 77.59 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.145 -0.48 . . . . 53.34 110.933 -179.969 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 22.7 mt-10 -74.0 -35.12 64.4 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.136 -0.483 . . . . 64.44 110.897 -179.935 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 15' ' ' TRP . . . . . . . . . . . . . 14.3 m0 -54.98 -53.16 59.22 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.15 -0.477 . . . . 74.41 110.87 -179.929 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -70.94 -26.03 63.01 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.201 -0.454 . . . . 71.43 110.896 -179.985 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -69.08 -60.02 2.64 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.194 -0.457 . . . . 62.12 110.939 179.844 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 18' ' ' LEU . . . . . 1.037 HD13 HD13 ' B' ' 18' ' ' LEU . 2.5 mt -56.53 -25.19 51.1 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.289 -0.414 . . . . 72.52 110.895 179.857 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -73.34 -29.53 62.73 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.249 -0.432 . . . . 75.14 111.079 179.838 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 21.1 tt0 -73.14 -49.95 25.42 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.248 -0.433 . . . . 71.51 110.89 -179.862 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 9.6 pt-20 -56.79 -46.42 81.57 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.073 -0.512 . . . . 63.14 110.915 -179.958 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -64.2 -32.95 74.72 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.121 -0.49 . . . . 73.13 111.12 179.928 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -70.95 -49.71 42.59 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.16 -0.473 . . . . 64.24 111.124 179.938 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -64.45 -36.66 84.9 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.244 -0.435 . . . . 71.51 110.839 179.936 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 11.2 mt -76.65 -38.75 54.04 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.307 -0.406 . . . . 71.43 110.934 179.942 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 6.2 mt -50.22 -46.31 54.55 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.212 -0.449 . . . . 73.32 110.957 179.828 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 37.1 mt-10 -89.4 -11.6 42.72 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.161 -0.472 . . . . 52.43 110.93 179.913 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . 67.32 29.86 74.73 Favored Glycine 0 N--CA 1.452 -0.276 0 C-N-CA 120.706 -0.759 . . . . 61.14 112.495 -179.98 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . 85.85 19.96 56.77 Favored Glycine 0 N--CA 1.452 -0.29 0 C-N-CA 120.685 -0.769 . . . . 52.31 112.507 -179.885 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . 134.39 112.71 1.3 Allowed Glycine 0 N--CA 1.452 -0.285 0 C-N-CA 120.737 -0.744 . . . . 53.31 112.466 -179.872 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . 143.12 -157.12 26.79 Favored Glycine 0 N--CA 1.45 -0.386 0 C-N-CA 120.76 -0.733 . . . . 72.04 112.522 -179.934 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . 91.48 166.21 40.08 Favored Glycine 0 N--CA 1.452 -0.286 0 C-N-CA 120.766 -0.731 . . . . 65.53 112.44 -179.902 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -76.16 80.45 1.11 Allowed Glycine 0 N--CA 1.451 -0.35 0 C-N-CA 120.696 -0.764 . . . . 34.12 112.492 -179.91 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 74.7 173.12 30.39 Favored Glycine 0 N--CA 1.452 -0.235 0 C-N-CA 120.676 -0.773 . . . . 61.42 112.422 -179.943 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . -100.56 -22.53 11.21 Favored Glycine 0 N--CA 1.451 -0.326 0 C-N-CA 120.77 -0.728 . . . . 73.12 112.489 -179.932 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 2.9 tt0 -61.38 -41.88 97.81 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.907 0.384 . . . . 71.23 110.865 -179.905 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 52.6 tp -58.41 -48.95 78.99 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.087 -0.506 . . . . 74.31 110.896 -179.936 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 38' ' ' MET . . . . . . . . . . . . . 1.3 ttp -72.12 -28.19 63.11 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.168 -0.469 . . . . 74.23 110.891 179.859 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -54.89 -28.16 48.36 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.236 -0.438 . . . . 74.54 110.933 179.934 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 16.9 mt -72.07 -33.45 67.93 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.217 -0.447 . . . . 61.33 110.876 179.958 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 41' ' ' CYS . . . . . . . . . . . . . 33.4 m -72.0 -39.27 69.35 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 116.187 -0.46 . . . . 64.21 110.848 179.942 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 2.7 tt0 -61.33 -26.52 67.86 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.231 -0.441 . . . . 63.34 110.897 -179.854 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 3.6 mm-40 -55.44 -26.31 41.32 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.125 -0.489 . . . . 73.41 110.886 -179.998 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -52.5 -43.68 65.21 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.188 -0.46 . . . . 62.32 111.139 179.966 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -75.07 -25.13 58.37 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.225 -0.443 . . . . 70.22 111.064 179.939 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -67.86 -46.06 72.81 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.202 -0.453 . . . . 62.53 110.935 179.967 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -55.49 -54.33 45.28 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.222 -0.445 . . . . 64.22 110.901 179.832 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -61.11 -31.45 71.15 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.213 -0.449 . . . . 53.45 111.132 179.808 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 9.6 mt-10 -74.09 -30.19 62.22 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.223 -0.444 . . . . 72.31 110.877 -179.946 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 18.1 tt0 -71.38 -50.8 28.51 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.1 -0.5 . . . . 62.05 110.914 -179.867 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 2.5 pp -69.64 -29.36 66.82 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.108 -0.496 . . . . 74.43 110.893 -179.986 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 52' ' ' PHE . . . . . . . . . . . . . 83.8 t80 -56.39 -26.56 53.49 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.15 -0.477 . . . . 75.04 110.922 179.922 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -57.41 -57.58 12.03 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.175 -0.466 . . . . 74.33 110.916 179.948 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 54' ' ' LEU . . . . . . . . . . . . . 9.5 mt -73.9 -43.8 57.28 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.212 -0.449 . . . . 73.41 110.924 179.9 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -57.56 -27.21 62.46 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.183 -0.462 . . . . 70.41 111.079 179.863 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 1.8 tt0 -62.69 -32.55 73.65 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.21 -0.45 . . . . 75.43 110.902 -179.917 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 30.4 tt0 -59.0 -54.23 49.5 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.162 -0.472 . . . . 54.15 110.834 -179.913 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -77.62 -29.03 51.62 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.154 -0.475 . . . . 70.54 110.85 -179.905 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 59' ' ' LEU . . . . . 0.476 HD22 ' N ' ' A' ' 9' ' ' ALA . 19.7 mt -67.11 -59.73 3.21 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.298 -0.41 . . . . 75.44 110.87 -179.943 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -122.95 -89.24 0.6 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.239 -0.437 . . . . 75.02 110.848 179.874 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 174.24 34.59 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.238 -0.437 . . . . 73.21 110.862 179.842 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 C--N 1.328 -0.347 0 CA-C-N 116.192 -0.458 . . . . 64.51 110.938 179.91 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 1' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.231 0.117 0 CA-C-O 120.777 0.322 . . . . 72.34 110.896 . . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 2' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -86.4 164.32 17.1 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.227 -0.442 . . . . 74.04 110.973 179.902 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 3' ' ' LYS . . . . . . . . . . . . . 11.5 tttt -139.12 -74.21 0.38 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.258 -0.428 . . . . 71.21 110.901 179.896 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 4' ' ' LEU . . . . . 0.517 ' H ' HD23 ' B' ' 4' ' ' LEU . 2.1 pt? -125.32 -1.61 7.58 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.155 -0.475 . . . . 75.41 110.894 179.933 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 5' ' ' ARG . . . . . . . . . . . . . 16.5 mmt180 -64.9 -29.37 70.31 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.213 -0.449 . . . . 51.44 110.87 179.995 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 6' ' ' GLU . . . . . . . . . . . . . 1.8 mt-10 -57.37 -28.23 63.0 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.206 -0.452 . . . . 74.45 110.875 -179.919 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 7' ' ' GLU . . . . . . . . . . . . . 3.4 mm-40 -54.77 -35.49 63.85 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.112 -0.494 . . . . 73.01 110.925 -179.933 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 8' ' ' ALA . . . . . 0.41 ' HB3' ' CD2' ' B' ' 59' ' ' LEU . . . -72.1 -27.08 62.41 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.121 -0.49 . . . . 64.02 111.079 179.929 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 9' ' ' ALA . . . . . 0.477 ' N ' HD22 ' B' ' 59' ' ' LEU . . . -60.67 -40.31 91.6 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.251 -0.431 . . . . 74.3 111.125 179.924 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 10' ' ' LYS . . . . . . . . . . . . . 11.9 mtmt -58.54 -30.5 67.16 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.276 -0.42 . . . . 71.35 110.91 179.925 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 11' ' ' LEU . . . . . . . . . . . . . 60.9 mt -52.03 -44.49 64.21 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.246 -0.434 . . . . 63.25 110.889 179.982 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 12' ' ' PHE . . . . . . . . . . . . . 24.3 m-85 -73.96 -25.9 60.19 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.187 -0.461 . . . . 72.01 110.889 179.927 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 13' ' ' GLU . . . . . . . . . . . . . 1.3 tt0 -58.59 -38.33 77.7 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.111 -0.495 . . . . 73.33 110.798 -179.845 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 14' ' ' GLU . . . . . . . . . . . . . 22.8 mt-10 -74.11 -34.89 64.09 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.209 -0.45 . . . . 74.53 110.875 -179.9 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 15' ' ' TRP . . . . . . . . . . . . . 14.1 m0 -55.05 -53.12 59.86 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 116.126 -0.488 . . . . 75.05 110.95 -179.935 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 16' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -70.96 -26.14 63.04 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.201 -0.454 . . . . 73.11 110.882 179.888 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 17' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -68.99 -59.99 2.67 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.233 -0.44 . . . . 72.14 110.948 179.854 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 18' ' ' LEU . . . . . 1.037 HD13 HD13 ' A' ' 18' ' ' LEU . 2.5 mt -56.75 -25.13 54.21 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.145 -0.479 . . . . 63.32 110.889 179.905 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 19' ' ' ALA . . . . . . . . . . . . . . . -73.37 -29.6 62.74 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.217 -0.447 . . . . 73.32 111.073 179.79 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 20' ' ' GLU . . . . . . . . . . . . . 21.1 tt0 -73.07 -49.9 25.94 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.206 -0.452 . . . . 75.31 110.965 -179.87 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 21' ' ' GLU . . . . . . . . . . . . . 9.7 pt-20 -56.82 -46.5 81.62 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.127 -0.488 . . . . 75.02 110.897 179.989 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 22' ' ' ALA . . . . . . . . . . . . . . . -64.13 -32.97 74.74 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.16 -0.473 . . . . 74.21 111.137 179.918 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 23' ' ' ALA . . . . . . . . . . . . . . . -70.86 -49.77 42.47 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.193 -0.458 . . . . 70.31 111.096 179.94 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 24' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -64.49 -36.62 84.79 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.195 -0.457 . . . . 73.43 110.897 179.987 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 25' ' ' LEU . . . . . 0.421 HD23 ' HA ' ' B' ' 25' ' ' LEU . 11.2 mt -76.66 -38.75 54.01 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.179 -0.464 . . . . 70.3 110.871 179.947 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 26' ' ' LEU . . . . . . . . . . . . . 6.1 mt -50.38 -46.18 55.87 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.25 -0.432 . . . . 71.54 110.954 179.94 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 27' ' ' GLU . . . . . . . . . . . . . 37.3 mt-10 -89.39 -11.7 42.46 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 116.204 -0.453 . . . . 75.24 110.885 179.882 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 28' ' ' GLY . . . . . . . . . . . . . . . 67.31 29.93 74.83 Favored Glycine 0 N--CA 1.452 -0.268 0 C-N-CA 120.764 -0.731 . . . . 74.42 112.507 -179.924 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 29' ' ' GLY . . . . . . . . . . . . . . . 85.78 20.07 56.69 Favored Glycine 0 N--CA 1.451 -0.339 0 C-N-CA 120.749 -0.738 . . . . 32.5 112.541 -179.93 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 30' ' ' GLY . . . . . . . . . . . . . . . 134.37 112.64 1.29 Allowed Glycine 0 N--CA 1.45 -0.374 0 C-N-CA 120.779 -0.724 . . . . 73.41 112.461 -179.903 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 31' ' ' GLY . . . . . . . . . . . . . . . 143.22 -157.05 26.8 Favored Glycine 0 N--CA 1.451 -0.348 0 C-N-CA 120.679 -0.772 . . . . 70.32 112.427 -179.976 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 32' ' ' GLY . . . . . . . . . . . . . . . 91.39 166.18 40.17 Favored Glycine 0 N--CA 1.452 -0.271 0 C-N-CA 120.71 -0.757 . . . . 54.35 112.466 -179.924 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 33' ' ' GLY . . . . . . . . . . . . . . . -76.14 80.57 1.1 Allowed Glycine 0 N--CA 1.452 -0.295 0 C-N-CA 120.697 -0.763 . . . . 52.11 112.447 -179.87 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 34' ' ' GLY . . . . . . . . . . . . . . . 74.59 173.14 30.02 Favored Glycine 0 N--CA 1.45 -0.376 0 C-N-CA 120.755 -0.736 . . . . 54.0 112.444 -179.988 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 35' ' ' GLY . . . . . . . . . . . . . . . -100.58 -22.54 11.16 Favored Glycine 0 N--CA 1.452 -0.245 0 C-N-CA 120.719 -0.753 . . . . 54.44 112.462 -179.88 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 36' ' ' GLU . . . . . . . . . . . . . 2.9 tt0 -61.44 -41.73 97.65 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.85 0.357 . . . . 64.13 110.966 -179.941 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 37' ' ' LEU . . . . . . . . . . . . . 52.5 tp -58.41 -48.88 79.23 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.145 -0.48 . . . . 62.45 110.957 179.943 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 38' ' ' MET . . . . . . . . . . . . . 1.3 ttp -72.18 -28.2 63.06 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.108 -0.496 . . . . 72.43 110.912 179.854 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 39' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -54.96 -28.22 49.73 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.238 -0.437 . . . . 74.4 110.915 179.937 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 40' ' ' LEU . . . . . . . . . . . . . 16.9 mt -72.01 -33.45 68.07 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.243 -0.435 . . . . 70.2 110.942 179.874 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 41' ' ' CYS . . . . . . . . . . . . . 33.4 m -71.87 -39.35 69.71 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.181 -0.463 . . . . 53.11 110.883 179.902 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 42' ' ' GLU . . . . . . . . . . . . . 2.7 tt0 -61.27 -26.55 67.84 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.214 -0.448 . . . . 74.4 110.87 -179.84 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 43' ' ' GLU . . . . . . . . . . . . . 3.6 mm-40 -55.51 -26.21 41.59 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.232 -0.44 . . . . 74.5 110.901 -179.974 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 44' ' ' ALA . . . . . . . . . . . . . . . -52.53 -43.75 65.34 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.173 -0.467 . . . . 72.11 111.053 179.969 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 45' ' ' ALA . . . . . . . . . . . . . . . -75.0 -25.12 58.59 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.206 -0.452 . . . . 72.44 111.02 179.988 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 46' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -68.03 -46.14 72.02 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.237 -0.438 . . . . 72.35 110.899 -179.931 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 47' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -55.59 -54.22 46.76 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.152 -0.476 . . . . 75.51 110.907 179.899 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 48' ' ' ALA . . . . . . . . . . . . . . . -61.07 -31.6 71.26 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.21 -0.45 . . . . 74.43 111.133 179.763 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 49' ' ' GLU . . . . . . . . . . . . . 9.7 mt-10 -74.06 -30.17 62.26 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.189 -0.459 . . . . 73.11 110.89 -179.923 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 50' ' ' GLU . . . . . . . . . . . . . 18.0 tt0 -71.33 -50.87 28.04 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.147 -0.478 . . . . 70.45 110.859 -179.929 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 51' ' ' LEU . . . . . . . . . . . . . 2.5 pp -69.7 -29.32 66.7 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.197 -0.456 . . . . 74.32 110.887 -179.901 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 52' ' ' PHE . . . . . . . . . . . . . 83.8 t80 -56.47 -26.59 54.52 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.227 -0.442 . . . . 74.21 110.844 179.947 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 53' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -57.37 -57.65 11.71 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.106 -0.497 . . . . 62.2 110.9 179.961 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 54' ' ' LEU . . . . . . . . . . . . . 9.5 mt -73.71 -43.91 57.92 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.202 -0.454 . . . . 64.42 110.928 179.884 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 55' ' ' ALA . . . . . . . . . . . . . . . -57.51 -27.3 62.43 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.205 -0.452 . . . . 73.12 111.116 179.831 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 56' ' ' GLU . . . . . . . . . . . . . 1.7 tt0 -62.59 -32.67 73.7 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.2 -0.454 . . . . 75.15 110.916 -179.967 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 57' ' ' GLU . . . . . . . . . . . . . 30.3 tt0 -58.97 -54.13 50.55 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.086 -0.506 . . . . 72.22 110.957 -179.941 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 58' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -77.68 -28.99 51.26 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.105 -0.498 . . . . 64.24 110.842 -179.918 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 59' ' ' LEU . . . . . 0.477 HD22 ' N ' ' B' ' 9' ' ' ALA . 19.7 mt -67.19 -59.74 3.19 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.174 -0.466 . . . . 65.35 110.892 -179.885 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 60' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -122.91 -89.21 0.6 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.146 -0.479 . . . . 70.33 110.869 179.818 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 61' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 174.23 34.46 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.209 -0.45 . . . . 73.2 110.874 179.875 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 62' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 C--N 1.328 -0.347 0 CA-C-N 116.232 -0.44 . . . . 72.12 110.908 179.894 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 C--O 1.231 0.08 0 CA-C-O 120.884 0.373 . . . . 72.5 110.889 . . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 3' ' ' LYS . . . . . 0.612 ' O ' HD22 ' A' ' 4' ' ' LEU . 12.3 mttt -150.5 25.14 0.78 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.185 -0.461 . . . . 75.22 110.907 179.864 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 4' ' ' LEU . . . . . 0.612 HD22 ' O ' ' A' ' 3' ' ' LYS . 0.3 OUTLIER -146.26 -66.52 0.29 Allowed 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.172 -0.467 . . . . 64.51 110.911 179.936 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 15.9 mtt180 -71.96 -35.7 69.62 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.168 -0.469 . . . . 65.31 110.893 179.953 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -53.91 -26.62 26.1 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.2 -0.455 . . . . 73.1 110.865 -179.907 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 1.4 mm-40 -53.48 -38.0 63.24 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.176 -0.465 . . . . 75.25 110.794 -179.93 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -65.61 -26.79 67.99 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.209 -0.45 . . . . 74.21 111.209 179.869 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 9' ' ' ALA . . . . . 0.883 ' HB2' HD23 ' A' ' 59' ' ' LEU . . . -63.07 -43.95 97.16 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.153 -0.476 . . . . 70.31 111.105 179.887 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 9.2 mtpt -66.03 -32.82 74.51 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.244 -0.435 . . . . 71.4 110.947 179.961 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 61.7 mt -52.17 -45.12 64.97 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.202 -0.454 . . . . 63.21 110.869 179.908 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 23.4 m-85 -72.93 -23.81 60.73 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.203 -0.453 . . . . 54.44 110.88 179.953 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -57.95 -33.97 69.41 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.151 -0.477 . . . . 52.43 110.889 -179.946 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 7.0 mt-10 -75.22 -35.14 61.49 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.187 -0.461 . . . . 64.14 110.873 -179.908 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 15' ' ' TRP . . . . . 0.511 ' HZ2' ' HB3' ' B' ' 22' ' ' ALA . 28.7 m0 -53.97 -52.73 59.75 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.188 -0.46 . . . . 71.35 110.896 -179.935 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 6.6 tttt -67.87 -24.7 65.27 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.259 -0.428 . . . . 74.44 110.95 179.872 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -72.77 -52.52 14.71 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.204 -0.453 . . . . 74.14 110.888 179.829 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 18' ' ' LEU . . . . . 1.029 HD13 HD13 ' B' ' 18' ' ' LEU . 2.0 mt -55.73 -25.01 38.32 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.275 -0.421 . . . . 73.14 111.004 179.87 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -73.15 -28.83 62.46 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.123 -0.49 . . . . 70.1 111.115 179.772 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 1.9 mm-40 -73.03 -49.47 28.57 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.209 -0.451 . . . . 75.15 110.878 -179.884 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 6.7 pt-20 -58.44 -36.51 73.76 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.103 -0.499 . . . . 71.53 110.874 -179.909 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 22' ' ' ALA . . . . . 0.451 ' HB3' ' HZ2' ' B' ' 15' ' ' TRP . . . -75.46 -33.1 60.82 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.111 -0.495 . . . . 62.52 111.07 179.949 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -70.73 -51.99 23.75 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.262 -0.426 . . . . 73.45 111.088 179.904 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -61.08 -37.44 82.7 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.241 -0.436 . . . . 74.24 110.904 -179.99 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 25' ' ' LEU . . . . . 0.406 HD23 ' HA ' ' A' ' 25' ' ' LEU . 14.5 mt -76.82 -38.5 53.73 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 116.252 -0.431 . . . . 74.3 110.886 179.885 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 5.2 mt -50.09 -43.4 51.5 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.183 -0.462 . . . . 75.31 110.924 179.896 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 2.2 mt-10 -93.19 -12.17 30.95 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.171 -0.468 . . . . 63.5 110.893 179.937 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . 60.92 17.51 51.29 Favored Glycine 0 N--CA 1.452 -0.296 0 C-N-CA 120.708 -0.758 . . . . 71.04 112.472 179.987 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . 87.93 20.6 49.59 Favored Glycine 0 N--CA 1.45 -0.379 0 C-N-CA 120.778 -0.725 . . . . 54.33 112.508 -179.938 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . 139.1 80.45 0.07 OUTLIER Glycine 0 N--CA 1.451 -0.331 0 C-N-CA 120.679 -0.772 . . . . 72.13 112.47 -179.894 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . -159.96 156.79 28.03 Favored Glycine 0 N--CA 1.452 -0.291 0 C-N-CA 120.74 -0.743 . . . . 74.12 112.408 -179.902 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . 57.34 -118.37 12.3 Favored Glycine 0 C--N 1.331 0.264 0 C-N-CA 120.72 -0.752 . . . . 74.51 112.494 -179.92 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -158.41 -81.55 0.04 OUTLIER Glycine 0 N--CA 1.451 -0.306 0 C-N-CA 120.678 -0.772 . . . . 41.52 112.431 -179.899 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 121.67 -93.21 0.51 Allowed Glycine 0 N--CA 1.451 -0.316 0 C-N-CA 120.761 -0.733 . . . . 52.44 112.463 -179.916 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 54.99 -104.71 0.29 Allowed Glycine 0 N--CA 1.452 -0.275 0 C-N-CA 120.729 -0.748 . . . . 43.2 112.504 -179.899 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 67.5 tt0 -76.38 -26.19 55.35 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.869 0.366 . . . . 72.25 110.88 -179.872 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 18.0 tp -57.59 -58.03 10.11 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.165 -0.47 . . . . 75.01 110.92 179.982 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 38' ' ' MET . . . . . . . . . . . . . 35.1 ttm -63.72 -33.55 75.91 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.163 -0.472 . . . . 73.31 110.902 179.841 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 2.1 tttp -53.85 -35.06 61.08 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.204 -0.453 . . . . 70.42 110.873 179.943 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 61.7 mt -74.09 -36.21 64.26 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.179 -0.464 . . . . 63.11 110.908 179.922 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 41' ' ' CYS . . . . . . . . . . . . . 22.2 m -75.18 -28.25 59.97 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.204 -0.453 . . . . 62.04 110.912 179.923 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 2.6 mt-10 -61.61 -26.88 68.26 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.222 -0.445 . . . . 62.41 110.883 -179.893 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 3.0 mm-40 -55.66 -36.86 67.54 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.16 -0.473 . . . . 71.51 110.923 -179.936 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -51.87 -41.84 62.2 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.117 -0.492 . . . . 71.24 111.047 179.896 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -75.18 -22.76 57.82 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.241 -0.436 . . . . 74.42 111.092 179.984 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -74.3 -48.84 25.82 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.26 -0.427 . . . . 62.02 110.851 -179.993 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 1.3 mptp? -61.61 -53.7 52.82 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.201 -0.454 . . . . 74.44 110.897 179.87 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 48' ' ' ALA . . . . . 0.61 ' HA ' HD12 ' A' ' 51' ' ' LEU . . . -57.89 -35.58 71.2 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.28 -0.418 . . . . 64.4 111.089 179.845 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 2.6 tm-20 -71.5 -41.63 69.03 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.191 -0.459 . . . . 72.14 110.852 -179.902 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 34.8 tt0 -71.34 -27.65 63.52 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.229 -0.441 . . . . 72.43 110.856 -179.927 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 51' ' ' LEU . . . . . 0.61 HD12 ' HA ' ' A' ' 48' ' ' ALA . 9.9 mt -72.95 -48.79 33.77 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.177 -0.465 . . . . 63.42 110.926 -179.982 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 52' ' ' PHE . . . . . 0.456 ' HE2' ' HB1' ' A' ' 9' ' ' ALA . 46.5 t80 -62.31 -23.89 67.0 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.265 -0.425 . . . . 64.44 110.878 179.974 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -72.83 -58.71 3.14 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.143 -0.48 . . . . 64.22 110.926 179.881 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 54' ' ' LEU . . . . . . . . . . . . . 19.3 tp -67.47 -38.15 83.98 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.212 -0.449 . . . . 75.11 110.947 179.936 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -67.32 -33.84 76.1 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.171 -0.468 . . . . 55.23 111.124 179.799 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 33.5 tt0 -52.75 -29.12 25.4 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.245 -0.434 . . . . 72.31 110.927 -179.953 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 10.9 tt0 -61.94 -52.93 62.07 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.116 -0.493 . . . . 65.22 110.924 -179.979 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 58' ' ' ARG . . . . . 0.515 HH21 HD22 ' B' ' 37' ' ' LEU . 0.0 OUTLIER -77.78 -28.89 50.63 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.146 -0.479 . . . . 74.45 110.81 -179.895 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 59' ' ' LEU . . . . . 0.883 HD23 ' HB2' ' A' ' 9' ' ' ALA . 1.9 mp -70.64 -62.1 1.52 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.246 -0.434 . . . . 74.55 110.91 -179.901 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -122.77 -74.92 0.6 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.15 -0.477 . . . . 62.14 110.896 179.82 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -179.28 122.89 0.08 Allowed 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.194 -0.457 . . . . 75.52 110.964 179.878 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER . . . . . 0 C--N 1.328 -0.347 0 CA-C-N 116.264 -0.426 . . . . 71.31 110.934 179.941 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 1' ' ' MET . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 C--O 1.231 0.114 0 CA-C-O 120.815 0.34 . . . . 61.25 110.862 . . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 2' ' ' LYS . . . . . 0.532 ' HB2' HD11 ' B' ' 59' ' ' LEU . 0.3 OUTLIER -96.86 -169.97 1.97 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.169 -0.469 . . . . 71.15 110.934 179.898 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' B' B ' 3' ' ' LYS . . . . . 0.604 ' O ' HD22 ' B' ' 4' ' ' LEU . 12.2 mttt -150.92 24.66 0.75 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.262 -0.426 . . . . 75.14 110.853 179.893 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 4' ' ' LEU . . . . . 0.604 HD22 ' O ' ' B' ' 3' ' ' LYS . 0.3 OUTLIER -146.2 -66.34 0.29 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.245 -0.434 . . . . 63.14 110.927 179.858 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' B' B ' 5' ' ' ARG . . . . . . . . . . . . . 16.4 mtt180 -72.01 -40.68 68.33 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.185 -0.461 . . . . 74.45 110.895 179.908 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 6' ' ' GLU . . . . . 0.546 ' CA ' HD13 ' B' ' 59' ' ' LEU . 0.1 OUTLIER -54.48 -26.79 33.42 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.193 -0.458 . . . . 72.34 110.911 -179.969 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' B' B ' 7' ' ' GLU . . . . . . . . . . . . . 1.4 mm-40 -53.27 -39.62 64.04 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.083 -0.508 . . . . 72.13 110.902 -179.906 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 8' ' ' ALA . . . . . . . . . . . . . . . -63.68 -26.68 68.77 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.177 -0.465 . . . . 51.33 111.106 179.92 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 9' ' ' ALA . . . . . 0.507 ' HB2' ' HB1' ' B' ' 55' ' ' ALA . . . -69.26 -42.02 76.15 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.274 -0.421 . . . . 34.23 111.157 179.91 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 10' ' ' LYS . . . . . . . . . . . . . 9.8 mtpt -66.74 -28.01 68.07 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.166 -0.47 . . . . 71.45 110.889 179.937 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 11' ' ' LEU . . . . . . . . . . . . . 62.1 mt -51.81 -46.24 64.21 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.21 -0.45 . . . . 71.14 110.963 179.899 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 12' ' ' PHE . . . . . . . . . . . . . 24.0 m-85 -74.1 -26.51 60.4 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.119 -0.491 . . . . 65.52 110.884 179.963 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 13' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -59.08 -34.76 72.35 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.107 -0.497 . . . . 64.42 110.87 -179.943 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 14' ' ' GLU . . . . . . . . . . . . . 7.1 mt-10 -74.98 -34.38 61.98 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.177 -0.465 . . . . 71.02 110.914 -179.905 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 15' ' ' TRP . . . . . 0.451 ' HZ2' ' HB3' ' A' ' 22' ' ' ALA . 20.4 m0 -57.05 -52.22 66.16 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.089 -0.505 . . . . 73.32 110.935 -179.971 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 16' ' ' LYS . . . . . 0.613 ' HE2' ' HB1' ' B' ' 45' ' ' ALA . 6.7 tttt -68.26 -25.05 64.98 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.271 -0.422 . . . . 71.21 110.856 179.931 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 17' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -73.06 -55.62 6.25 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.244 -0.434 . . . . 64.2 110.917 179.791 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 18' ' ' LEU . . . . . 1.029 HD13 HD13 ' A' ' 18' ' ' LEU . 2.0 mt -55.99 -25.59 44.75 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.236 -0.438 . . . . 65.22 110.942 179.968 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 19' ' ' ALA . . . . . . . . . . . . . . . -73.19 -29.14 62.61 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.127 -0.488 . . . . 70.03 111.119 179.737 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 20' ' ' GLU . . . . . . . . . . . . . 1.9 mm-40 -72.99 -49.37 29.41 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.221 -0.445 . . . . 65.22 110.952 -179.958 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 21' ' ' GLU . . . . . . . . . . . . . 6.7 pt-20 -58.43 -36.6 73.86 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.2 -0.455 . . . . 74.4 110.88 -179.981 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 22' ' ' ALA . . . . . 0.511 ' HB3' ' HZ2' ' A' ' 15' ' ' TRP . . . -75.5 -33.28 60.75 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.124 -0.489 . . . . 62.54 111.09 179.937 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 23' ' ' ALA . . . . . . . . . . . . . . . -70.8 -51.95 23.63 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.213 -0.448 . . . . 65.14 111.057 179.982 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 24' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -60.89 -37.69 83.05 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.274 -0.421 . . . . 74.45 110.894 179.994 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 25' ' ' LEU . . . . . 0.421 HD23 ' HA ' ' B' ' 25' ' ' LEU . 14.7 mt -76.78 -38.55 53.84 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.223 -0.444 . . . . 61.03 110.938 179.92 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 26' ' ' LEU . . . . . . . . . . . . . 5.3 mt -50.14 -43.47 52.0 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.202 -0.454 . . . . 63.24 110.88 179.899 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 27' ' ' GLU . . . . . . . . . . . . . 2.1 mt-10 -95.23 -10.74 29.49 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.212 -0.449 . . . . 71.44 110.846 179.926 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 28' ' ' GLY . . . . . . . . . . . . . . . 62.15 18.21 57.26 Favored Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.786 -0.721 . . . . 71.44 112.494 -179.931 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 29' ' ' GLY . . . . . . . . . . . . . . . 89.02 18.59 53.7 Favored Glycine 0 N--CA 1.452 -0.274 0 C-N-CA 120.748 -0.739 . . . . 32.54 112.475 -179.907 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 30' ' ' GLY . . . . . . . . . . . . . . . 135.39 85.24 0.2 Allowed Glycine 0 N--CA 1.451 -0.338 0 C-N-CA 120.755 -0.736 . . . . 43.03 112.502 -179.914 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 31' ' ' GLY . . . . . . . . . . . . . . . -155.15 152.41 23.93 Favored Glycine 0 N--CA 1.451 -0.328 0 C-N-CA 120.765 -0.731 . . . . 74.04 112.477 -179.896 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 32' ' ' GLY . . . . . . . . . . . . . . . 52.41 -136.5 35.63 Favored Glycine 0 N--CA 1.452 -0.239 0 C-N-CA 120.714 -0.755 . . . . 62.13 112.411 -179.979 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 33' ' ' GLY . . . . . . . . . . . . . . . 179.64 -105.35 0.19 Allowed Glycine 0 N--CA 1.451 -0.349 0 C-N-CA 120.751 -0.738 . . . . 50.22 112.513 -179.888 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 34' ' ' GLY . . . . . . . . . . . . . . . 93.82 -46.84 2.28 Favored Glycine 0 N--CA 1.451 -0.344 0 C-N-CA 120.698 -0.763 . . . . 45.42 112.562 -179.904 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 35' ' ' GLY . . . . . . . . . . . . . . . 85.04 -85.34 1.57 Allowed Glycine 0 N--CA 1.451 -0.336 0 C-N-CA 120.712 -0.756 . . . . 44.41 112.5 -179.953 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 36' ' ' GLU . . . . . . . . . . . . . 62.3 tt0 -68.61 -23.32 64.44 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.852 0.358 . . . . 71.33 110.848 -179.877 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 37' ' ' LEU . . . . . 0.515 HD22 HH21 ' A' ' 58' ' ' ARG . 18.2 tp -51.47 -54.62 25.1 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.201 -0.454 . . . . 63.14 110.908 -179.984 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 38' ' ' MET . . . . . . . . . . . . . 35.0 ttm -62.01 -38.98 90.71 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.19 -0.459 . . . . 73.34 110.87 179.863 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 39' ' ' LYS . . . . . . . . . . . . . 2.2 tttp -54.12 -34.57 60.62 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.199 -0.455 . . . . 73.02 110.889 179.937 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 40' ' ' LEU . . . . . . . . . . . . . 69.4 mt -73.82 -34.98 64.8 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.211 -0.45 . . . . 74.31 110.959 179.862 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 41' ' ' CYS . . . . . 0.41 ' SG ' HD22 ' A' ' 51' ' ' LEU . 21.0 m -74.9 -29.68 61.07 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 116.253 -0.431 . . . . 61.22 110.901 179.921 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 42' ' ' GLU . . . . . . . . . . . . . 2.7 mt-10 -62.18 -26.04 68.12 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.161 -0.472 . . . . 74.01 110.9 -179.899 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 43' ' ' GLU . . . . . . . . . . . . . 3.1 mm-40 -54.89 -34.99 63.62 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.157 -0.474 . . . . 64.11 110.875 -179.939 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 44' ' ' ALA . . . . . 0.404 ' HB2' ' CZ3' ' A' ' 15' ' ' TRP . . . -52.0 -41.49 62.24 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.17 -0.468 . . . . 73.23 111.089 -179.978 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 45' ' ' ALA . . . . . 0.613 ' HB1' ' HE2' ' B' ' 16' ' ' LYS . . . -75.19 -22.93 57.68 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.258 -0.428 . . . . 73.45 111.109 179.909 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 46' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -73.85 -48.96 27.38 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.21 -0.45 . . . . 74.32 110.943 179.982 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 47' ' ' LYS . . . . . . . . . . . . . 1.4 mptp? -63.79 -52.66 59.26 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.235 -0.439 . . . . 74.23 110.922 179.77 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 48' ' ' ALA . . . . . 0.727 ' HA ' HD12 ' B' ' 51' ' ' LEU . . . -56.04 -34.13 65.6 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.201 -0.454 . . . . 63.45 111.112 179.835 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 49' ' ' GLU . . . . . . . . . . . . . 2.6 tm-20 -70.58 -42.26 71.3 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.172 -0.467 . . . . 72.22 110.851 -179.867 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 50' ' ' GLU . . . . . . . . . . . . . 35.1 tt0 -72.65 -26.74 61.76 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.117 -0.492 . . . . 72.43 110.918 -179.942 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 51' ' ' LEU . . . . . 0.727 HD12 ' HA ' ' B' ' 48' ' ' ALA . 9.8 mt -72.12 -43.86 64.08 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.149 -0.478 . . . . 73.14 110.922 179.984 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 52' ' ' PHE . . . . . . . . . . . . . 44.8 t80 -57.06 -24.02 50.9 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.254 -0.43 . . . . 71.34 110.866 179.942 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 53' ' ' LYS . . . . . 0.659 ' HD3' HD21 ' B' ' 62' ' ' LEU . 0.1 OUTLIER -72.12 -46.63 55.87 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.236 -0.438 . . . . 75.32 110.902 179.956 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' B' B ' 54' ' ' LEU . . . . . 0.483 HD12 ' CD1' ' B' ' 62' ' ' LEU . 18.7 tp -55.23 -25.35 32.76 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.242 -0.436 . . . . 73.25 110.898 179.88 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 55' ' ' ALA . . . . . 0.507 ' HB1' ' HB2' ' B' ' 9' ' ' ALA . . . -54.18 -34.49 60.64 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.268 -0.424 . . . . 71.21 111.115 179.767 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 56' ' ' GLU . . . . . . . . . . . . . 34.0 tt0 -55.27 -28.18 51.6 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.166 -0.47 . . . . 70.32 110.844 -179.861 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 57' ' ' GLU . . . . . . . . . . . . . 11.1 tt0 -64.77 -47.05 79.57 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.173 -0.467 . . . . 61.43 110.876 -179.928 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 58' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -77.54 -31.47 53.32 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.092 -0.503 . . . . 72.44 110.846 -179.86 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 59' ' ' LEU . . . . . 0.546 HD13 ' CA ' ' B' ' 6' ' ' GLU . 19.8 tp -73.26 -62.53 1.44 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.179 -0.464 . . . . 72.41 110.874 -179.934 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 60' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -120.95 -77.29 0.58 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.172 -0.467 . . . . 63.25 110.905 179.847 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 61' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -179.51 123.26 0.08 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.231 -0.441 . . . . 73.21 110.919 179.872 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 62' ' ' LEU . . . . . 0.659 HD21 ' HD3' ' B' ' 53' ' ' LYS . 0.9 OUTLIER . . . . . 0 C--N 1.329 -0.293 0 CA-C-N 116.222 -0.444 . . . . 72.33 110.902 179.896 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.232 0.165 0 CA-C-O 120.881 0.372 . . . . 74.4 110.886 . . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 3' ' ' LYS . . . . . 0.681 ' C ' HD22 ' A' ' 4' ' ' LEU . 4.3 mtmp? -153.46 -55.58 0.11 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.215 -0.448 . . . . 64.14 110.93 179.879 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 4' ' ' LEU . . . . . 0.681 HD22 ' C ' ' A' ' 3' ' ' LYS . 3.1 mm? -133.71 12.87 4.06 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.266 -0.424 . . . . 70.44 110.957 179.845 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 2.6 mtp180 -72.34 -47.8 46.82 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.218 -0.447 . . . . 74.41 110.829 -179.958 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 12.5 pt-20 -53.84 -31.17 48.41 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.185 -0.461 . . . . 65.03 110.861 -179.927 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 12.1 mm-40 -53.76 -36.94 62.9 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.146 -0.479 . . . . 75.34 110.945 -179.946 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -65.97 -26.77 67.71 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.069 -0.514 . . . . 73.13 111.086 179.959 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 9' ' ' ALA . . . . . 0.696 ' HB1' ' CE2' ' A' ' 52' ' ' PHE . . . -74.15 -28.98 61.57 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.195 -0.457 . . . . 63.42 111.077 179.902 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -75.95 -32.78 59.68 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.284 -0.416 . . . . 74.02 110.885 179.998 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 11' ' ' LEU . . . . . 0.463 HD12 HD21 ' B' ' 26' ' ' LEU . 47.6 mt -51.64 -49.15 62.84 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.23 -0.441 . . . . 63.45 110.97 179.883 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 21.6 m-85 -74.27 -22.02 59.49 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.14 -0.482 . . . . 73.24 110.879 179.936 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 19.5 tt0 -59.5 -37.34 78.03 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.181 -0.463 . . . . 74.41 110.884 -179.969 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 9.4 mt-10 -75.0 -34.1 61.9 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.16 -0.473 . . . . 64.42 110.921 -179.921 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 15' ' ' TRP . . . . . . . . . . . . . 19.8 m0 -53.82 -51.77 62.48 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.139 -0.482 . . . . 61.21 110.926 179.975 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -71.84 -30.57 65.61 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.223 -0.444 . . . . 72.54 110.891 179.971 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 1.8 tttm -64.72 -51.21 63.59 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.219 -0.446 . . . . 72.52 110.961 179.852 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 18' ' ' LEU . . . . . 1.104 HD13 HD13 ' B' ' 18' ' ' LEU . 3.2 mt -56.16 -24.98 44.73 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.187 -0.46 . . . . 72.22 110.951 179.828 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -73.35 -29.42 62.65 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.182 -0.463 . . . . 53.42 111.112 179.802 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 32.7 mt-10 -73.2 -50.02 24.76 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.176 -0.465 . . . . 72.05 110.881 -179.92 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 11.2 pt-20 -56.56 -46.51 80.68 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.163 -0.472 . . . . 74.14 110.847 -179.938 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -64.19 -33.0 74.8 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.158 -0.474 . . . . 62.12 111.136 179.956 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -70.85 -49.75 42.8 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.207 -0.452 . . . . 71.12 111.067 179.946 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 9.4 ptpt -64.51 -36.66 84.91 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.225 -0.443 . . . . 75.23 110.868 179.973 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 11.3 mt -76.76 -38.62 53.81 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.221 -0.445 . . . . 72.54 110.903 179.991 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 26' ' ' LEU . . . . . 0.456 HD21 HD12 ' B' ' 11' ' ' LEU . 2.8 mt -50.23 -46.24 54.6 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.252 -0.431 . . . . 54.2 110.961 179.786 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 24.0 tp10 -88.93 -12.0 42.88 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.19 -0.459 . . . . 73.34 110.835 179.946 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . 66.12 20.9 69.48 Favored Glycine 0 N--CA 1.453 -0.197 0 C-N-CA 120.669 -0.777 . . . . 70.01 112.477 -179.961 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . -136.14 -54.66 0.06 OUTLIER Glycine 0 N--CA 1.45 -0.37 0 C-N-CA 120.795 -0.717 . . . . 75.52 112.509 -179.909 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . 134.42 98.33 0.6 Allowed Glycine 0 N--CA 1.45 -0.382 0 C-N-CA 120.828 -0.701 . . . . 35.04 112.512 -179.93 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . 128.85 -24.63 4.81 Favored Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 120.718 -0.753 . . . . 63.22 112.536 -179.807 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . 98.94 -179.0 31.14 Favored Glycine 0 N--CA 1.451 -0.31 0 C-N-CA 120.734 -0.746 . . . . 73.51 112.481 -179.856 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -69.58 -23.63 76.56 Favored Glycine 0 N--CA 1.451 -0.355 0 C-N-CA 120.804 -0.712 . . . . 51.01 112.428 -179.891 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 72.95 77.97 0.56 Allowed Glycine 0 N--CA 1.45 -0.385 0 C-N-CA 120.73 -0.748 . . . . 50.34 112.508 -179.865 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . -179.99 -155.87 16.51 Favored Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.75 -0.738 . . . . 64.41 112.516 -179.87 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 7.8 mt-10 -66.87 -53.11 35.58 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.905 0.384 . . . . 72.23 110.929 -179.897 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -52.48 -54.62 30.04 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.144 -0.48 . . . . 75.3 110.906 -179.995 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 38' ' ' MET . . . . . . . . . . . . . 0.8 OUTLIER -59.19 -31.58 69.15 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.186 -0.461 . . . . 62.33 110.878 179.846 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -54.04 -29.66 44.72 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.192 -0.458 . . . . 75.12 110.908 -179.981 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 40' ' ' LEU . . . . . 0.799 ' HB3' HD22 ' B' ' 51' ' ' LEU . 43.8 mt -71.44 -33.76 69.66 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.149 -0.478 . . . . 74.05 110.95 179.927 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 41' ' ' CYS . . . . . . . . . . . . . 25.9 m -74.82 -31.52 61.71 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.13 -0.486 . . . . 53.31 110.879 179.91 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 37.2 tt0 -71.28 -26.13 62.75 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.22 -0.445 . . . . 62.52 110.881 -179.87 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 3.3 mm-40 -55.08 -31.23 61.01 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.142 -0.481 . . . . 70.42 110.933 -179.946 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 44' ' ' ALA . . . . . 0.515 ' HB2' ' CZ3' ' B' ' 15' ' ' TRP . . . -51.81 -42.52 62.55 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.125 -0.489 . . . . 74.45 111.107 179.912 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -75.19 -23.02 57.61 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.214 -0.448 . . . . 54.14 111.095 179.931 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -72.82 -47.9 42.43 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.234 -0.439 . . . . 75.43 110.874 179.962 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -74.13 -48.37 29.86 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.247 -0.433 . . . . 45.04 110.855 179.955 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -52.23 -49.33 64.21 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.251 -0.431 . . . . 53.53 111.037 179.847 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 53.1 tp10 -54.68 -32.93 60.1 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.208 -0.451 . . . . 53.31 110.866 -179.929 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -70.31 -26.5 63.81 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.13 -0.486 . . . . 71.34 110.879 -179.909 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 12.2 mt -71.58 -46.89 58.05 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.187 -0.46 . . . . 74.12 110.922 179.972 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 52' ' ' PHE . . . . . 0.696 ' CE2' ' HB1' ' A' ' 9' ' ' ALA . 52.0 t80 -57.0 -23.97 50.16 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.17 -0.468 . . . . 72.42 110.84 179.964 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -51.92 -52.26 51.28 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.254 -0.43 . . . . 64.23 110.907 -179.99 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 54' ' ' LEU . . . . . 0.609 HD12 HH22 ' A' ' 58' ' ' ARG . 4.3 mm? -60.52 -36.73 79.08 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.187 -0.461 . . . . 73.12 110.892 179.926 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 55' ' ' ALA . . . . . 0.614 ' HB1' ' HB2' ' A' ' 9' ' ' ALA . . . -56.07 -27.73 54.72 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.222 -0.445 . . . . 60.12 111.086 179.811 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 51.7 tt0 -77.25 -24.46 51.13 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.232 -0.44 . . . . 54.42 110.83 -179.895 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 11.7 tp10 -68.87 -48.78 62.55 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.191 -0.459 . . . . 74.54 110.913 -179.966 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 58' ' ' ARG . . . . . 0.609 HH22 HD12 ' A' ' 54' ' ' LEU . 0.0 OUTLIER -78.0 -30.39 50.05 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.166 -0.47 . . . . 72.2 110.938 -179.971 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 59' ' ' LEU . . . . . . . . . . . . . 15.9 tp -73.65 -62.39 1.5 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.109 -0.496 . . . . 74.0 110.945 -179.976 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -123.13 -175.55 3.21 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.133 -0.485 . . . . 72.33 110.876 179.822 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 5.3 tttt -83.49 78.55 9.64 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.187 -0.461 . . . . 73.43 110.953 179.835 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 5.1 tt . . . . . 0 C--N 1.329 -0.319 0 CA-C-N 116.199 -0.455 . . . . 70.2 110.899 179.938 . . . . . . . . 0 0 . 1 . 006 nuclear build core ' B' B ' 1' ' ' MET . . . . . . . . . . . . . 2.7 mmt . . . . . 0 C--O 1.232 0.176 0 CA-C-O 120.815 0.34 . . . . 70.43 110.847 . . . . . . . . . 0 0 . 1 . 006 nuclear build core ' B' B ' 2' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -100.53 143.24 30.94 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.251 -0.431 . . . . 75.33 110.904 179.946 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 3' ' ' LYS . . . . . 0.697 ' C ' HD22 ' B' ' 4' ' ' LEU . 4.3 mtmp? -152.46 -56.41 0.13 Allowed 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.253 -0.431 . . . . 61.34 110.871 179.907 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 4' ' ' LEU . . . . . 0.697 HD22 ' C ' ' B' ' 3' ' ' LYS . 3.1 mm? -133.85 12.3 4.0 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.249 -0.432 . . . . 74.34 110.898 179.972 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 5' ' ' ARG . . . . . . . . . . . . . 2.3 mtp180 -72.32 -48.04 45.19 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.202 -0.454 . . . . 62.25 110.868 179.975 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 6' ' ' GLU . . . . . . . . . . . . . 14.4 pt-20 -52.88 -28.95 25.46 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.235 -0.439 . . . . 75.14 110.943 -179.964 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 7' ' ' GLU . . . . . . . . . . . . . 12.1 mm-40 -54.24 -32.83 56.98 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.113 -0.494 . . . . 73.44 110.914 -179.957 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 8' ' ' ALA . . . . . . . . . . . . . . . -70.35 -26.72 63.87 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.139 -0.482 . . . . 73.24 111.14 179.881 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 9' ' ' ALA . . . . . 0.796 ' HB2' HD23 ' B' ' 59' ' ' LEU . . . -69.2 -31.02 69.33 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.198 -0.455 . . . . 72.3 111.121 179.916 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 10' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -75.48 -33.9 60.85 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.204 -0.453 . . . . 73.23 110.843 -179.974 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 11' ' ' LEU . . . . . 0.456 HD12 HD21 ' A' ' 26' ' ' LEU . 45.4 mt -52.05 -46.78 65.21 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.27 -0.423 . . . . 72.01 110.863 179.92 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 12' ' ' PHE . . . . . . . . . . . . . 20.6 m-85 -72.9 -21.95 60.82 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.213 -0.449 . . . . 64.3 110.896 179.95 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 13' ' ' GLU . . . . . . . . . . . . . 19.4 tt0 -58.97 -36.75 75.38 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.111 -0.495 . . . . 62.33 110.877 -179.906 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 14' ' ' GLU . . . . . . . . . . . . . 9.1 mt-10 -75.1 -34.24 61.7 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.169 -0.469 . . . . 75.31 110.914 -179.956 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 15' ' ' TRP . . . . . 0.515 ' CZ3' ' HB2' ' A' ' 44' ' ' ALA . 22.6 m0 -54.01 -50.44 66.62 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.115 -0.493 . . . . 73.35 110.928 -179.942 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 16' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -71.43 -30.9 66.6 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.216 -0.447 . . . . 72.05 110.887 179.946 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 17' ' ' LYS . . . . . . . . . . . . . 1.8 tttm -65.5 -50.92 63.51 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.218 -0.446 . . . . 73.11 110.886 179.883 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 18' ' ' LEU . . . . . 1.104 HD13 HD13 ' A' ' 18' ' ' LEU . 3.1 mt -56.07 -24.99 43.34 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.244 -0.435 . . . . 73.43 110.919 179.884 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 19' ' ' ALA . . . . . . . . . . . . . . . -73.46 -29.42 62.53 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.174 -0.467 . . . . 74.31 111.146 179.763 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 20' ' ' GLU . . . . . . . . . . . . . 32.5 mt-10 -73.2 -49.93 25.28 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.184 -0.462 . . . . 72.21 110.871 -179.907 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 21' ' ' GLU . . . . . . . . . . . . . 11.2 pt-20 -56.67 -46.3 81.2 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.18 -0.464 . . . . 71.15 110.889 -179.903 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 22' ' ' ALA . . . . . . . . . . . . . . . -64.35 -33.02 74.89 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.223 -0.444 . . . . 54.14 111.077 179.923 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 23' ' ' ALA . . . . . . . . . . . . . . . -70.91 -49.55 44.55 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.18 -0.464 . . . . 61.13 111.082 179.964 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 24' ' ' LYS . . . . . . . . . . . . . 9.3 ptpt -64.61 -36.7 85.09 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.236 -0.438 . . . . 64.35 110.911 179.97 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 25' ' ' LEU . . . . . . . . . . . . . 11.4 mt -76.66 -38.67 54.17 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.193 -0.458 . . . . 73.21 110.894 179.91 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 26' ' ' LEU . . . . . 0.463 HD21 HD12 ' A' ' 11' ' ' LEU . 2.8 mt -50.35 -46.02 55.52 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.25 -0.432 . . . . 72.04 110.93 179.928 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 27' ' ' GLU . . . . . . . . . . . . . 24.1 tp10 -89.18 -12.11 41.86 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.189 -0.46 . . . . 73.24 110.866 179.926 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 28' ' ' GLY . . . . . . . . . . . . . . . 66.15 21.92 70.37 Favored Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.784 -0.722 . . . . 62.34 112.408 179.973 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 29' ' ' GLY . . . . . . . . . . . . . . . -135.76 -54.14 0.06 OUTLIER Glycine 0 N--CA 1.451 -0.33 0 C-N-CA 120.722 -0.752 . . . . 33.34 112.542 -179.963 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 30' ' ' GLY . . . . . . . . . . . . . . . 134.99 98.21 0.57 Allowed Glycine 0 N--CA 1.451 -0.309 0 C-N-CA 120.706 -0.759 . . . . 61.21 112.488 -179.948 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 31' ' ' GLY . . . . . . . . . . . . . . . 128.54 -24.01 5.0 Favored Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.758 -0.734 . . . . 42.13 112.472 -179.915 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 32' ' ' GLY . . . . . . . . . . . . . . . 99.42 -179.57 30.74 Favored Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.766 -0.731 . . . . 73.41 112.422 -179.964 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 33' ' ' GLY . . . . . . . . . . . . . . . -69.67 -23.17 76.85 Favored Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 120.661 -0.78 . . . . 53.11 112.49 -179.921 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 34' ' ' GLY . . . . . . . . . . . . . . . 72.63 77.46 0.57 Allowed Glycine 0 N--CA 1.451 -0.35 0 C-N-CA 120.787 -0.721 . . . . 70.13 112.466 -179.92 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 35' ' ' GLY . . . . . . . . . . . . . . . 179.6 -154.51 13.85 Favored Glycine 0 N--CA 1.452 -0.299 0 C-N-CA 120.668 -0.777 . . . . 53.51 112.471 -179.908 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 36' ' ' GLU . . . . . . . . . . . . . 7.5 mt-10 -66.14 -51.66 55.77 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.875 0.369 . . . . 74.33 110.849 -179.824 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 37' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -51.82 -55.2 21.33 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.113 -0.494 . . . . 54.15 110.906 -179.931 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 38' ' ' MET . . . . . . . . . . . . . 0.8 OUTLIER -59.75 -32.1 70.26 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.147 -0.479 . . . . 72.1 110.867 179.818 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 39' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -54.61 -29.44 51.78 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.194 -0.457 . . . . 72.43 110.895 -179.988 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 40' ' ' LEU . . . . . . . . . . . . . 45.8 mt -70.66 -34.17 71.74 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.234 -0.439 . . . . 73.35 110.904 179.865 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 41' ' ' CYS . . . . . . . . . . . . . 26.1 m -75.07 -33.54 61.69 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.205 -0.452 . . . . 51.15 110.909 179.965 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 42' ' ' GLU . . . . . . . . . . . . . 37.5 tt0 -73.05 -25.92 61.1 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 116.113 -0.494 . . . . 72.53 110.858 -179.878 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 43' ' ' GLU . . . . . . . . . . . . . 3.3 mm-40 -55.04 -31.65 61.27 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.219 -0.446 . . . . 75.51 110.91 -179.908 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 44' ' ' ALA . . . . . . . . . . . . . . . -51.89 -42.72 62.93 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.148 -0.478 . . . . 52.31 111.124 179.895 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 45' ' ' ALA . . . . . . . . . . . . . . . -75.1 -22.9 57.94 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.247 -0.433 . . . . 41.01 111.128 179.911 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 46' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -71.55 -47.49 54.71 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.212 -0.449 . . . . 64.51 110.858 -179.995 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 47' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -73.49 -50.55 20.94 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.268 -0.424 . . . . 72.22 110.95 179.851 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 48' ' ' ALA . . . . . . . . . . . . . . . -53.09 -48.93 67.38 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.223 -0.444 . . . . 71.53 111.052 179.822 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 49' ' ' GLU . . . . . . . . . . . . . 53.2 tp10 -54.41 -32.37 57.12 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.241 -0.436 . . . . 73.35 110.893 -179.89 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 50' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -69.88 -28.96 66.07 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.112 -0.494 . . . . 72.3 110.855 -179.93 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 51' ' ' LEU . . . . . 0.799 HD22 ' HB3' ' A' ' 40' ' ' LEU . 11.8 mt -73.08 -50.95 19.99 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.131 -0.486 . . . . 71.01 110.916 -179.931 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 52' ' ' PHE . . . . . 0.585 ' HE2' ' HB1' ' B' ' 9' ' ' ALA . 53.7 t80 -60.36 -23.91 64.66 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.192 -0.458 . . . . 63.11 110.877 179.92 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 53' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -54.28 -59.22 4.96 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.155 -0.475 . . . . 63.24 110.854 -179.971 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 54' ' ' LEU . . . . . 0.563 HD12 HH22 ' B' ' 58' ' ' ARG . 4.5 mm? -75.05 -42.51 56.9 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.219 -0.446 . . . . 60.14 110.887 179.999 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 55' ' ' ALA . . . . . 0.408 ' HA ' ' HD2' ' B' ' 58' ' ' ARG . . . -55.69 -29.28 59.12 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.292 -0.413 . . . . 74.05 111.076 179.771 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 56' ' ' GLU . . . . . . . . . . . . . 52.4 tt0 -77.24 -24.45 51.18 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.229 -0.441 . . . . 70.02 110.874 -179.931 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 57' ' ' GLU . . . . . . . . . . . . . 11.4 tp10 -64.63 -48.45 74.8 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.164 -0.471 . . . . 52.23 110.893 -179.96 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 58' ' ' ARG . . . . . 0.563 HH22 HD12 ' B' ' 54' ' ' LEU . 0.0 OUTLIER -77.79 -31.11 51.67 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.195 -0.457 . . . . 73.13 110.891 -179.929 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' B' B ' 59' ' ' LEU . . . . . 0.796 HD23 ' HB2' ' B' ' 9' ' ' ALA . 3.8 mp -71.77 -59.05 2.95 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.14 -0.482 . . . . 74.44 110.873 -179.993 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 60' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -127.73 -178.98 4.7 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.267 -0.424 . . . . 73.35 110.934 179.833 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 61' ' ' LYS . . . . . . . . . . . . . 5.4 tttt -85.85 79.28 9.31 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.26 -0.427 . . . . 70.04 110.941 179.865 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 62' ' ' LEU . . . . . . . . . . . . . 4.8 tt . . . . . 0 C--N 1.328 -0.331 0 CA-C-N 116.185 -0.461 . . . . 75.23 110.877 179.981 . . . . . . . . 0 0 . 1 . 007 nuclear build core ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.231 0.101 0 CA-C-O 120.853 0.359 . . . . 61.3 110.898 . . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 15.0 ttpt -141.51 -42.54 0.36 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.268 -0.424 . . . . 73.35 110.945 179.844 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 3.8 mm? -70.99 -33.83 70.79 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.222 -0.444 . . . . 74.14 110.966 179.883 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 5.4 mtt-85 -72.02 -40.54 68.39 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 116.18 -0.464 . . . . 65.54 110.903 179.94 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 6' ' ' GLU . . . . . 0.816 ' HA ' HD22 ' A' ' 59' ' ' LEU . 4.9 tt0 -52.99 -27.59 19.9 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.164 -0.471 . . . . 72.13 110.861 -179.969 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 67.0 mt-10 -55.19 -28.39 52.63 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.184 -0.462 . . . . 71.0 110.878 -179.909 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 8' ' ' ALA . . . . . 0.518 ' HA ' HD21 ' A' ' 11' ' ' LEU . . . -76.12 -26.53 56.46 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.199 -0.455 . . . . 74.24 111.085 179.918 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 9' ' ' ALA . . . . . 0.834 ' HB2' HD13 ' A' ' 59' ' ' LEU . . . -75.97 -26.95 57.28 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.265 -0.425 . . . . 55.05 111.106 179.888 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 19.3 mtpt -68.73 -54.57 15.29 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.217 -0.447 . . . . 54.21 110.871 -179.987 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 11' ' ' LEU . . . . . 0.562 HD12 ' N ' ' A' ' 12' ' ' PHE . 1.6 pp -57.31 -44.75 84.41 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.235 -0.438 . . . . 74.25 110.899 179.94 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 12' ' ' PHE . . . . . 0.562 ' N ' HD12 ' A' ' 11' ' ' LEU . 9.1 m-85 -65.57 -20.19 66.23 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.251 -0.432 . . . . 73.12 110.915 179.922 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -65.16 -38.99 92.31 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.141 -0.481 . . . . 74.1 110.909 -179.93 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 4.3 mt-10 -75.47 -28.83 59.41 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.178 -0.465 . . . . 72.23 110.823 -179.885 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 15' ' ' TRP . . . . . . . . . . . . . 1.0 OUTLIER -63.0 -47.3 83.7 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.136 -0.484 . . . . 71.11 110.93 -179.975 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 16' ' ' LYS . . . . . 0.416 ' HB2' ' HB1' ' A' ' 48' ' ' ALA . 2.8 ttpt -77.24 -25.13 51.24 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.246 -0.434 . . . . 54.12 110.931 179.888 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 1.7 mmmt -73.13 -53.93 9.78 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.189 -0.46 . . . . 75.11 110.892 179.852 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 77.2 mt -54.77 -32.75 60.42 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.154 -0.475 . . . . 61.13 110.932 179.926 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 19' ' ' ALA . . . . . 0.431 ' O ' ' HB2' ' A' ' 23' ' ' ALA . . . -68.56 -26.34 65.36 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.192 -0.458 . . . . 54.02 111.072 179.804 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 1.7 mt-10 -73.3 -49.28 28.4 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.255 -0.429 . . . . 63.43 110.871 -179.889 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 3.3 mm-40 -73.2 -50.14 24.14 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.215 -0.448 . . . . 74.22 110.889 -179.973 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -56.64 -22.6 35.4 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.146 -0.479 . . . . 73.4 111.136 179.936 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 23' ' ' ALA . . . . . 0.431 ' HB2' ' O ' ' A' ' 19' ' ' ALA . . . -76.06 -54.75 6.37 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.175 -0.466 . . . . 54.35 111.083 179.949 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -66.27 -30.14 70.51 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.269 -0.423 . . . . 64.33 110.912 179.933 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 25' ' ' LEU . . . . . 0.42 HD23 ' HA ' ' A' ' 25' ' ' LEU . 5.4 mt -77.64 -42.21 35.63 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.245 -0.434 . . . . 74.32 110.907 179.894 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 26' ' ' LEU . . . . . 0.446 HD11 ' CZ ' ' B' ' 12' ' ' PHE . 4.8 mt -50.5 -49.76 54.67 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.153 -0.476 . . . . 74.15 110.88 179.949 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 18.4 mt-10 -90.69 12.15 19.99 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.188 -0.46 . . . . 62.53 110.913 179.934 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . -59.58 -14.32 27.9 Favored Glycine 0 N--CA 1.45 -0.375 0 C-N-CA 120.686 -0.769 . . . . 55.12 112.545 -179.992 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . 136.1 47.35 0.08 OUTLIER Glycine 0 N--CA 1.451 -0.357 0 C-N-CA 120.697 -0.763 . . . . 54.24 112.471 -179.909 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . 152.13 86.25 0.05 OUTLIER Glycine 0 N--CA 1.451 -0.337 0 C-N-CA 120.708 -0.758 . . . . 53.15 112.441 -179.936 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . 145.13 40.55 0.05 OUTLIER Glycine 0 N--CA 1.452 -0.279 0 C-N-CA 120.724 -0.751 . . . . 71.42 112.458 -179.954 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . -161.91 174.2 38.35 Favored Glycine 0 N--CA 1.451 -0.342 0 C-N-CA 120.772 -0.728 . . . . 54.1 112.487 -179.953 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -161.14 50.38 0.35 Allowed Glycine 0 N--CA 1.451 -0.323 0 C-N-CA 120.733 -0.746 . . . . 55.44 112.558 -179.924 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 132.19 -135.16 7.99 Favored Glycine 0 N--CA 1.451 -0.34 0 C-N-CA 120.754 -0.736 . . . . 44.04 112.496 -179.89 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . -130.13 -63.82 0.1 Allowed Glycine 0 N--CA 1.451 -0.34 0 C-N-CA 120.7 -0.762 . . . . 60.14 112.481 -179.852 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 23.6 tt0 -52.0 -35.04 45.35 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-O 120.915 0.388 . . . . 62.4 110.939 -179.919 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 37' ' ' LEU . . . . . 0.523 HD21 HH22 ' B' ' 58' ' ' ARG . 7.1 tp -57.0 -47.67 80.3 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.142 -0.481 . . . . 64.32 110.902 179.978 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 38' ' ' MET . . . . . . . . . . . . . 0.1 OUTLIER -70.54 -27.22 63.99 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.207 -0.451 . . . . 64.33 110.924 179.852 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -53.81 -27.87 31.87 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.2 -0.455 . . . . 60.24 110.922 179.898 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 40' ' ' LEU . . . . . 0.723 HD13 ' CB ' ' B' ' 51' ' ' LEU . 2.1 mt -54.89 -61.0 2.6 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.202 -0.454 . . . . 71.23 110.919 179.941 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 41' ' ' CYS . . . . . . . . . . . . . 20.2 p -68.01 -27.01 66.19 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.218 -0.446 . . . . 73.44 110.857 179.948 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 29.4 tt0 -58.51 -25.25 62.2 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.17 -0.468 . . . . 75.33 110.882 -179.856 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 1.4 mm-40 -54.68 -27.7 42.1 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.104 -0.498 . . . . 63.3 110.903 -179.929 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -51.82 -46.31 64.24 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.187 -0.46 . . . . 73.4 111.123 179.932 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -72.82 -22.82 60.75 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.246 -0.434 . . . . 74.53 111.01 179.945 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -77.07 -53.11 8.2 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.223 -0.444 . . . . 74.43 110.925 179.969 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -68.04 -51.13 50.32 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.235 -0.439 . . . . 71.12 110.878 179.89 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 48' ' ' ALA . . . . . 0.416 ' HB1' ' HB2' ' A' ' 16' ' ' LYS . . . -51.82 -44.58 63.58 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.325 -0.398 . . . . 62.14 111.148 179.797 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 41.5 tt0 -77.23 -30.89 54.77 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.186 -0.461 . . . . 64.21 110.869 -179.906 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 1.3 mm-40 -65.94 -51.34 59.36 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.177 -0.465 . . . . 71.11 110.861 -179.976 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 51' ' ' LEU . . . . . 0.768 HD22 ' HB3' ' B' ' 41' ' ' CYS . 3.6 pp -70.0 -40.42 75.29 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.154 -0.476 . . . . 70.21 110.96 -179.918 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 52' ' ' PHE . . . . . . . . . . . . . 34.8 t80 -69.54 -23.82 63.63 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.147 -0.479 . . . . 74.32 110.922 179.846 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -64.68 -59.0 4.77 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.146 -0.479 . . . . 74.13 110.947 179.944 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 54' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -75.23 -23.59 57.58 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.12 -0.491 . . . . 74.24 110.931 179.936 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 55' ' ' ALA . . . . . 0.423 ' HB2' ' O ' ' A' ' 51' ' ' LEU . . . -56.18 -37.03 69.04 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.133 -0.485 . . . . 62.53 111.107 179.818 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 13.9 mt-10 -53.01 -32.84 48.8 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.223 -0.444 . . . . 74.23 110.876 -179.922 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 2.0 tm-20 -60.32 -50.99 71.42 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.094 -0.503 . . . . 74.44 110.898 -179.938 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 58' ' ' ARG . . . . . 0.448 HH22 HD21 ' B' ' 37' ' ' LEU . 0.1 OUTLIER -78.22 -22.3 48.72 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.145 -0.48 . . . . 73.45 110.886 -179.943 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 59' ' ' LEU . . . . . 0.834 HD13 ' HB2' ' A' ' 9' ' ' ALA . 39.2 mt -82.98 -76.72 0.26 Allowed 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.151 -0.477 . . . . 71.41 110.89 -179.903 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -102.36 -175.68 2.89 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.23 -0.441 . . . . 51.41 110.896 179.787 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -101.83 -26.99 13.26 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.221 -0.445 . . . . 65.24 110.835 179.92 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 1.7 mt . . . . . 0 C--N 1.328 -0.356 0 CA-C-N 116.226 -0.443 . . . . 74.13 110.906 179.896 . . . . . . . . 0 0 . 1 . 007 nuclear build core ' B' B ' 1' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.458 -0.074 0 CA-C-O 120.873 0.368 . . . . 63.02 110.914 . . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 2' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 63.09 162.21 0.1 Allowed 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.161 -0.472 . . . . 72.42 110.883 179.929 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 3' ' ' LYS . . . . . . . . . . . . . 15.0 ttpt -141.67 -42.35 0.36 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.232 -0.44 . . . . 70.42 110.837 179.871 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 4' ' ' LEU . . . . . . . . . . . . . 3.8 mm? -71.27 -33.05 69.42 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.211 -0.449 . . . . 72.14 110.944 179.907 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 5' ' ' ARG . . . . . . . . . . . . . 5.3 mtt-85 -71.88 -40.69 68.74 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.236 -0.438 . . . . 70.34 110.888 179.906 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 6' ' ' GLU . . . . . 0.802 ' HA ' HD22 ' B' ' 59' ' ' LEU . 4.9 tt0 -53.43 -26.71 21.14 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.19 -0.459 . . . . 71.32 110.904 -179.948 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 7' ' ' GLU . . . . . . . . . . . . . 67.1 mt-10 -55.02 -28.15 49.89 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.168 -0.469 . . . . 75.33 110.913 -179.918 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 8' ' ' ALA . . . . . 0.499 ' HA ' HD21 ' B' ' 11' ' ' LEU . . . -75.76 -26.62 57.55 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.142 -0.481 . . . . 55.33 111.143 179.897 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 9' ' ' ALA . . . . . 0.623 ' HB2' HD13 ' B' ' 59' ' ' LEU . . . -77.22 -26.02 52.27 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.196 -0.456 . . . . 62.11 111.125 179.922 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 10' ' ' LYS . . . . . . . . . . . . . 19.5 mtpt -68.06 -54.09 20.85 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.224 -0.444 . . . . 62.15 110.893 179.952 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 11' ' ' LEU . . . . . 0.569 HD12 ' N ' ' B' ' 12' ' ' PHE . 1.5 pp -55.89 -44.33 78.07 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.253 -0.431 . . . . 45.44 110.871 179.949 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 12' ' ' PHE . . . . . 0.569 ' N ' HD12 ' B' ' 11' ' ' LEU . 14.2 m-85 -67.12 -20.54 65.79 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.227 -0.442 . . . . 73.32 110.915 179.951 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 13' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -61.99 -26.06 68.0 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.111 -0.495 . . . . 74.04 110.869 -179.887 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 14' ' ' GLU . . . . . . . . . . . . . 5.1 mt-10 -72.42 -34.45 67.85 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.18 -0.464 . . . . 75.44 110.895 -179.888 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 15' ' ' TRP . . . . . 0.419 ' CD2' ' HB2' ' B' ' 48' ' ' ALA . 5.6 t90 -66.88 -43.39 83.61 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.114 -0.493 . . . . 74.31 110.912 179.973 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 16' ' ' LYS . . . . . . . . . . . . . 3.0 ttpt -77.53 -30.31 52.78 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.303 -0.408 . . . . 62.21 110.947 179.891 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 17' ' ' LYS . . . . . . . . . . . . . 2.5 mmmt -75.3 -58.14 3.47 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.212 -0.449 . . . . 73.41 110.887 179.822 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 18' ' ' LEU . . . . . . . . . . . . . 89.3 mt -54.55 -31.95 57.41 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.223 -0.444 . . . . 72.4 110.896 179.962 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 19' ' ' ALA . . . . . 0.491 ' CB ' ' HB2' ' B' ' 45' ' ' ALA . . . -66.14 -28.08 68.52 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.183 -0.462 . . . . 53.54 111.138 179.761 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 20' ' ' GLU . . . . . . . . . . . . . 1.6 mt-10 -73.57 -49.26 27.23 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.198 -0.455 . . . . 72.33 110.867 -179.895 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 21' ' ' GLU . . . . . . . . . . . . . 3.3 mm-40 -72.87 -51.3 19.26 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.102 -0.499 . . . . 74.14 110.889 -179.947 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 22' ' ' ALA . . . . . . . . . . . . . . . -55.59 -22.76 23.65 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.193 -0.458 . . . . 62.52 111.118 179.907 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 23' ' ' ALA . . . . . 0.429 ' HB2' ' O ' ' B' ' 19' ' ' ALA . . . -76.2 -54.56 6.62 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.182 -0.463 . . . . 64.13 111.095 179.964 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 24' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -66.75 -29.92 70.01 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.228 -0.442 . . . . 72.31 110.91 179.928 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 25' ' ' LEU . . . . . 0.435 HD23 ' HA ' ' B' ' 25' ' ' LEU . 5.0 mt -77.69 -42.35 34.84 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.252 -0.431 . . . . 75.42 110.98 179.912 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 26' ' ' LEU . . . . . . . . . . . . . 5.3 mt -50.44 -50.12 53.06 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.12 -0.491 . . . . 73.11 110.912 179.849 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 27' ' ' GLU . . . . . . . . . . . . . 18.1 mt-10 -90.71 12.21 19.82 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.169 -0.469 . . . . 72.32 110.892 179.958 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 28' ' ' GLY . . . . . . . . . . . . . . . -59.29 -14.57 26.97 Favored Glycine 0 N--CA 1.451 -0.331 0 C-N-CA 120.708 -0.758 . . . . 70.21 112.541 179.998 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 29' ' ' GLY . . . . . . . . . . . . . . . 135.31 46.12 0.09 OUTLIER Glycine 0 N--CA 1.451 -0.364 0 C-N-CA 120.801 -0.714 . . . . 64.33 112.551 -179.883 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 30' ' ' GLY . . . . . . . . . . . . . . . 150.76 88.57 0.07 OUTLIER Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 120.707 -0.759 . . . . 74.12 112.48 -179.906 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 31' ' ' GLY . . . . . . . . . . . . . . . 146.58 40.97 0.04 OUTLIER Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.72 -0.752 . . . . 75.23 112.486 -179.943 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 32' ' ' GLY . . . . . . . . . . . . . . . -161.95 173.09 38.24 Favored Glycine 0 N--CA 1.451 -0.338 0 C-N-CA 120.818 -0.706 . . . . 55.31 112.555 -179.981 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 33' ' ' GLY . . . . . . . . . . . . . . . -161.96 49.71 0.34 Allowed Glycine 0 N--CA 1.451 -0.358 0 C-N-CA 120.733 -0.746 . . . . 74.34 112.455 -179.842 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 34' ' ' GLY . . . . . . . . . . . . . . . 131.71 -135.19 8.04 Favored Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 120.755 -0.736 . . . . 64.31 112.462 -179.958 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 35' ' ' GLY . . . . . . . . . . . . . . . -130.22 -64.67 0.1 Allowed Glycine 0 N--CA 1.45 -0.388 0 C-N-CA 120.745 -0.741 . . . . 72.34 112.505 -179.945 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 36' ' ' GLU . . . . . . . . . . . . . 23.5 tt0 -52.82 -35.87 57.72 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.892 0.377 . . . . 71.24 110.886 -179.869 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 37' ' ' LEU . . . . . 0.448 HD21 HH22 ' A' ' 58' ' ' ARG . 7.2 tp -57.37 -47.99 80.19 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.156 -0.474 . . . . 75.33 110.91 179.941 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 38' ' ' MET . . . . . 0.406 ' HE2' ' HA ' ' B' ' 38' ' ' MET . 0.1 OUTLIER -70.38 -26.64 63.8 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.187 -0.46 . . . . 64.13 110.827 179.914 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' B' B ' 39' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -54.0 -27.68 33.31 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.267 -0.424 . . . . 72.53 110.89 179.965 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 40' ' ' LEU . . . . . . . . . . . . . 2.1 mt -54.01 -61.13 2.5 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.244 -0.434 . . . . 65.51 110.886 179.917 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 41' ' ' CYS . . . . . 0.768 ' HB3' HD22 ' A' ' 51' ' ' LEU . 29.3 p -70.24 -28.4 65.22 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.191 -0.458 . . . . 61.43 110.839 179.997 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 42' ' ' GLU . . . . . . . . . . . . . 29.6 tt0 -60.45 -25.52 66.06 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.194 -0.457 . . . . 60.22 110.861 -179.822 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 43' ' ' GLU . . . . . . . . . . . . . 1.4 mm-40 -54.97 -26.02 33.8 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.184 -0.462 . . . . 62.43 110.833 -179.937 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 44' ' ' ALA . . . . . . . . . . . . . . . -51.75 -47.5 64.06 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.165 -0.47 . . . . 74.53 111.1 179.955 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 45' ' ' ALA . . . . . 0.491 ' HB2' ' CB ' ' B' ' 19' ' ' ALA . . . -71.85 -22.86 61.47 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.155 -0.475 . . . . 64.1 111.133 179.918 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 46' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -76.49 -52.75 9.2 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.225 -0.443 . . . . 64.25 110.923 179.935 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 47' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -68.45 -48.49 64.4 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.248 -0.433 . . . . 74.4 110.873 179.86 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 48' ' ' ALA . . . . . 0.419 ' HB2' ' CD2' ' B' ' 15' ' ' TRP . . . -51.89 -46.47 64.56 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.186 -0.461 . . . . 65.32 111.045 179.876 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 49' ' ' GLU . . . . . . . . . . . . . 42.2 tt0 -77.23 -30.6 54.63 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.238 -0.437 . . . . 62.53 110.852 -179.883 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 50' ' ' GLU . . . . . . . . . . . . . 1.2 mm-40 -64.83 -51.26 63.05 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.226 -0.443 . . . . 71.52 110.871 -179.945 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 51' ' ' LEU . . . . . 0.723 ' CB ' HD13 ' A' ' 40' ' ' LEU . 3.6 pp -71.67 -40.31 69.7 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.158 -0.474 . . . . 72.31 110.93 179.989 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 52' ' ' PHE . . . . . 0.405 ' CE1' ' HB1' ' B' ' 9' ' ' ALA . 32.3 t80 -69.06 -23.82 64.09 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.261 -0.427 . . . . 71.33 110.893 179.916 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 53' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -62.02 -57.01 13.26 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.158 -0.474 . . . . 71.14 110.937 179.927 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 54' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -75.06 -23.71 58.12 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.207 -0.451 . . . . 74.14 110.928 179.891 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 55' ' ' ALA . . . . . . . . . . . . . . . -57.7 -36.48 72.04 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.177 -0.465 . . . . 63.35 111.089 179.811 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 56' ' ' GLU . . . . . . . . . . . . . 14.1 mt-10 -52.97 -33.26 50.47 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.234 -0.439 . . . . 75.21 110.909 -179.908 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 57' ' ' GLU . . . . . . . . . . . . . 2.0 tm-20 -60.38 -50.36 73.92 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.062 -0.517 . . . . 75.43 110.876 -179.898 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 58' ' ' ARG . . . . . 0.523 HH22 HD21 ' A' ' 37' ' ' LEU . 0.0 OUTLIER -78.26 -22.65 48.01 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.168 -0.469 . . . . 74.4 110.824 -179.875 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' B' B ' 59' ' ' LEU . . . . . 0.802 HD22 ' HA ' ' B' ' 6' ' ' GLU . 36.1 mt -83.04 -76.61 0.27 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.221 -0.445 . . . . 63.12 110.919 -179.983 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 60' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -102.32 -175.79 2.93 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.24 -0.437 . . . . 71.35 110.927 179.852 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 61' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -101.92 -26.78 13.31 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.298 -0.41 . . . . 70.35 110.87 179.948 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 62' ' ' LEU . . . . . . . . . . . . . 1.7 mt . . . . . 0 C--N 1.329 -0.315 0 CA-C-N 116.211 -0.449 . . . . 73.45 110.872 179.877 . . . . . . . . 0 0 . 1 . 008 nuclear build core ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 6.1 pttm . . . . . 0 C--O 1.232 0.136 0 CA-C-O 120.805 0.336 . . . . 64.31 110.909 . . . . . . . . . 0 0 . 1 . 008 nuclear build core ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -178.4 -39.65 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.198 -0.455 . . . . 62.11 110.941 179.906 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 4.4 mm? -78.4 -32.94 49.02 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.191 -0.459 . . . . 74.44 110.865 179.929 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -71.72 -35.73 70.28 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.186 -0.461 . . . . 74.0 110.863 179.989 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 6' ' ' GLU . . . . . 0.507 ' CA ' HD13 ' A' ' 59' ' ' LEU . 0.2 OUTLIER -54.31 -27.78 37.9 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.195 -0.457 . . . . 70.32 110.813 -179.919 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -53.92 -51.81 62.57 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.199 -0.455 . . . . 75.5 110.85 -179.9 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -52.97 -28.13 22.35 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.251 -0.432 . . . . 71.35 111.102 179.889 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 9' ' ' ALA . . . . . 0.658 ' HB2' ' HB1' ' A' ' 55' ' ' ALA . . . -67.95 -39.21 83.44 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.187 -0.461 . . . . 63.04 111.103 179.968 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -74.97 -31.87 61.55 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.194 -0.457 . . . . 73.41 110.882 179.961 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 63.1 mt -51.87 -47.29 64.57 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.265 -0.425 . . . . 70.0 110.948 179.954 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 12' ' ' PHE . . . . . 0.418 ' CZ ' HD13 ' A' ' 51' ' ' LEU . 23.0 m-85 -74.17 -23.37 59.23 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.169 -0.469 . . . . 63.41 110.871 179.95 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 4.2 tm-20 -61.01 -35.91 78.09 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.095 -0.502 . . . . 74.43 110.918 -179.933 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 4.3 mt-10 -74.81 -30.4 61.4 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.158 -0.474 . . . . 74.31 110.917 -179.93 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 15' ' ' TRP . . . . . . . . . . . . . 20.4 m0 -60.04 -52.8 63.84 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.161 -0.472 . . . . 71.0 110.863 -179.995 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 7.2 tttp -68.8 -28.93 67.2 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.269 -0.423 . . . . 74.53 110.874 179.989 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -68.09 -57.6 5.84 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.236 -0.438 . . . . 70.31 110.926 179.847 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 18' ' ' LEU . . . . . 0.681 HD13 HD13 ' B' ' 18' ' ' LEU . 3.6 mt -54.93 -44.97 74.75 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.208 -0.451 . . . . 73.3 110.912 179.902 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -61.71 -34.28 75.51 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.185 -0.461 . . . . 31.24 111.076 179.831 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -57.88 -49.29 77.23 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.189 -0.46 . . . . 50.41 110.904 -179.939 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 32.6 mt-10 -74.03 -48.85 27.21 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.205 -0.452 . . . . 60.24 110.83 -179.915 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -56.38 -31.01 63.43 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.261 -0.427 . . . . 65.12 111.081 179.941 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -71.02 -54.26 11.86 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.235 -0.439 . . . . 64.12 111.139 179.893 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 5.3 ptpt -62.53 -35.1 78.37 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.233 -0.439 . . . . 75.12 110.943 179.881 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 25' ' ' LEU . . . . . 0.401 ' HA ' HD23 ' A' ' 25' ' ' LEU . 6.7 mt -76.53 -39.08 53.96 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.266 -0.425 . . . . 63.5 110.909 179.945 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 2.1 mt -50.44 -49.73 54.1 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.179 -0.464 . . . . 74.03 110.922 179.902 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -82.64 -12.25 57.78 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.137 -0.483 . . . . 73.14 110.866 179.967 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . 67.32 20.83 71.76 Favored Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 120.766 -0.73 . . . . 75.41 112.464 -179.967 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . 70.95 21.36 78.23 Favored Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.799 -0.715 . . . . 70.32 112.482 -179.882 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . 143.39 -40.54 1.21 Allowed Glycine 0 N--CA 1.452 -0.239 0 C-N-CA 120.684 -0.77 . . . . 52.14 112.447 -179.939 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . -84.84 77.09 2.14 Favored Glycine 0 N--CA 1.451 -0.347 0 C-N-CA 120.818 -0.706 . . . . 61.32 112.464 -179.867 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . -174.04 -149.48 7.06 Favored Glycine 0 N--CA 1.451 -0.364 0 C-N-CA 120.794 -0.717 . . . . 75.34 112.505 -179.912 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -65.44 -69.46 1.34 Allowed Glycine 0 N--CA 1.45 -0.376 0 C-N-CA 120.775 -0.726 . . . . 71.25 112.501 -179.944 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 67.27 44.6 85.33 Favored Glycine 0 N--CA 1.452 -0.272 0 C-N-CA 120.75 -0.738 . . . . 73.12 112.455 -179.9 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . -137.81 -170.33 11.85 Favored Glycine 0 N--CA 1.451 -0.335 0 C-N-CA 120.707 -0.759 . . . . 65.41 112.467 -179.892 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 28.5 tt0 -54.49 -30.73 54.19 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.852 0.358 . . . . 72.23 110.876 -179.908 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 1.7 pp -54.19 -30.43 49.66 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.157 -0.474 . . . . 55.22 110.834 -179.934 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 38' ' ' MET . . . . . . . . . . . . . 0.4 OUTLIER -70.17 -39.27 75.37 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.186 -0.461 . . . . 64.34 110.898 179.844 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 25.9 ttmt -61.28 -28.31 69.09 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.216 -0.447 . . . . 62.54 110.906 179.964 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 1.6 mt -59.31 -56.44 22.07 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.207 -0.451 . . . . 55.42 110.974 179.879 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 41' ' ' CYS . . . . . . . . . . . . . 28.6 p -73.55 -27.89 61.58 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.14 -0.482 . . . . 74.12 110.804 179.963 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 29.8 tt0 -61.3 -26.11 67.57 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.226 -0.443 . . . . 74.43 110.893 -179.86 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 2.3 mt-10 -57.06 -26.99 61.31 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.179 -0.464 . . . . 54.41 110.897 -179.97 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -52.45 -44.13 65.34 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.149 -0.478 . . . . 64.25 111.102 179.909 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -75.05 -24.31 58.23 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.245 -0.434 . . . . 75.32 111.022 -179.974 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -74.56 -48.72 25.16 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.207 -0.452 . . . . 61.53 110.936 179.961 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 48.7 mmtt -69.74 -51.98 29.43 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.201 -0.454 . . . . 73.5 110.896 179.852 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -52.1 -40.63 61.54 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.243 -0.435 . . . . 52.53 111.178 179.77 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 1.7 tt0 -68.75 -34.35 75.44 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.167 -0.47 . . . . 71.41 110.907 -179.997 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 1.3 tp10 -71.94 -51.03 24.07 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.184 -0.462 . . . . 64.01 110.896 -179.917 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 51' ' ' LEU . . . . . 0.418 HD13 ' CZ ' ' A' ' 12' ' ' PHE . 1.2 pp -68.07 -26.02 65.63 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.093 -0.503 . . . . 73.22 110.941 179.966 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 52' ' ' PHE . . . . . . . . . . . . . 12.1 t80 -54.91 -30.81 59.22 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.22 -0.446 . . . . 74.5 110.877 179.965 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 1.1 mtpp -61.54 -35.8 78.76 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.137 -0.483 . . . . 61.34 110.88 -179.974 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 54' ' ' LEU . . . . . . . . . . . . . 6.6 tp -54.97 -26.22 35.13 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.19 -0.459 . . . . 60.41 110.859 179.905 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 55' ' ' ALA . . . . . 0.658 ' HB1' ' HB2' ' A' ' 9' ' ' ALA . . . -53.75 -28.88 37.08 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.218 -0.447 . . . . 61.51 111.187 179.769 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 56' ' ' GLU . . . . . 0.71 ' HB3' HD12 ' A' ' 62' ' ' LEU . 22.0 tt0 -65.53 -52.96 48.69 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.184 -0.462 . . . . 75.14 110.913 -179.942 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 9.8 tt0 -54.49 -40.8 68.86 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.144 -0.48 . . . . 75.42 110.888 179.993 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 4.7 mtp180 -78.14 -25.11 47.18 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.126 -0.488 . . . . 73.32 110.905 -179.882 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 59' ' ' LEU . . . . . 0.507 HD13 ' CA ' ' A' ' 6' ' ' GLU . 63.6 tp -85.55 -68.12 0.75 Allowed 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.158 -0.474 . . . . 43.44 110.87 -179.974 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 60' ' ' LYS . . . . . 0.46 ' HD3' HD23 ' A' ' 59' ' ' LEU . 0.0 OUTLIER -102.57 -75.28 0.61 Allowed 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.294 -0.412 . . . . 73.14 110.925 179.806 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER -179.79 -34.4 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.243 -0.435 . . . . 74.5 110.937 179.874 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 62' ' ' LEU . . . . . 0.71 HD12 ' HB3' ' A' ' 56' ' ' GLU . 6.5 tt . . . . . 0 C--N 1.329 -0.302 0 CA-C-N 116.178 -0.465 . . . . 53.42 110.84 179.88 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 1' ' ' MET . . . . . . . . . . . . . 1.5 ttp . . . . . 0 C--O 1.231 0.117 0 CA-C-O 120.913 0.387 . . . . 64.24 110.869 . . . . . . . . . 0 0 . 1 . 008 nuclear build core ' B' B ' 2' ' ' LYS . . . . . . . . . . . . . 6.0 pttm -52.17 148.03 6.86 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.232 -0.44 . . . . 75.41 110.844 179.973 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 3' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -178.36 -39.76 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.175 -0.466 . . . . 74.51 110.905 179.814 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 4' ' ' LEU . . . . . . . . . . . . . 4.4 mm? -78.25 -32.82 49.86 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.169 -0.469 . . . . 73.1 110.893 179.984 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 5' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -71.93 -35.89 69.77 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.164 -0.471 . . . . 74.42 110.863 179.935 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 6' ' ' GLU . . . . . 0.522 ' CA ' HD13 ' B' ' 59' ' ' LEU . 0.2 OUTLIER -54.35 -27.26 34.91 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.232 -0.44 . . . . 74.53 110.912 -179.933 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' B' B ' 7' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -53.72 -51.64 62.64 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.1 -0.5 . . . . 75.42 110.916 -179.932 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 8' ' ' ALA . . . . . . . . . . . . . . . -52.86 -27.66 19.44 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.149 -0.478 . . . . 33.42 111.085 179.935 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 9' ' ' ALA . . . . . 0.68 ' HB2' ' HB1' ' B' ' 55' ' ' ALA . . . -67.16 -39.63 86.54 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.227 -0.442 . . . . 65.23 111.114 179.905 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 10' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -76.09 -31.98 59.0 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.198 -0.456 . . . . 71.51 110.931 179.999 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 11' ' ' LEU . . . . . . . . . . . . . 60.9 mt -51.82 -47.5 64.29 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.234 -0.439 . . . . 73.32 110.882 179.861 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 12' ' ' PHE . . . . . . . . . . . . . 22.7 m-85 -74.08 -23.34 59.33 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.145 -0.48 . . . . 74.23 110.904 179.981 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 13' ' ' GLU . . . . . . . . . . . . . 4.1 tm-20 -61.01 -35.43 76.84 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.113 -0.494 . . . . 54.44 110.863 -179.935 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 14' ' ' GLU . . . . . . . . . . . . . 4.3 mt-10 -74.31 -30.93 62.28 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.169 -0.469 . . . . 64.32 110.885 -179.912 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 15' ' ' TRP . . . . . . . . . . . . . 19.8 m0 -60.19 -53.08 62.02 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.203 -0.453 . . . . 73.53 110.915 -179.984 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 16' ' ' LYS . . . . . . . . . . . . . 7.2 tttp -68.88 -29.06 67.27 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.201 -0.454 . . . . 73.11 110.938 179.917 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 17' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -68.2 -57.71 5.59 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.217 -0.447 . . . . 75.14 110.9 179.875 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 18' ' ' LEU . . . . . 0.681 HD13 HD13 ' A' ' 18' ' ' LEU . 3.6 mt -54.99 -44.94 74.93 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.214 -0.448 . . . . 72.1 110.918 179.93 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 19' ' ' ALA . . . . . . . . . . . . . . . -61.82 -34.44 75.95 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.175 -0.466 . . . . 73.03 111.137 179.774 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 20' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -57.83 -49.29 77.15 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.275 -0.421 . . . . 75.11 110.876 -179.989 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 21' ' ' GLU . . . . . . . . . . . . . 32.5 mt-10 -74.09 -48.97 26.1 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.191 -0.459 . . . . 74.54 110.811 -179.859 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 22' ' ' ALA . . . . . . . . . . . . . . . -56.33 -30.9 63.2 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.185 -0.461 . . . . 73.22 111.1 179.987 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 23' ' ' ALA . . . . . . . . . . . . . . . -71.08 -54.21 11.92 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.187 -0.461 . . . . 72.52 111.065 179.922 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 24' ' ' LYS . . . . . . . . . . . . . 5.2 ptpt -62.67 -35.02 78.33 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.289 -0.414 . . . . 75.25 110.877 -179.984 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 25' ' ' LEU . . . . . . . . . . . . . 6.7 mt -76.65 -39.02 53.57 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.185 -0.461 . . . . 75.04 110.901 179.971 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 26' ' ' LEU . . . . . . . . . . . . . 2.3 mt -50.43 -49.81 53.83 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.21 -0.45 . . . . 72.51 110.937 179.874 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 27' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -82.46 -12.32 57.92 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.128 -0.487 . . . . 71.35 110.905 179.9 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 28' ' ' GLY . . . . . . . . . . . . . . . 67.08 21.26 71.63 Favored Glycine 0 N--CA 1.451 -0.325 0 C-N-CA 120.754 -0.736 . . . . 61.22 112.504 -179.904 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 29' ' ' GLY . . . . . . . . . . . . . . . 71.35 21.15 78.59 Favored Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.735 -0.745 . . . . 60.31 112.512 -179.925 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 30' ' ' GLY . . . . . . . . . . . . . . . 143.26 -40.44 1.23 Allowed Glycine 0 N--CA 1.451 -0.32 0 C-N-CA 120.721 -0.752 . . . . 43.41 112.45 -179.902 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 31' ' ' GLY . . . . . . . . . . . . . . . -85.08 77.41 2.11 Favored Glycine 0 N--CA 1.452 -0.298 0 C-N-CA 120.75 -0.738 . . . . 70.14 112.441 -179.915 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 32' ' ' GLY . . . . . . . . . . . . . . . -173.71 -149.97 7.28 Favored Glycine 0 N--CA 1.452 -0.285 0 C-N-CA 120.75 -0.738 . . . . 73.0 112.458 -179.945 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 33' ' ' GLY . . . . . . . . . . . . . . . -65.67 -69.66 1.29 Allowed Glycine 0 N--CA 1.45 -0.375 0 C-N-CA 120.75 -0.738 . . . . 54.22 112.566 -179.997 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 34' ' ' GLY . . . . . . . . . . . . . . . 67.37 44.47 84.59 Favored Glycine 0 N--CA 1.45 -0.39 0 C-N-CA 120.739 -0.743 . . . . 64.23 112.496 -179.95 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 35' ' ' GLY . . . . . . . . . . . . . . . -137.83 -170.46 11.88 Favored Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.693 -0.765 . . . . 72.21 112.428 -179.924 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 36' ' ' GLU . . . . . . . . . . . . . 28.4 tt0 -54.86 -31.06 59.22 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-O 120.853 0.359 . . . . 73.4 110.865 -179.842 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 37' ' ' LEU . . . . . . . . . . . . . 1.7 pp -54.34 -31.22 53.93 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.157 -0.474 . . . . 72.14 110.953 -179.995 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 38' ' ' MET . . . . . . . . . . . . . 0.4 OUTLIER -70.7 -39.08 73.65 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.12 -0.491 . . . . 73.12 110.965 179.799 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 39' ' ' LYS . . . . . . . . . . . . . 26.0 ttmt -61.26 -28.12 68.95 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.192 -0.458 . . . . 71.33 110.899 179.908 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 40' ' ' LEU . . . . . . . . . . . . . 1.6 mt -58.82 -56.64 19.65 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.23 -0.441 . . . . 72.33 110.901 179.926 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 41' ' ' CYS . . . . . . . . . . . . . 29.0 p -73.54 -27.89 61.58 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.219 -0.446 . . . . 52.33 110.902 179.961 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 42' ' ' GLU . . . . . . . . . . . . . 30.0 tt0 -61.05 -25.94 67.28 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.116 -0.493 . . . . 74.22 110.917 -179.867 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 43' ' ' GLU . . . . . . . . . . . . . 2.3 mt-10 -56.91 -27.09 60.4 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.11 -0.495 . . . . 73.12 110.857 -179.877 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 44' ' ' ALA . . . . . . . . . . . . . . . -52.44 -44.02 65.24 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.135 -0.484 . . . . 71.4 111.082 179.938 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 45' ' ' ALA . . . . . . . . . . . . . . . -75.13 -24.34 57.99 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.222 -0.445 . . . . 74.24 111.056 -179.988 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 46' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -74.44 -48.93 24.56 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.177 -0.465 . . . . 75.14 110.853 179.967 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 47' ' ' LYS . . . . . . . . . . . . . 48.5 mmtt -70.13 -51.54 30.67 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.225 -0.443 . . . . 72.23 110.934 179.873 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 48' ' ' ALA . . . . . . . . . . . . . . . -51.93 -40.56 60.98 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.168 -0.469 . . . . 74.13 111.118 179.824 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 49' ' ' GLU . . . . . . . . . . . . . 1.7 tt0 -68.62 -34.35 75.6 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.194 -0.457 . . . . 63.4 110.93 -179.916 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 50' ' ' GLU . . . . . . . . . . . . . 1.3 tp10 -72.25 -50.96 23.25 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.099 -0.5 . . . . 71.03 110.879 -179.922 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 51' ' ' LEU . . . . . . . . . . . . . 1.2 pp -68.19 -24.06 64.91 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.165 -0.471 . . . . 71.31 110.917 -179.94 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 52' ' ' PHE . . . . . . . . . . . . . 11.3 t80 -53.99 -31.74 51.83 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.18 -0.463 . . . . 73.04 110.814 179.992 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 53' ' ' LYS . . . . . . . . . . . . . 1.1 mtpp -61.92 -33.0 73.45 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.174 -0.466 . . . . 74.44 110.804 179.992 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 54' ' ' LEU . . . . . . . . . . . . . 6.7 tp -55.21 -25.37 32.61 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.326 -0.397 . . . . 53.45 110.886 179.954 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 55' ' ' ALA . . . . . 0.68 ' HB1' ' HB2' ' B' ' 9' ' ' ALA . . . -54.87 -33.87 62.32 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.21 -0.45 . . . . 30.53 111.098 179.821 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 56' ' ' GLU . . . . . 0.673 ' HB2' HD12 ' B' ' 62' ' ' LEU . 44.3 mt-10 -66.42 -36.55 83.09 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.239 -0.437 . . . . 72.13 110.859 -179.922 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 57' ' ' GLU . . . . . . . . . . . . . 9.9 tt0 -59.84 -47.81 84.24 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.178 -0.465 . . . . 65.11 110.915 -179.953 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 58' ' ' ARG . . . . . . . . . . . . . 3.6 mpp_? -78.8 -29.31 44.81 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.193 -0.458 . . . . 61.41 110.823 -179.896 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 59' ' ' LEU . . . . . 0.522 HD13 ' CA ' ' B' ' 6' ' ' GLU . 47.5 tp -74.47 -67.08 0.66 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.205 -0.452 . . . . 73.25 110.899 -179.96 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 60' ' ' LYS . . . . . 0.519 ' HD3' HD23 ' B' ' 59' ' ' LEU . 0.0 OUTLIER -111.77 -75.98 0.6 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.205 -0.452 . . . . 72.33 110.831 179.907 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' B' B ' 61' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER 179.04 -33.81 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.134 -0.485 . . . . 75.02 110.917 179.918 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 62' ' ' LEU . . . . . 0.673 HD12 ' HB2' ' B' ' 56' ' ' GLU . 6.7 tt . . . . . 0 C--N 1.328 -0.335 0 CA-C-N 116.169 -0.469 . . . . 51.43 110.892 179.897 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 6.9 pttt . . . . . 0 C--O 1.233 0.185 0 CA-C-O 120.869 0.366 . . . . 75.13 110.895 . . . . . . . . . 0 0 . 1 . 009 nuclear build core ' A' A ' 3' ' ' LYS . . . . . 0.433 ' C ' HD22 ' A' ' 4' ' ' LEU . 1.9 mtpt -157.17 49.48 0.45 Allowed 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.248 -0.433 . . . . 72.21 110.911 179.862 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 4' ' ' LEU . . . . . 0.466 HD22 ' N ' ' A' ' 4' ' ' LEU . 1.7 mm? 60.57 17.86 7.81 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.198 -0.455 . . . . 62.43 110.888 179.891 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 0.8 OUTLIER -72.84 -41.06 65.21 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.223 -0.444 . . . . 75.45 110.829 -179.982 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 21.5 tt0 -53.96 -30.66 47.76 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.188 -0.46 . . . . 74.21 110.866 -179.921 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -55.28 -50.24 70.04 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.113 -0.494 . . . . 64.03 110.85 -179.893 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -54.4 -27.98 40.42 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.127 -0.488 . . . . 42.41 111.116 179.953 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 9' ' ' ALA . . . . . 0.442 ' HB2' ' HB1' ' A' ' 55' ' ' ALA . . . -74.03 -38.04 64.15 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.181 -0.463 . . . . 74.12 111.088 179.952 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 1.7 mtmt -70.89 -29.29 65.33 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.262 -0.426 . . . . 75.41 110.911 179.934 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 56.6 mt -51.65 -45.26 63.3 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.234 -0.439 . . . . 72.21 110.94 179.942 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 27.4 m-85 -74.23 -29.35 61.67 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.129 -0.487 . . . . 72.12 110.857 179.962 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -59.69 -36.5 76.63 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.131 -0.486 . . . . 74.13 110.935 -179.928 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 2.7 mt-10 -75.01 -33.85 61.85 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.123 -0.489 . . . . 75.52 110.931 179.99 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 15' ' ' TRP . . . . . . . . . . . . . 1.3 m0 -61.42 -45.96 92.14 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.15 -0.477 . . . . 74.35 110.872 -179.931 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 16' ' ' LYS . . . . . 0.408 ' HB2' ' HB3' ' A' ' 48' ' ' ALA . 0.3 OUTLIER -77.32 -27.57 52.9 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.247 -0.433 . . . . 72.3 110.841 179.969 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -71.58 -53.13 14.76 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.244 -0.435 . . . . 72.31 110.835 179.935 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 22.8 mt -54.79 -29.0 53.24 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.247 -0.433 . . . . 72.23 110.927 179.99 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -65.98 -34.88 79.11 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.142 -0.481 . . . . 74.31 111.154 179.754 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 3.3 tt0 -56.3 -49.31 74.66 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.185 -0.461 . . . . 62.43 110.86 -179.93 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 1.7 mm-40 -74.1 -51.52 15.46 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.204 -0.453 . . . . 70.23 110.846 -179.884 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -53.54 -30.64 42.75 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.136 -0.483 . . . . 63.21 111.113 179.952 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -70.8 -54.09 12.92 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.187 -0.46 . . . . 71.51 111.11 179.889 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -64.58 -33.42 75.89 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.242 -0.435 . . . . 75.21 110.9 179.978 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 25' ' ' LEU . . . . . 0.434 HD23 ' HA ' ' A' ' 25' ' ' LEU . 4.8 mt -76.59 -40.35 49.78 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.224 -0.444 . . . . 73.14 110.932 179.88 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 2.9 mt -50.74 -49.92 56.77 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 116.205 -0.452 . . . . 61.53 110.975 179.88 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 11.9 mm-40 -93.32 12.51 24.44 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.152 -0.476 . . . . 73.12 110.872 179.858 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . -59.29 -14.6 27.09 Favored Glycine 0 N--CA 1.453 -0.227 0 C-N-CA 120.784 -0.722 . . . . 55.11 112.456 -179.945 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . 138.68 47.48 0.06 OUTLIER Glycine 0 N--CA 1.451 -0.342 0 C-N-CA 120.746 -0.74 . . . . 41.03 112.493 -179.894 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . -175.6 35.09 0.1 OUTLIER Glycine 0 N--CA 1.452 -0.286 0 C-N-CA 120.703 -0.76 . . . . 74.41 112.43 -179.893 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . -130.01 -120.07 2.2 Favored Glycine 0 N--CA 1.452 -0.289 0 C-N-CA 120.683 -0.77 . . . . 44.03 112.478 -179.961 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . -109.51 -61.54 0.52 Allowed Glycine 0 N--CA 1.451 -0.347 0 C-N-CA 120.713 -0.756 . . . . 72.24 112.511 -179.932 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . 151.85 -60.43 0.41 Allowed Glycine 0 N--CA 1.451 -0.343 0 C-N-CA 120.718 -0.753 . . . . 62.11 112.452 -179.944 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 176.32 82.86 0.06 OUTLIER Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 120.768 -0.73 . . . . 74.52 112.463 -179.954 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . -144.1 -154.24 6.08 Favored Glycine 0 N--CA 1.451 -0.341 0 C-N-CA 120.707 -0.758 . . . . 72.03 112.491 -179.947 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 1.5 pt-20 -73.49 -12.69 60.87 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-O 120.8 0.333 . . . . 64.24 110.895 -179.914 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 4.8 tp -51.46 -55.16 20.33 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.188 -0.46 . . . . 75.03 110.95 -179.95 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 38' ' ' MET . . . . . . . . . . . . . 33.1 tpp -68.7 -34.42 75.62 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.203 -0.453 . . . . 64.3 110.874 179.787 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -55.23 -28.68 54.92 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.242 -0.435 . . . . 61.42 110.943 179.937 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 40' ' ' LEU . . . . . 0.562 ' CB ' HD21 ' B' ' 51' ' ' LEU . 4.7 mt -68.69 -57.13 6.11 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.177 -0.465 . . . . 65.31 110.892 179.941 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 41' ' ' CYS . . . . . . . . . . . . . 17.8 p -67.68 -24.4 65.41 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.201 -0.454 . . . . 64.41 110.874 179.962 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 1.7 mt-10 -55.87 -25.13 40.93 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.201 -0.454 . . . . 72.55 110.903 -179.956 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 12.2 mm-40 -54.28 -28.31 41.09 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.2 -0.455 . . . . 70.34 110.852 -179.975 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -51.51 -43.5 62.27 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.18 -0.463 . . . . 51.23 111.126 179.929 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -75.04 -22.84 58.15 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.155 -0.475 . . . . 73.23 111.128 179.928 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -77.75 -51.03 11.2 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.212 -0.449 . . . . 73.1 110.925 179.917 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 47' ' ' LYS . . . . . 0.463 ' C ' HD12 ' A' ' 51' ' ' LEU . 0.8 OUTLIER -69.03 -53.41 20.62 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.23 -0.441 . . . . 70.0 110.926 179.837 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 48' ' ' ALA . . . . . 0.408 ' HB3' ' HB2' ' A' ' 16' ' ' LYS . . . -51.96 -29.67 21.48 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.216 -0.447 . . . . 75.25 111.09 179.897 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 2.0 tt0 -71.26 -44.45 65.26 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.185 -0.461 . . . . 73.43 110.895 -179.961 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 27.1 tp10 -74.0 -33.43 63.8 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.118 -0.492 . . . . 63.3 110.914 -179.945 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 51' ' ' LEU . . . . . 0.685 ' HG ' HD13 ' B' ' 40' ' ' LEU . 2.4 mt -71.23 -38.2 71.98 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.145 -0.479 . . . . 62.12 110.886 -179.945 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 52' ' ' PHE . . . . . . . . . . . . . 43.1 t80 -53.86 -30.92 47.74 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.253 -0.43 . . . . 63.34 110.857 179.973 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 1.6 mptt -75.61 -39.82 57.35 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.136 -0.483 . . . . 75.03 110.9 179.931 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 54' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -59.54 -25.07 64.22 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.199 -0.455 . . . . 75.42 110.927 179.94 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 55' ' ' ALA . . . . . 0.442 ' HB1' ' HB2' ' A' ' 9' ' ' ALA . . . -68.4 -30.44 69.35 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.152 -0.476 . . . . 72.15 111.099 179.785 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 39.6 tt0 -52.83 -34.34 53.5 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.226 -0.443 . . . . 73.44 110.855 -179.908 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 2.3 tt0 -65.81 -43.0 89.95 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.193 -0.458 . . . . 74.24 110.901 -179.973 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 2.5 mpt_? -77.75 -25.66 49.33 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.126 -0.488 . . . . 75.44 110.907 -179.929 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 59' ' ' LEU . . . . . . . . . . . . . 1.5 tp -85.43 -73.65 0.43 Allowed 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.214 -0.448 . . . . 72.41 110.937 179.999 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -105.57 -175.55 2.83 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.188 -0.46 . . . . 74.42 110.888 179.782 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 5.5 mttt -102.0 29.49 5.01 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.187 -0.46 . . . . 74.51 110.93 179.864 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 3.4 mp . . . . . 0 C--N 1.329 -0.291 0 CA-C-N 116.259 -0.428 . . . . 51.25 110.975 179.942 . . . . . . . . 0 0 . 1 . 009 nuclear build core ' B' B ' 1' ' ' MET . . . . . . . . . . . . . 6.2 mtm . . . . . 0 C--O 1.231 0.116 0 CA-C-O 120.856 0.36 . . . . 71.21 110.816 . . . . . . . . . 0 0 . 1 . 009 nuclear build core ' B' B ' 2' ' ' LYS . . . . . . . . . . . . . 6.8 pttt -122.3 171.07 9.31 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.18 -0.463 . . . . 75.53 110.922 179.916 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 3' ' ' LYS . . . . . 0.418 ' C ' HD22 ' B' ' 4' ' ' LEU . 1.7 mtpt -158.01 50.86 0.42 Allowed 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.253 -0.43 . . . . 74.53 110.925 179.809 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 4' ' ' LEU . . . . . 0.467 HD22 ' N ' ' B' ' 4' ' ' LEU . 1.8 mm? 60.47 18.14 7.93 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.212 -0.449 . . . . 75.02 110.958 179.977 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 5' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER -73.11 -38.44 66.34 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.195 -0.457 . . . . 54.14 110.899 179.939 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 6' ' ' GLU . . . . . 0.572 ' N ' HD23 ' B' ' 59' ' ' LEU . 20.3 tt0 -53.78 -28.39 34.56 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.22 -0.445 . . . . 72.5 110.89 -179.979 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 7' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -53.15 -50.97 63.46 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.123 -0.489 . . . . 74.23 110.924 -179.958 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 8' ' ' ALA . . . . . . . . . . . . . . . -52.51 -27.36 16.1 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.196 -0.456 . . . . 74.23 111.062 179.957 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 9' ' ' ALA . . . . . 0.697 ' HB2' ' CB ' ' B' ' 55' ' ' ALA . . . -74.26 -37.81 63.64 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.268 -0.424 . . . . 45.14 111.111 179.933 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 10' ' ' LYS . . . . . . . . . . . . . 1.7 mtmt -70.88 -34.97 72.13 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.238 -0.437 . . . . 74.31 110.918 179.973 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 11' ' ' LEU . . . . . . . . . . . . . 49.6 mt -51.86 -44.4 63.66 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.239 -0.437 . . . . 64.44 110.958 179.862 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 12' ' ' PHE . . . . . . . . . . . . . 27.4 m-85 -74.14 -24.97 59.5 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.275 -0.421 . . . . 74.22 110.882 179.917 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 13' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -53.85 -27.81 32.06 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.174 -0.466 . . . . 75.41 110.904 -179.938 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 14' ' ' GLU . . . . . . . . . . . . . 2.7 mt-10 -68.16 -38.21 81.84 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.133 -0.485 . . . . 74.32 110.881 -179.93 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 15' ' ' TRP . . . . . 0.408 ' CD1' ' HB1' ' B' ' 44' ' ' ALA . 5.2 t90 -64.7 -42.42 95.31 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.174 -0.466 . . . . 75.44 110.909 179.999 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 16' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -77.51 -29.01 52.25 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.276 -0.42 . . . . 70.32 110.92 179.892 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 17' ' ' LYS . . . . . . . . . . . . . 1.1 mmtp -75.05 -55.53 5.65 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.271 -0.422 . . . . 72.41 110.888 179.852 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 18' ' ' LEU . . . . . . . . . . . . . 22.7 mt -54.4 -26.95 33.41 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.163 -0.471 . . . . 64.14 110.942 179.927 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 19' ' ' ALA . . . . . . . . . . . . . . . -64.23 -39.43 93.96 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.161 -0.472 . . . . 72.53 111.098 179.792 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 20' ' ' GLU . . . . . . . . . . . . . 3.3 tt0 -56.41 -49.65 73.9 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.262 -0.426 . . . . 72.03 110.837 -179.924 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 21' ' ' GLU . . . . . . . . . . . . . 1.7 mm-40 -74.13 -51.52 15.36 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.16 -0.473 . . . . 75.14 110.863 -179.904 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 22' ' ' ALA . . . . . . . . . . . . . . . -53.34 -30.66 40.54 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.221 -0.445 . . . . 71.44 111.126 179.933 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 23' ' ' ALA . . . . . . . . . . . . . . . -70.78 -54.11 12.9 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.225 -0.443 . . . . 75.12 111.076 179.916 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 24' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -64.67 -33.49 76.06 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.277 -0.42 . . . . 73.34 110.898 179.989 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 25' ' ' LEU . . . . . 0.439 HD23 ' HA ' ' B' ' 25' ' ' LEU . 4.7 mt -76.46 -40.3 50.84 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.223 -0.444 . . . . 74.24 110.889 179.927 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 26' ' ' LEU . . . . . . . . . . . . . 2.8 mt -50.75 -50.28 56.06 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.208 -0.451 . . . . 74.24 110.96 179.916 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 27' ' ' GLU . . . . . . . . . . . . . 12.1 mm-40 -94.49 12.44 27.3 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.197 -0.456 . . . . 55.3 110.88 179.927 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 28' ' ' GLY . . . . . . . . . . . . . . . -59.22 -14.77 27.43 Favored Glycine 0 N--CA 1.452 -0.278 0 C-N-CA 120.757 -0.735 . . . . 31.13 112.41 -179.908 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 29' ' ' GLY . . . . . . . . . . . . . . . 136.54 47.11 0.08 OUTLIER Glycine 0 N--CA 1.451 -0.346 0 C-N-CA 120.733 -0.746 . . . . 43.23 112.455 -179.88 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 30' ' ' GLY . . . . . . . . . . . . . . . -176.46 36.67 0.09 OUTLIER Glycine 0 N--CA 1.451 -0.302 0 C-N-CA 120.739 -0.743 . . . . 50.31 112.474 -179.91 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 31' ' ' GLY . . . . . . . . . . . . . . . -129.0 -122.66 2.48 Favored Glycine 0 N--CA 1.45 -0.412 0 C-N-CA 120.731 -0.747 . . . . 71.03 112.502 -179.941 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 32' ' ' GLY . . . . . . . . . . . . . . . -111.62 -61.4 0.47 Allowed Glycine 0 N--CA 1.451 -0.334 0 C-N-CA 120.786 -0.721 . . . . 64.43 112.518 -179.884 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 33' ' ' GLY . . . . . . . . . . . . . . . 151.84 -58.22 0.43 Allowed Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 120.712 -0.756 . . . . 64.22 112.477 -179.886 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 34' ' ' GLY . . . . . . . . . . . . . . . 178.27 81.3 0.06 OUTLIER Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 120.732 -0.747 . . . . 53.51 112.474 -179.906 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 35' ' ' GLY . . . . . . . . . . . . . . . -144.99 -153.55 5.89 Favored Glycine 0 N--CA 1.452 -0.299 0 C-N-CA 120.694 -0.765 . . . . 43.21 112.525 -179.937 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 36' ' ' GLU . . . . . . . . . . . . . 1.5 pt-20 -73.81 -12.88 60.83 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 120.884 0.373 . . . . 41.53 110.873 -179.875 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 37' ' ' LEU . . . . . . . . . . . . . 4.6 tp -51.38 -55.86 16.29 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.185 -0.461 . . . . 75.15 110.929 -179.992 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 38' ' ' MET . . . . . . . . . . . . . 33.5 tpp -69.21 -34.25 74.6 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.206 -0.452 . . . . 64.24 110.843 179.848 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 39' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -54.17 -29.31 45.15 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.27 -0.423 . . . . 74.03 110.875 179.953 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 40' ' ' LEU . . . . . 0.685 HD13 ' HG ' ' A' ' 51' ' ' LEU . 5.1 mt -66.56 -59.17 3.87 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.231 -0.44 . . . . 71.32 110.899 179.955 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 41' ' ' CYS . . . . . . . . . . . . . 18.2 p -67.05 -25.36 66.22 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.141 -0.482 . . . . 72.22 110.987 179.869 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 42' ' ' GLU . . . . . . . . . . . . . 1.7 mt-10 -57.22 -25.48 59.16 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.125 -0.489 . . . . 75.5 110.89 -179.914 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 43' ' ' GLU . . . . . . . . . . . . . 12.3 mm-40 -54.6 -27.43 39.26 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.142 -0.481 . . . . 53.24 110.893 -179.935 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 44' ' ' ALA . . . . . 0.408 ' HB1' ' CD1' ' B' ' 15' ' ' TRP . . . -51.71 -45.76 63.69 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.107 -0.497 . . . . 61.13 111.157 179.887 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 45' ' ' ALA . . . . . . . . . . . . . . . -72.99 -22.91 60.6 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.175 -0.466 . . . . 63.21 111.109 179.895 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 46' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -76.89 -51.05 11.93 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.227 -0.442 . . . . 65.42 110.893 179.965 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 47' ' ' LYS . . . . . 0.476 ' C ' HD12 ' B' ' 51' ' ' LEU . 0.8 OUTLIER -70.71 -53.89 13.92 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.276 -0.42 . . . . 70.11 110.897 179.888 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' B' B ' 48' ' ' ALA . . . . . . . . . . . . . . . -51.89 -29.8 21.42 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.234 -0.439 . . . . 64.45 111.117 179.859 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 49' ' ' GLU . . . . . . . . . . . . . 2.0 tt0 -70.96 -44.39 66.14 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.18 -0.464 . . . . 75.24 110.87 -179.94 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 50' ' ' GLU . . . . . . . . . . . . . 27.1 tp10 -74.0 -35.02 64.39 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.147 -0.479 . . . . 75.25 110.975 -179.979 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 51' ' ' LEU . . . . . 0.562 HD21 ' CB ' ' A' ' 40' ' ' LEU . 2.5 mt -73.13 -45.62 55.77 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.088 -0.506 . . . . 71.3 110.921 -179.972 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 52' ' ' PHE . . . . . . . . . . . . . 42.8 t80 -53.84 -34.83 60.46 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.169 -0.469 . . . . 72.22 110.934 179.924 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 53' ' ' LYS . . . . . . . . . . . . . 1.7 mptt -76.2 -35.3 59.15 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.067 -0.515 . . . . 74.25 110.915 179.937 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 54' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -54.6 -27.89 42.46 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.248 -0.433 . . . . 72.23 110.934 179.907 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 55' ' ' ALA . . . . . 0.697 ' CB ' ' HB2' ' B' ' 9' ' ' ALA . . . -73.13 -35.83 66.59 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.081 -0.509 . . . . 51.02 111.09 179.814 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 56' ' ' GLU . . . . . . . . . . . . . 39.5 tt0 -52.59 -34.26 49.94 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.209 -0.451 . . . . 51.5 110.91 -179.973 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 57' ' ' GLU . . . . . . . . . . . . . 2.3 tt0 -66.11 -40.31 90.63 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 116.137 -0.483 . . . . 71.32 110.882 -179.878 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 58' ' ' ARG . . . . . . . . . . . . . 2.4 mpt_? -78.42 -28.29 46.78 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.137 -0.483 . . . . 73.43 110.894 -179.954 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 59' ' ' LEU . . . . . 0.572 HD23 ' N ' ' B' ' 6' ' ' GLU . 1.4 tm? -84.19 -69.95 0.61 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.182 -0.463 . . . . 73.25 110.874 -179.924 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 60' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -109.52 -175.05 2.65 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.204 -0.453 . . . . 75.21 110.975 179.815 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 61' ' ' LYS . . . . . . . . . . . . . 5.5 mttt -101.94 31.12 4.04 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.276 -0.42 . . . . 51.31 110.921 179.898 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 62' ' ' LEU . . . . . . . . . . . . . 3.4 mp . . . . . 0 C--N 1.329 -0.323 0 CA-C-N 116.161 -0.472 . . . . 64.22 110.926 179.996 . . . . . . . . 0 0 . 1 . 010 nuclear build core ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.232 0.135 0 CA-C-O 120.732 0.301 . . . . 73.13 110.921 . . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 9.6 mttt -179.33 -38.48 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.249 -0.432 . . . . 73.25 110.91 179.839 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 4.5 mm? -90.4 -35.71 15.02 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.261 -0.427 . . . . 40.22 110.931 179.879 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 3.8 mtt-85 -68.21 -37.93 81.38 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.146 -0.479 . . . . 72.2 110.9 179.962 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 6' ' ' GLU . . . . . 0.408 ' O ' ' HB3' ' A' ' 9' ' ' ALA . 0.4 OUTLIER -53.76 -31.82 50.02 Favored 'General case' 0 C--N 1.331 -0.207 0 CA-C-N 116.152 -0.476 . . . . 60.25 110.898 -179.884 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 45.4 mm-40 -54.0 -42.85 69.52 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.103 -0.499 . . . . 72.2 110.894 -179.926 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -71.84 -26.71 62.48 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.163 -0.471 . . . . 65.33 111.11 179.914 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 9' ' ' ALA . . . . . 0.645 ' HB2' HD13 ' A' ' 59' ' ' LEU . . . -55.71 -49.19 73.7 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.256 -0.429 . . . . 63.02 111.118 179.897 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 20.8 mtpt -55.79 -38.92 70.56 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.173 -0.467 . . . . 64.12 110.913 179.963 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 44.0 mt -51.71 -41.95 61.88 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.192 -0.458 . . . . 75.13 110.913 179.944 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 12' ' ' PHE . . . . . 0.428 ' CG ' HD11 ' A' ' 51' ' ' LEU . 22.2 m-85 -74.26 -26.16 60.05 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.156 -0.475 . . . . 65.15 110.853 179.917 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -58.37 -41.66 85.26 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.201 -0.454 . . . . 64.11 110.933 -179.947 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 7.1 mt-10 -75.14 -27.57 59.82 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.059 -0.518 . . . . 74.24 110.923 -179.97 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 15' ' ' TRP . . . . . . . . . . . . . 1.2 m0 -60.67 -48.54 81.32 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.183 -0.462 . . . . 73.14 110.942 -179.968 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 16' ' ' LYS . . . . . 0.443 ' HB3' ' HB1' ' A' ' 48' ' ' ALA . 16.0 ptmt -77.02 -28.04 54.81 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.247 -0.433 . . . . 62.44 110.939 179.909 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 8.0 ttmm -69.83 -51.81 30.38 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.166 -0.47 . . . . 74.33 110.953 179.81 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 12.0 mt -54.81 -35.94 64.42 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.227 -0.442 . . . . 71.04 110.972 179.885 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -66.77 -23.37 66.07 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.19 -0.459 . . . . 63.32 111.082 179.8 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 2.1 tp10 -73.02 -49.37 29.21 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.225 -0.443 . . . . 72.24 110.952 179.998 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 21.3 mt-10 -72.3 -51.0 22.79 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.1 -0.5 . . . . 74.11 110.925 -179.945 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -54.67 -30.6 55.93 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.142 -0.481 . . . . 52.32 111.132 179.93 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -71.04 -54.33 11.54 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.239 -0.437 . . . . 61.41 111.094 179.87 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 6.3 ptmt -63.48 -34.29 77.45 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.232 -0.44 . . . . 75.44 110.859 -179.972 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 6.0 mt -76.75 -39.11 52.83 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.238 -0.437 . . . . 74.23 110.88 179.939 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 2.2 mt -50.75 -49.9 56.91 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.254 -0.43 . . . . 75.12 110.927 179.842 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -90.63 12.2 19.68 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.178 -0.465 . . . . 74.05 110.922 179.9 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . -58.89 -14.72 24.77 Favored Glycine 0 N--CA 1.451 -0.307 0 C-N-CA 120.738 -0.744 . . . . 74.44 112.501 -179.954 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . 140.07 48.24 0.06 OUTLIER Glycine 0 N--CA 1.451 -0.344 0 C-N-CA 120.72 -0.752 . . . . 42.23 112.462 -179.92 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . -79.59 -43.28 10.4 Favored Glycine 0 N--CA 1.451 -0.316 0 C-N-CA 120.767 -0.73 . . . . 54.25 112.485 -179.919 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . 98.52 127.97 5.99 Favored Glycine 0 N--CA 1.452 -0.267 0 C-N-CA 120.703 -0.761 . . . . 55.4 112.461 -179.902 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . 153.57 -129.9 2.81 Favored Glycine 0 N--CA 1.452 -0.293 0 C-N-CA 120.756 -0.735 . . . . 34.12 112.486 -179.979 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . 167.94 72.3 0.03 OUTLIER Glycine 0 N--CA 1.45 -0.39 0 C-N-CA 120.676 -0.773 . . . . 63.45 112.491 -179.919 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . -120.54 89.49 0.45 Allowed Glycine 0 N--CA 1.452 -0.267 0 C-N-CA 120.74 -0.743 . . . . 72.11 112.493 -179.892 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . -52.59 -81.72 0.05 OUTLIER Glycine 0 N--CA 1.452 -0.29 0 C-N-CA 120.681 -0.771 . . . . 64.3 112.498 -179.923 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 28.2 tt0 -63.11 -21.49 66.22 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.857 0.361 . . . . 72.21 110.896 -179.882 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 16.1 tp -50.9 -36.14 36.66 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.128 -0.487 . . . . 71.25 110.911 179.952 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 38' ' ' MET . . . . . . . . . . . . . 1.0 OUTLIER -72.65 -35.02 67.65 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.219 -0.446 . . . . 71.45 110.827 179.889 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 2.2 tttt -58.5 -28.0 65.0 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.189 -0.46 . . . . 74.12 110.909 179.96 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 40' ' ' LEU . . . . . 0.549 HD13 ' CB ' ' B' ' 51' ' ' LEU . 2.8 mt -59.95 -61.14 2.83 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.234 -0.439 . . . . 51.23 110.9 179.913 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 41' ' ' CYS . . . . . . . . . . . . . 28.1 p -69.06 -31.3 69.97 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.198 -0.456 . . . . 64.2 110.843 179.974 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 11.2 tt0 -55.93 -25.48 43.41 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.236 -0.438 . . . . 73.42 110.891 -179.874 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 2.5 mm-40 -54.54 -29.3 50.44 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.182 -0.463 . . . . 75.12 110.877 -179.906 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -51.75 -43.79 63.08 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.164 -0.471 . . . . 71.44 111.134 179.927 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -75.09 -23.1 57.94 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.205 -0.452 . . . . 72.33 111.094 179.898 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -77.02 -50.36 13.29 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.256 -0.429 . . . . 74.41 110.974 179.924 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 9.4 mmtm -69.36 -46.86 65.96 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.18 -0.464 . . . . 41.54 110.874 179.869 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 48' ' ' ALA . . . . . 0.443 ' HB1' ' HB3' ' A' ' 16' ' ' LYS . . . -51.97 -47.11 64.98 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.258 -0.428 . . . . 73.45 111.186 179.755 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -77.14 -32.46 56.38 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.119 -0.491 . . . . 73.41 110.902 -179.932 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 1.1 mm-40 -62.69 -51.12 68.44 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.176 -0.466 . . . . 75.11 110.944 -179.98 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 51' ' ' LEU . . . . . 0.525 ' HA ' HD13 ' B' ' 40' ' ' LEU . 3.9 pp -72.2 -39.88 68.28 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.143 -0.48 . . . . 72.32 110.968 179.993 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 52' ' ' PHE . . . . . 0.452 ' N ' HD12 ' A' ' 51' ' ' LEU . 76.6 t80 -62.49 -24.14 67.31 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.18 -0.464 . . . . 72.41 110.893 179.96 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 2.0 tptm -63.8 -59.38 4.63 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.162 -0.472 . . . . 74.34 110.853 179.942 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 54' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -75.73 -32.72 60.15 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.242 -0.436 . . . . 74.45 110.882 179.956 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -52.78 -41.08 63.78 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.202 -0.454 . . . . 70.35 111.053 179.795 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 8.8 pt-20 -54.72 -26.75 35.86 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.238 -0.437 . . . . 75.34 110.869 -179.871 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 6.0 tt0 -66.25 -55.36 16.5 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.132 -0.485 . . . . 70.14 110.966 -179.992 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -78.21 -14.27 59.52 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.11 -0.496 . . . . 73.4 110.871 -179.917 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 59' ' ' LEU . . . . . 0.645 HD13 ' HB2' ' A' ' 9' ' ' ALA . 68.0 mt -87.31 -66.33 0.92 Allowed 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.239 -0.437 . . . . 72.43 110.979 179.976 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -124.45 -81.2 0.63 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.165 -0.47 . . . . 74.21 110.973 179.772 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER 177.03 -57.56 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.239 -0.437 . . . . 72.44 110.89 179.822 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 C--N 1.328 -0.36 0 CA-C-N 116.235 -0.439 . . . . 73.43 110.933 179.949 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 1' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.232 0.158 0 CA-C-O 120.811 0.339 . . . . 75.13 110.919 . . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 2' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -164.93 152.21 11.11 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.232 -0.44 . . . . 64.42 110.921 179.953 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' B' B ' 3' ' ' LYS . . . . . . . . . . . . . 9.5 mttt -179.27 -38.29 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.254 -0.43 . . . . 74.51 110.933 179.86 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 4' ' ' LEU . . . . . . . . . . . . . 4.5 mm? -90.16 -36.18 14.96 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.31 -0.405 . . . . 74.44 110.995 179.838 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 5' ' ' ARG . . . . . . . . . . . . . 3.6 mtt-85 -68.84 -38.69 80.0 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.138 -0.483 . . . . 73.42 110.879 179.9 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 6' ' ' GLU . . . . . 0.404 ' O ' ' HB3' ' B' ' 9' ' ' ALA . 0.3 OUTLIER -53.88 -32.37 53.0 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.239 -0.437 . . . . 73.31 110.874 -179.918 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' B' B ' 7' ' ' GLU . . . . . . . . . . . . . 45.8 mm-40 -54.73 -42.78 71.97 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.141 -0.482 . . . . 74.2 110.867 -179.938 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 8' ' ' ALA . . . . . . . . . . . . . . . -70.41 -26.95 63.92 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.098 -0.501 . . . . 65.23 111.049 -179.996 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 9' ' ' ALA . . . . . 0.642 ' HB2' HD13 ' B' ' 59' ' ' LEU . . . -57.8 -47.37 82.79 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.181 -0.463 . . . . 74.02 111.041 179.976 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' B' B ' 10' ' ' LYS . . . . . . . . . . . . . 21.1 mtpt -55.88 -37.32 68.68 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.267 -0.424 . . . . 72.03 110.929 179.958 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 11' ' ' LEU . . . . . . . . . . . . . 47.2 mt -51.8 -42.63 62.63 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.179 -0.464 . . . . 72.05 110.933 179.952 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 12' ' ' PHE . . . . . . . . . . . . . 23.2 m-85 -74.22 -25.61 59.77 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.19 -0.459 . . . . 72.42 110.9 179.897 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 13' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -53.87 -31.85 51.17 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.179 -0.464 . . . . 74.32 110.925 -179.931 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' B' B ' 14' ' ' GLU . . . . . 0.457 ' O ' HD12 ' B' ' 18' ' ' LEU . 7.0 mt-10 -67.19 -31.44 71.83 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.122 -0.49 . . . . 72.33 110.862 -179.93 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' B' B ' 15' ' ' TRP . . . . . 0.461 ' CD1' ' HB1' ' B' ' 44' ' ' ALA . 4.0 t90 -67.63 -47.0 70.86 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.141 -0.481 . . . . 73.43 110.942 -179.938 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' B' B ' 16' ' ' LYS . . . . . . . . . . . . . 16.1 ptmt -77.39 -30.02 53.46 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.181 -0.463 . . . . 74.41 110.845 179.964 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 17' ' ' LYS . . . . . . . . . . . . . 8.2 ttmm -74.36 -54.93 6.63 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.22 -0.445 . . . . 74.34 110.979 179.819 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 18' ' ' LEU . . . . . 0.457 HD12 ' O ' ' B' ' 14' ' ' GLU . 18.4 mt -54.65 -36.57 64.7 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.224 -0.444 . . . . 65.11 110.897 179.921 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' B' B ' 19' ' ' ALA . . . . . . . . . . . . . . . -67.02 -26.86 66.99 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.174 -0.466 . . . . 63.21 111.085 179.812 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 20' ' ' GLU . . . . . . . . . . . . . 2.1 tp10 -73.47 -49.47 26.64 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.29 -0.414 . . . . 63.14 110.902 -179.97 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 21' ' ' GLU . . . . . . . . . . . . . 21.3 mt-10 -72.64 -51.13 20.8 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.161 -0.472 . . . . 74.32 110.873 -179.886 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 22' ' ' ALA . . . . . . . . . . . . . . . -54.17 -30.79 50.71 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.141 -0.482 . . . . 53.22 111.106 179.914 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 23' ' ' ALA . . . . . . . . . . . . . . . -70.96 -54.39 11.49 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.161 -0.472 . . . . 64.42 111.128 179.949 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 24' ' ' LYS . . . . . . . . . . . . . 6.3 ptmt -63.64 -34.14 77.17 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.178 -0.465 . . . . 75.03 110.96 179.938 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 25' ' ' LEU . . . . . . . . . . . . . 5.7 mt -76.56 -39.67 52.07 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.229 -0.441 . . . . 50.22 110.903 179.933 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 26' ' ' LEU . . . . . 0.687 HD13 ' CE ' ' B' ' 38' ' ' MET . 2.1 mt -50.65 -49.91 55.88 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.222 -0.444 . . . . 72.04 110.929 179.874 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' B' B ' 27' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -90.86 12.32 19.78 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.181 -0.463 . . . . 73.13 110.865 179.91 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' B' B ' 28' ' ' GLY . . . . . . . . . . . . . . . -58.82 -15.09 25.89 Favored Glycine 0 N--CA 1.451 -0.309 0 C-N-CA 120.746 -0.74 . . . . 63.4 112.469 -179.976 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 29' ' ' GLY . . . . . . . . . . . . . . . 136.59 46.08 0.08 OUTLIER Glycine 0 N--CA 1.452 -0.28 0 C-N-CA 120.777 -0.725 . . . . 61.15 112.476 -179.892 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 30' ' ' GLY . . . . . . . . . . . . . . . -83.25 -42.82 7.78 Favored Glycine 0 N--CA 1.452 -0.271 0 C-N-CA 120.75 -0.738 . . . . 42.51 112.43 -179.905 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 31' ' ' GLY . . . . . . . . . . . . . . . 97.99 123.78 4.81 Favored Glycine 0 N--CA 1.452 -0.284 0 C-N-CA 120.766 -0.731 . . . . 75.24 112.529 -179.859 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 32' ' ' GLY . . . . . . . . . . . . . . . 147.08 -110.97 0.54 Allowed Glycine 0 N--CA 1.452 -0.27 0 C-N-CA 120.7 -0.762 . . . . 65.21 112.46 -179.898 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 33' ' ' GLY . . . . . . . . . . . . . . . -166.22 97.22 0.14 Allowed Glycine 0 N--CA 1.451 -0.359 0 C-N-CA 120.704 -0.76 . . . . 53.05 112.498 -179.886 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 34' ' ' GLY . . . . . . . . . . . . . . . -90.27 44.97 2.96 Favored Glycine 0 N--CA 1.452 -0.273 0 C-N-CA 120.726 -0.749 . . . . 74.35 112.523 -179.907 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 35' ' ' GLY . . . . . . . . . . . . . . . -79.18 -102.91 0.23 Allowed Glycine 0 N--CA 1.451 -0.337 0 C-N-CA 120.712 -0.756 . . . . 70.35 112.468 -179.845 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 36' ' ' GLU . . . . . . . . . . . . . 30.4 tt0 -75.73 -24.42 56.14 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 120.901 0.381 . . . . 63.21 110.896 -179.882 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 37' ' ' LEU . . . . . . . . . . . . . 14.6 tp -59.71 -36.67 77.01 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.092 -0.503 . . . . 74.21 110.921 -179.982 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 38' ' ' MET . . . . . 0.687 ' CE ' HD13 ' B' ' 26' ' ' LEU . 1.3 ttm -68.34 -30.0 68.87 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.141 -0.481 . . . . 72.14 110.866 179.857 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' B' B ' 39' ' ' LYS . . . . . . . . . . . . . 2.4 tttt -54.34 -29.33 47.71 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.285 -0.416 . . . . 75.32 110.916 179.926 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 40' ' ' LEU . . . . . 0.525 HD13 ' HA ' ' A' ' 51' ' ' LEU . 2.5 mt -62.08 -60.97 2.83 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.189 -0.46 . . . . 71.52 110.91 179.93 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' B' B ' 41' ' ' CYS . . . . . . . . . . . . . 28.7 p -69.35 -29.36 67.15 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.198 -0.456 . . . . 73.25 110.869 179.917 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 42' ' ' GLU . . . . . . . . . . . . . 11.3 tt0 -56.15 -25.83 47.99 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.18 -0.463 . . . . 52.34 110.807 -179.797 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 43' ' ' GLU . . . . . . . . . . . . . 2.5 mm-40 -54.81 -28.99 53.5 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.193 -0.458 . . . . 62.32 110.842 -179.862 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 44' ' ' ALA . . . . . 0.461 ' HB1' ' CD1' ' B' ' 15' ' ' TRP . . . -51.85 -45.73 64.14 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.143 -0.48 . . . . 62.35 111.098 179.909 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' B' B ' 45' ' ' ALA . . . . . . . . . . . . . . . -75.13 -22.9 57.87 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.209 -0.451 . . . . 65.0 111.104 179.955 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 46' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -75.33 -49.54 18.81 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.229 -0.441 . . . . 74.32 110.905 179.946 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' B' B ' 47' ' ' LYS . . . . . . . . . . . . . 9.4 mmtm -72.67 -46.33 54.37 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.235 -0.438 . . . . 64.51 110.912 179.858 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 48' ' ' ALA . . . . . . . . . . . . . . . -51.96 -46.18 64.67 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.233 -0.44 . . . . 71.22 111.08 179.839 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 49' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -75.88 -29.7 58.58 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.194 -0.457 . . . . 75.22 110.857 -179.933 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' B' B ' 50' ' ' GLU . . . . . . . . . . . . . 1.1 mm-40 -63.25 -51.24 67.0 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.196 -0.456 . . . . 62.13 110.883 -179.895 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 51' ' ' LEU . . . . . 0.549 ' CB ' HD13 ' A' ' 40' ' ' LEU . 3.8 pp -73.27 -38.97 65.76 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.154 -0.475 . . . . 53.52 110.89 -179.967 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' B' B ' 52' ' ' PHE . . . . . 0.437 ' N ' HD12 ' B' ' 51' ' ' LEU . 75.8 t80 -62.95 -24.06 67.69 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.977 0.418 . . . . 72.52 110.893 179.923 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' B' B ' 53' ' ' LYS . . . . . . . . . . . . . 2.0 tptm -62.24 -59.17 5.42 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.155 -0.475 . . . . 72.1 110.896 179.915 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 54' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -75.26 -37.55 60.9 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.225 -0.443 . . . . 74.43 110.928 179.933 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' B' B ' 55' ' ' ALA . . . . . . . . . . . . . . . -56.97 -38.93 73.68 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.192 -0.458 . . . . 64.14 111.038 179.828 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 56' ' ' GLU . . . . . 0.653 ' CD ' HD23 ' B' ' 62' ' ' LEU . 16.3 tt0 -56.82 -24.88 54.16 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.229 -0.441 . . . . 61.3 110.912 -179.934 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' B' B ' 57' ' ' GLU . . . . . . . . . . . . . 6.4 tt0 -66.83 -54.32 23.66 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.109 -0.496 . . . . 71.31 110.904 -179.969 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 58' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -77.29 -18.5 57.48 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.135 -0.484 . . . . 75.34 110.842 -179.897 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' B' B ' 59' ' ' LEU . . . . . 0.642 HD13 ' HB2' ' B' ' 9' ' ' ALA . 62.7 mt -82.41 -50.98 8.28 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.266 -0.425 . . . . 54.41 110.905 -179.987 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' B' B ' 60' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -110.18 -65.8 1.12 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.136 -0.484 . . . . 74.13 110.885 179.839 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' B' B ' 61' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -179.56 -69.21 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.279 -0.419 . . . . 63.55 110.916 179.859 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' B' B ' 62' ' ' LEU . . . . . 0.653 HD23 ' CD ' ' B' ' 56' ' ' GLU . 0.2 OUTLIER . . . . . 0 C--N 1.329 -0.316 0 CA-C-N 116.195 -0.457 . . . . 73.44 110.885 179.929 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 C--O 1.231 0.114 0 CA-C-O 120.931 0.396 . . . . 72.22 110.834 . . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -143.52 -70.37 0.31 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.225 -0.443 . . . . 73.43 110.943 179.836 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 4' ' ' LEU . . . . . 0.444 ' H ' HD23 ' A' ' 4' ' ' LEU . 1.6 pt? -135.77 8.15 3.28 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.212 -0.449 . . . . 64.25 110.901 179.905 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -72.01 -33.97 68.49 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.18 -0.464 . . . . 74.25 110.901 179.967 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 18.0 pt-20 -55.25 -26.02 37.17 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.18 -0.463 . . . . 73.21 110.877 -179.948 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 2.0 pp20? -53.47 -31.5 46.0 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.096 -0.502 . . . . 71.13 110.931 -179.888 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -72.45 -28.42 62.92 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.127 -0.488 . . . . 71.25 111.049 179.897 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 9' ' ' ALA . . . . . 0.619 ' HB1' ' CE1' ' A' ' 52' ' ' PHE . . . -71.57 -41.57 68.86 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.324 -0.398 . . . . 63.43 111.102 179.923 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -58.08 -35.68 71.73 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.232 -0.44 . . . . 64.31 110.891 179.962 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 11' ' ' LEU . . . . . 0.431 HD12 ' CD2' ' B' ' 26' ' ' LEU . 41.6 mt -51.97 -44.11 63.85 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.199 -0.455 . . . . 73.34 110.901 179.945 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 22.4 m-85 -74.03 -22.14 59.68 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.208 -0.451 . . . . 64.34 110.854 179.913 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 5.1 tt0 -61.61 -41.26 97.21 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.157 -0.474 . . . . 63.53 110.88 -179.936 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 14' ' ' GLU . . . . . 0.407 ' O ' HD12 ' A' ' 18' ' ' LEU . 4.6 mt-10 -75.51 -30.46 59.81 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.109 -0.496 . . . . 72.2 110.934 -179.918 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 15' ' ' TRP . . . . . 0.424 ' HZ2' ' HB3' ' B' ' 22' ' ' ALA . 21.3 m0 -54.01 -56.11 21.02 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.105 -0.498 . . . . 74.32 110.9 -179.973 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 16' ' ' LYS . . . . . 0.575 ' HB3' ' HB3' ' A' ' 48' ' ' ALA . 8.3 ptmt -68.47 -41.36 80.28 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.3 -0.409 . . . . 52.44 110.94 179.918 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -54.95 -52.07 64.17 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.215 -0.448 . . . . 50.12 110.87 179.874 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 18' ' ' LEU . . . . . 0.407 HD12 ' O ' ' A' ' 14' ' ' GLU . 5.6 mt -59.99 -35.13 74.35 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.266 -0.425 . . . . 73.44 110.953 179.937 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 19' ' ' ALA . . . . . 0.432 ' HB3' ' HB2' ' A' ' 45' ' ' ALA . . . -73.15 -30.24 63.44 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.136 -0.484 . . . . 74.52 111.055 179.82 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 1.4 mm-40 -58.1 -49.48 76.8 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.211 -0.45 . . . . 53.32 110.896 -179.899 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 1.3 mm-40 -74.23 -48.54 28.12 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.165 -0.471 . . . . 62.32 110.823 -179.898 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 22' ' ' ALA . . . . . 0.458 ' HB3' ' HZ2' ' B' ' 15' ' ' TRP . . . -56.71 -30.58 63.64 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.178 -0.464 . . . . 75.53 111.136 179.93 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -70.77 -54.41 11.79 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.217 -0.447 . . . . 74.01 111.086 179.978 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 4.2 ptmt -62.49 -35.55 79.7 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.228 -0.442 . . . . 74.15 110.861 -179.988 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 25' ' ' LEU . . . . . 0.407 HD23 ' HA ' ' A' ' 25' ' ' LEU . 7.2 mt -76.89 -36.71 56.5 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.206 -0.452 . . . . 65.41 110.834 179.988 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 26' ' ' LEU . . . . . 0.724 HD23 ' HB1' ' B' ' 8' ' ' ALA . 0.8 OUTLIER -50.24 -55.32 15.79 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.258 -0.428 . . . . 60.34 110.85 179.946 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 1.6 pt-20 -82.15 -7.82 59.63 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.273 -0.421 . . . . 72.21 110.82 -179.997 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . 54.74 24.38 32.78 Favored Glycine 0 N--CA 1.452 -0.281 0 C-N-CA 120.735 -0.745 . . . . 61.03 112.461 179.966 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . 94.32 12.59 55.94 Favored Glycine 0 N--CA 1.45 -0.407 0 C-N-CA 120.726 -0.75 . . . . 64.14 112.522 -179.884 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . -137.54 -116.11 1.45 Allowed Glycine 0 N--CA 1.451 -0.326 0 C-N-CA 120.796 -0.716 . . . . 63.12 112.524 -179.956 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . 76.62 116.48 0.14 Allowed Glycine 0 N--CA 1.452 -0.285 0 C-N-CA 120.73 -0.748 . . . . 72.14 112.483 -179.897 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . 51.87 48.48 51.11 Favored Glycine 0 N--CA 1.452 -0.291 0 C-N-CA 120.807 -0.711 . . . . 72.54 112.458 -179.916 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . 79.37 -57.51 4.42 Favored Glycine 0 N--CA 1.451 -0.335 0 C-N-CA 120.739 -0.743 . . . . 75.3 112.423 -179.955 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . -123.43 -53.52 0.2 Allowed Glycine 0 N--CA 1.451 -0.365 0 C-N-CA 120.778 -0.725 . . . . 64.42 112.467 -179.894 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 168.95 34.56 0.02 OUTLIER Glycine 0 N--CA 1.452 -0.281 0 C-N-CA 120.683 -0.77 . . . . 54.0 112.458 -179.834 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 26.2 tt0 -76.66 -27.96 55.81 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 120.848 0.356 . . . . 63.44 110.892 -179.88 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 3.4 mt -77.22 -59.04 2.94 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.179 -0.464 . . . . 63.44 110.918 179.992 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 38' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -55.07 -26.82 40.34 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.169 -0.469 . . . . 75.32 110.921 179.793 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -57.11 -28.16 62.43 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.191 -0.458 . . . . 74.23 110.906 179.923 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 3.3 mt -74.37 -43.53 56.1 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 116.223 -0.444 . . . . 71.21 110.889 179.923 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 41' ' ' CYS . . . . . . . . . . . . . 17.9 m -75.02 -27.96 60.29 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.224 -0.444 . . . . 71.54 110.884 179.917 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 70.5 tt0 -55.57 -25.51 38.43 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.15 -0.477 . . . . 62.21 110.934 -179.877 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 3.7 mm-40 -54.58 -28.6 47.26 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.122 -0.49 . . . . 75.2 110.872 -179.972 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -52.03 -44.93 64.44 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.187 -0.46 . . . . 70.01 111.113 179.908 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 45' ' ' ALA . . . . . 0.432 ' HB2' ' HB3' ' A' ' 19' ' ' ALA . . . -75.25 -24.64 57.67 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.239 -0.437 . . . . 73.03 111.114 179.914 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -73.94 -48.44 30.56 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.228 -0.442 . . . . 75.51 110.892 179.996 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 4.8 mttm -57.26 -36.76 71.37 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.159 -0.473 . . . . 72.22 110.9 179.909 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 48' ' ' ALA . . . . . 0.575 ' HB3' ' HB3' ' A' ' 16' ' ' LYS . . . -58.44 -36.73 74.11 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.207 -0.451 . . . . 72.43 111.129 179.794 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 17.2 tt0 -76.88 -36.19 56.91 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.31 -0.404 . . . . 73.2 110.901 -179.985 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 1.8 mm-40 -69.44 -45.28 69.51 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.097 -0.501 . . . . 75.05 110.901 -179.885 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 51' ' ' LEU . . . . . 0.487 HD13 ' HB3' ' B' ' 41' ' ' CYS . 4.5 pp -72.39 -23.73 61.15 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.18 -0.464 . . . . 73.02 110.945 179.95 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 52' ' ' PHE . . . . . 0.619 ' CE1' ' HB1' ' A' ' 9' ' ' ALA . 90.1 t80 -56.44 -23.93 41.97 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.235 -0.438 . . . . 75.21 110.869 179.945 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -52.2 -42.82 63.82 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.174 -0.467 . . . . 63.52 110.904 179.926 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 54' ' ' LEU . . . . . . . . . . . . . 62.5 mt -64.17 -29.03 70.17 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.199 -0.455 . . . . 75.24 110.854 179.983 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 55' ' ' ALA . . . . . 0.534 ' HB1' ' HB2' ' A' ' 9' ' ' ALA . . . -55.39 -29.12 57.89 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.239 -0.437 . . . . 34.11 111.102 179.786 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 3.9 mt-10 -77.66 -24.74 49.34 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.255 -0.43 . . . . 75.55 110.846 -179.861 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 25.8 mm-40 -63.28 -47.63 81.54 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.179 -0.464 . . . . 72.43 110.812 -179.924 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 58' ' ' ARG . . . . . 0.4 ' HD2' ' HA ' ' A' ' 55' ' ' ALA . 0.0 OUTLIER -79.05 -22.19 45.72 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.173 -0.467 . . . . 72.42 110.877 -179.892 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 59' ' ' LEU . . . . . . . . . . . . . 2.0 tt -84.15 -69.02 0.67 Allowed 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.236 -0.438 . . . . 74.24 110.926 -179.998 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -112.73 -175.98 2.8 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.172 -0.467 . . . . 74.12 110.936 179.827 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 1.9 pttt -91.35 -31.04 16.22 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.289 -0.414 . . . . 75.14 110.902 179.862 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER . . . . . 0 C--N 1.328 -0.343 0 CA-C-N 116.228 -0.442 . . . . 71.13 110.905 179.92 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 1' ' ' MET . . . . . . . . . . . . . 4.1 mtt . . . . . 0 C--O 1.231 0.122 0 CA-C-O 120.83 0.348 . . . . 63.32 110.911 . . . . . . . . . 0 0 . 1 . 011 nuclear build core ' B' B ' 2' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -123.18 143.47 50.0 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.199 -0.455 . . . . 70.02 110.943 179.922 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' B' B ' 3' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -142.45 -70.84 0.33 Allowed 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.231 -0.441 . . . . 71.31 110.917 179.84 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' B' B ' 4' ' ' LEU . . . . . 0.449 ' H ' HD23 ' B' ' 4' ' ' LEU . 1.7 pt? -134.82 7.38 3.48 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.294 -0.412 . . . . 65.53 110.907 179.909 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' B' B ' 5' ' ' ARG . . . . . . . . . . . . . 2.5 mtt-85 -70.45 -31.93 69.3 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.175 -0.466 . . . . 74.53 110.896 179.959 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 6' ' ' GLU . . . . . . . . . . . . . 19.9 pt-20 -51.8 -26.62 10.13 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.125 -0.488 . . . . 65.54 110.892 -179.936 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 7' ' ' GLU . . . . . . . . . . . . . 2.5 pp20? -53.14 -33.37 52.12 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.162 -0.472 . . . . 61.41 110.853 -179.936 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 8' ' ' ALA . . . . . 0.724 ' HB1' HD23 ' A' ' 26' ' ' LEU . . . -76.7 -26.92 55.23 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.149 -0.478 . . . . 72.42 111.144 179.902 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' B' B ' 9' ' ' ALA . . . . . 0.985 ' HB2' HD13 ' B' ' 59' ' ' LEU . . . -60.69 -44.23 96.77 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.224 -0.444 . . . . 73.1 111.096 179.911 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' B' B ' 10' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -55.64 -37.03 67.66 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.238 -0.437 . . . . 72.42 110.909 179.986 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' B' B ' 11' ' ' LEU . . . . . 0.466 HD12 ' HG ' ' A' ' 26' ' ' LEU . 25.4 mt -52.75 -42.83 65.32 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.181 -0.463 . . . . 73.34 110.867 179.925 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' B' B ' 12' ' ' PHE . . . . . 0.418 ' CE1' HD11 ' A' ' 26' ' ' LEU . 24.5 m-85 -71.99 -23.53 61.43 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.232 -0.44 . . . . 72.24 110.916 179.952 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' B' B ' 13' ' ' GLU . . . . . . . . . . . . . 5.1 tt0 -60.93 -40.38 93.02 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.104 -0.498 . . . . 62.44 110.882 -179.958 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 14' ' ' GLU . . . . . . . . . . . . . 4.6 mt-10 -75.62 -31.49 59.91 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.139 -0.482 . . . . 62.31 110.928 -179.927 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 15' ' ' TRP . . . . . 0.458 ' HZ2' ' HB3' ' A' ' 22' ' ' ALA . 18.1 m0 -54.0 -56.06 21.41 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.082 -0.508 . . . . 74.03 110.871 -179.897 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' B' B ' 16' ' ' LYS . . . . . . . . . . . . . 8.3 ptmt -67.71 -39.75 84.33 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.307 -0.406 . . . . 70.11 110.93 179.885 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 17' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -56.54 -50.55 71.53 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.244 -0.435 . . . . 73.32 110.838 179.933 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' B' B ' 18' ' ' LEU . . . . . . . . . . . . . 5.4 mt -56.09 -38.28 70.5 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.249 -0.432 . . . . 72.13 110.945 179.894 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 19' ' ' ALA . . . . . 0.652 ' CB ' ' HB2' ' B' ' 45' ' ' ALA . . . -73.1 -32.33 64.9 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.256 -0.429 . . . . 53.04 111.118 179.755 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' B' B ' 20' ' ' GLU . . . . . . . . . . . . . 1.4 mm-40 -58.12 -49.31 77.42 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.223 -0.444 . . . . 73.32 110.883 -179.968 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 21' ' ' GLU . . . . . . . . . . . . . 1.3 mm-40 -74.23 -48.64 27.53 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.122 -0.49 . . . . 63.22 110.853 -179.851 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 22' ' ' ALA . . . . . 0.429 ' O ' HD12 ' B' ' 26' ' ' LEU . . . -56.57 -30.94 63.73 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.173 -0.467 . . . . 73.31 111.153 179.872 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' B' B ' 23' ' ' ALA . . . . . . . . . . . . . . . -71.19 -54.44 10.98 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.161 -0.472 . . . . 73.55 111.043 179.978 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 24' ' ' LYS . . . . . . . . . . . . . 4.3 ptmt -62.17 -35.42 78.77 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.258 -0.428 . . . . 42.33 110.869 -179.989 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 25' ' ' LEU . . . . . 0.421 HD23 ' HA ' ' B' ' 25' ' ' LEU . 6.9 mt -76.82 -38.15 54.42 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.267 -0.424 . . . . 74.41 110.912 179.965 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' B' B ' 26' ' ' LEU . . . . . 0.483 HD13 ' HG3' ' B' ' 38' ' ' MET . 1.0 OUTLIER -50.18 -51.61 42.42 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.231 -0.44 . . . . 72.51 110.886 179.845 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' B' B ' 27' ' ' GLU . . . . . . . . . . . . . 1.6 pt-20 -81.31 -13.94 57.87 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.241 -0.436 . . . . 73.23 110.867 179.951 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 28' ' ' GLY . . . . . . . . . . . . . . . 53.14 26.15 27.3 Favored Glycine 0 N--CA 1.45 -0.376 0 C-N-CA 120.789 -0.72 . . . . 62.34 112.44 179.998 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 29' ' ' GLY . . . . . . . . . . . . . . . 92.23 42.24 4.67 Favored Glycine 0 N--CA 1.452 -0.288 0 C-N-CA 120.71 -0.757 . . . . 62.15 112.429 -179.978 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 30' ' ' GLY . . . . . . . . . . . . . . . -105.84 -110.4 3.49 Favored Glycine 0 N--CA 1.452 -0.281 0 C-N-CA 120.688 -0.767 . . . . 44.14 112.457 -179.904 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 31' ' ' GLY . . . . . . . . . . . . . . . 89.08 131.86 4.25 Favored Glycine 0 N--CA 1.452 -0.291 0 C-N-CA 120.76 -0.733 . . . . 53.11 112.44 -179.891 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 32' ' ' GLY . . . . . . . . . . . . . . . 63.19 76.37 0.28 Allowed Glycine 0 N--CA 1.452 -0.276 0 C-N-CA 120.705 -0.76 . . . . 72.42 112.453 -179.96 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 33' ' ' GLY . . . . . . . . . . . . . . . 99.74 -35.23 4.88 Favored Glycine 0 N--CA 1.451 -0.347 0 C-N-CA 120.773 -0.727 . . . . 63.53 112.56 -179.934 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 34' ' ' GLY . . . . . . . . . . . . . . . -105.98 -18.97 10.62 Favored Glycine 0 N--CA 1.451 -0.308 0 C-N-CA 120.738 -0.744 . . . . 61.13 112.436 -179.923 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 35' ' ' GLY . . . . . . . . . . . . . . . -160.22 25.41 0.3 Allowed Glycine 0 N--CA 1.451 -0.33 0 C-N-CA 120.662 -0.78 . . . . 73.42 112.434 -179.923 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 36' ' ' GLU . . . . . . . . . . . . . 21.4 tt0 -76.15 -21.46 56.55 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 120.872 0.368 . . . . 75.14 110.9 -179.895 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 37' ' ' LEU . . . . . . . . . . . . . 1.6 mt -71.45 -51.57 23.12 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.137 -0.483 . . . . 64.35 110.944 179.932 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 38' ' ' MET . . . . . 0.483 ' HG3' HD13 ' B' ' 26' ' ' LEU . 0.0 OUTLIER -54.97 -24.6 24.78 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.19 -0.459 . . . . 74.33 110.839 179.848 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' B' B ' 39' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -53.42 -28.81 31.85 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.273 -0.421 . . . . 71.24 110.882 179.982 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' B' B ' 40' ' ' LEU . . . . . . . . . . . . . 3.3 mt -74.08 -35.53 64.23 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.182 -0.463 . . . . 71.01 110.842 -179.994 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 41' ' ' CYS . . . . . 0.487 ' HB3' HD13 ' A' ' 51' ' ' LEU . 16.4 m -75.2 -33.6 61.43 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.212 -0.449 . . . . 61.21 110.832 -179.984 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' B' B ' 42' ' ' GLU . . . . . . . . . . . . . 70.5 tt0 -55.52 -25.94 40.25 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.24 -0.436 . . . . 65.25 110.871 -179.896 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 43' ' ' GLU . . . . . . . . . . . . . 3.8 mm-40 -54.96 -25.64 31.02 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.192 -0.458 . . . . 72.21 110.866 -179.938 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 44' ' ' ALA . . . . . . . . . . . . . . . -51.87 -43.66 63.38 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.146 -0.479 . . . . 55.34 111.119 179.971 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 45' ' ' ALA . . . . . 0.652 ' HB2' ' CB ' ' B' ' 19' ' ' ALA . . . -75.09 -22.89 57.99 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.263 -0.426 . . . . 64.43 111.055 179.95 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' B' B ' 46' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -70.19 -47.19 62.59 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.231 -0.441 . . . . 72.31 110.905 179.941 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' B' B ' 47' ' ' LYS . . . . . . . . . . . . . 4.8 mttm -58.28 -37.31 74.74 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.227 -0.442 . . . . 62.02 110.911 179.912 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 48' ' ' ALA . . . . . . . . . . . . . . . -56.53 -34.16 66.76 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.229 -0.442 . . . . 50.32 111.107 179.796 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 49' ' ' GLU . . . . . . . . . . . . . 17.2 tt0 -76.36 -31.33 58.0 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.167 -0.469 . . . . 71.21 110.897 -179.948 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 50' ' ' GLU . . . . . . . . . . . . . 1.8 mm-40 -65.56 -46.46 79.4 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.188 -0.46 . . . . 73.33 110.955 -179.968 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 51' ' ' LEU . . . . . 0.528 HD12 ' N ' ' B' ' 52' ' ' PHE . 4.6 pp -73.07 -29.81 63.22 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.081 -0.509 . . . . 53.11 110.912 179.982 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' B' B ' 52' ' ' PHE . . . . . 0.528 ' N ' HD12 ' B' ' 51' ' ' LEU . 89.1 t80 -65.2 -23.9 67.21 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.222 -0.444 . . . . 64.31 110.855 179.987 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' B' B ' 53' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -51.66 -58.83 5.25 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.136 -0.484 . . . . 74.13 110.933 179.959 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' B' B ' 54' ' ' LEU . . . . . . . . . . . . . 70.4 mt -75.11 -24.41 58.08 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.166 -0.47 . . . . 73.23 110.873 179.934 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 55' ' ' ALA . . . . . . . . . . . . . . . -58.04 -24.86 60.05 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.297 -0.411 . . . . 52.24 111.106 179.805 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 56' ' ' GLU . . . . . . . . . . . . . 3.3 mt-10 -75.81 -26.41 57.23 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.145 -0.479 . . . . 74.44 110.909 -179.969 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 57' ' ' GLU . . . . . . . . . . . . . 25.4 mm-40 -65.12 -49.65 69.12 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.154 -0.475 . . . . 75.22 110.936 -179.923 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 58' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -78.9 -17.94 54.7 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.226 -0.443 . . . . 53.22 110.834 -179.918 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' B' B ' 59' ' ' LEU . . . . . 0.985 HD13 ' HB2' ' B' ' 9' ' ' ALA . 20.5 mt -88.5 -74.99 0.44 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.177 -0.465 . . . . 74.51 110.947 -179.941 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' B' B ' 60' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -105.35 -175.41 2.79 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.158 -0.473 . . . . 74.21 110.908 179.795 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' B' B ' 61' ' ' LYS . . . . . . . . . . . . . 1.9 pttt -90.04 -31.42 17.18 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.24 -0.436 . . . . 72.24 110.877 179.853 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 62' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER . . . . . 0 C--N 1.328 -0.339 0 CA-C-N 116.267 -0.424 . . . . 64.42 110.827 179.885 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 3.3 tptt . . . . . 0 C--O 1.23 0.076 0 CA-C-O 120.872 0.368 . . . . 75.02 110.924 . . . . . . . . . 0 0 . 1 . 012 nuclear build core ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 7.4 mttp -140.57 -40.72 0.41 Allowed 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.17 -0.468 . . . . 74.04 110.951 179.881 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 4.4 mm? -64.92 -47.28 78.31 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.194 -0.457 . . . . 75.13 110.877 179.921 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 3.8 mtp180 -72.2 -40.7 67.65 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.202 -0.453 . . . . 74.44 110.865 179.963 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 6' ' ' GLU . . . . . 0.533 ' CA ' HD13 ' A' ' 59' ' ' LEU . 5.0 tt0 -54.27 -29.39 46.91 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.177 -0.465 . . . . 64.33 110.901 -179.911 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 1.2 mm-40 -53.86 -45.97 71.12 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.081 -0.509 . . . . 70.03 110.86 -179.915 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -58.76 -28.23 65.7 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.141 -0.481 . . . . 75.43 111.112 179.948 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -74.25 -42.78 59.13 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.204 -0.453 . . . . 70.43 111.138 179.915 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 7.1 mtpt -58.3 -32.86 68.86 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.187 -0.46 . . . . 64.33 110.898 179.914 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 11' ' ' LEU . . . . . 0.41 HD12 HD23 ' B' ' 26' ' ' LEU . 72.9 mt -52.04 -43.32 63.69 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.227 -0.442 . . . . 71.31 110.923 179.937 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 12' ' ' PHE . . . . . 0.594 ' CE1' HD11 ' B' ' 26' ' ' LEU . 24.5 m-85 -74.19 -26.28 60.18 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.19 -0.459 . . . . 71.13 110.894 179.916 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 1.1 tt0 -59.51 -35.3 73.89 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.108 -0.496 . . . . 50.01 110.911 -179.957 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 4.9 mt-10 -74.93 -30.23 61.19 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.092 -0.504 . . . . 74.04 110.897 -179.906 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 15' ' ' TRP . . . . . . . . . . . . . 12.4 m0 -61.95 -50.73 70.96 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.154 -0.476 . . . . 73.32 110.882 -179.918 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -75.06 -24.73 58.26 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.198 -0.455 . . . . 73.04 110.918 179.903 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 8.5 mmtp -73.12 -56.77 4.66 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.242 -0.435 . . . . 62.21 110.859 179.917 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 12.1 mt -54.91 -39.45 68.79 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.237 -0.438 . . . . 75.14 110.891 179.95 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 19' ' ' ALA . . . . . 0.894 ' HB3' ' HB2' ' A' ' 45' ' ' ALA . . . -57.47 -23.18 48.33 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.174 -0.466 . . . . 74.51 111.107 179.784 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -73.19 -49.3 28.81 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.245 -0.434 . . . . 63.02 110.869 -179.896 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 1.4 mm-40 -73.53 -50.23 22.46 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.204 -0.453 . . . . 61.32 110.867 -179.918 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -54.85 -30.52 57.82 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.163 -0.471 . . . . 73.33 111.09 179.957 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -71.0 -54.22 12.0 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.2 -0.454 . . . . 73.22 111.103 179.944 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 4.9 ptpt -63.67 -34.29 77.53 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.237 -0.438 . . . . 74.34 110.919 179.976 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 25' ' ' LEU . . . . . 0.438 HD23 ' HA ' ' A' ' 25' ' ' LEU . 5.9 mt -76.66 -38.92 53.75 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.24 -0.436 . . . . 74.14 110.886 179.949 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 26' ' ' LEU . . . . . 0.568 HD11 ' CE1' ' B' ' 12' ' ' PHE . 4.9 mt -50.43 -51.91 42.43 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.174 -0.467 . . . . 74.4 110.939 179.854 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 9.6 mt-10 -78.99 -11.79 60.02 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.148 -0.478 . . . . 70.52 110.899 179.94 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . 64.29 20.58 65.43 Favored Glycine 0 N--CA 1.452 -0.283 0 C-N-CA 120.746 -0.74 . . . . 51.31 112.51 -179.933 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . 61.0 19.47 56.75 Favored Glycine 0 N--CA 1.452 -0.274 0 C-N-CA 120.718 -0.753 . . . . 75.31 112.513 -179.913 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . 141.62 55.45 0.04 OUTLIER Glycine 0 N--CA 1.452 -0.285 0 C-N-CA 120.787 -0.721 . . . . 61.24 112.497 -179.951 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . -156.24 175.61 33.88 Favored Glycine 0 N--CA 1.45 -0.381 0 C-N-CA 120.743 -0.742 . . . . 54.31 112.518 -179.907 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . 52.18 -152.53 6.61 Favored Glycine 0 N--CA 1.451 -0.31 0 C-N-CA 120.706 -0.759 . . . . 72.33 112.469 -179.975 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -64.2 -65.99 2.73 Favored Glycine 0 N--CA 1.451 -0.343 0 C-N-CA 120.764 -0.731 . . . . 32.32 112.546 -179.963 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 66.16 149.71 0.1 OUTLIER Glycine 0 N--CA 1.452 -0.28 0 C-N-CA 120.734 -0.746 . . . . 43.2 112.448 -179.936 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 129.31 -155.75 20.95 Favored Glycine 0 N--CA 1.451 -0.331 0 C-N-CA 120.697 -0.763 . . . . 21.23 112.476 -179.945 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 30.3 tt0 -64.34 -29.74 70.81 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.898 0.38 . . . . 73.52 110.86 -179.904 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 37' ' ' LEU . . . . . 0.541 HD13 HH12 ' B' ' 58' ' ' ARG . 2.1 pp -51.94 -35.4 45.79 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.138 -0.483 . . . . 72.21 110.922 -179.974 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 38' ' ' MET . . . . . . . . . . . . . 2.6 ttp -73.13 -35.2 66.48 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.173 -0.467 . . . . 73.22 110.883 179.903 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 29.4 tttt -53.9 -30.58 46.72 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.18 -0.463 . . . . 50.41 110.89 179.921 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -53.79 -57.7 9.91 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.235 -0.438 . . . . 73.11 110.891 179.932 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 41' ' ' CYS . . . . . . . . . . . . . 31.7 m -64.29 -35.21 80.12 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.245 -0.434 . . . . 75.11 110.879 179.917 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 28.7 tt0 -55.65 -26.28 43.64 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 116.224 -0.444 . . . . 74.11 110.927 -179.894 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 3.5 mm-40 -55.5 -26.16 41.25 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.097 -0.502 . . . . 65.04 110.892 -179.877 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -52.84 -45.51 67.37 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.188 -0.46 . . . . 51.01 111.101 179.95 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 45' ' ' ALA . . . . . 0.894 ' HB2' ' HB3' ' A' ' 19' ' ' ALA . . . -75.27 -23.12 57.39 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.254 -0.43 . . . . 53.3 111.096 179.965 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -74.93 -48.57 23.84 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.163 -0.472 . . . . 74.25 110.943 179.903 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 13.5 mttt -73.91 -51.28 16.64 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.212 -0.449 . . . . 71.34 110.873 179.884 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -52.55 -28.41 20.68 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.279 -0.419 . . . . 74.01 111.119 179.804 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 1.6 tt0 -77.19 -36.19 55.13 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.224 -0.444 . . . . 73.52 110.888 -179.93 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 2.5 mt-10 -74.78 -52.78 10.55 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.18 -0.464 . . . . 72.04 110.903 -179.971 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 51' ' ' LEU . . . . . 0.425 ' C ' HD12 ' A' ' 51' ' ' LEU . 4.6 pp -61.69 -19.54 62.46 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.116 -0.493 . . . . 71.1 110.855 -179.947 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 52' ' ' PHE . . . . . . . . . . . . . 18.7 t80 -52.35 -23.58 6.14 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.204 -0.453 . . . . 72.0 110.867 179.989 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 1.2 ptpm? -52.82 -40.16 63.06 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.213 -0.449 . . . . 72.21 110.923 179.963 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 54' ' ' LEU . . . . . . . . . . . . . 4.9 tp -55.52 -22.05 19.57 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.219 -0.446 . . . . 72.12 110.85 179.962 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -68.03 -24.64 65.12 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.247 -0.433 . . . . 65.24 111.156 179.783 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 56' ' ' GLU . . . . . 0.528 ' OE1' HD11 ' A' ' 62' ' ' LEU . 1.3 mt-10 -76.43 -27.07 56.1 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.197 -0.456 . . . . 64.42 110.836 -179.926 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 3.9 mm-40 -62.84 -49.66 74.03 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.195 -0.457 . . . . 70.42 110.883 -179.934 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 58' ' ' ARG . . . . . 0.548 HH12 HD13 ' B' ' 37' ' ' LEU . 0.0 OUTLIER -78.88 -18.9 53.16 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.192 -0.458 . . . . 74.45 110.833 -179.862 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 59' ' ' LEU . . . . . 0.533 HD13 ' CA ' ' A' ' 6' ' ' GLU . 23.5 tp -87.77 -77.54 0.34 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.154 -0.476 . . . . 70.25 110.956 179.944 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -101.12 -175.35 2.85 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.183 -0.462 . . . . 73.35 110.957 179.792 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -120.42 69.28 0.86 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.238 -0.437 . . . . 74.45 110.865 179.865 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 62' ' ' LEU . . . . . 0.528 HD11 ' OE1' ' A' ' 56' ' ' GLU . 71.5 mt . . . . . 0 C--N 1.328 -0.33 0 CA-C-N 116.286 -0.415 . . . . 71.04 110.948 179.887 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 1' ' ' MET . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 C--O 1.231 0.108 0 CA-C-O 120.838 0.352 . . . . 75.3 110.884 . . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 2' ' ' LYS . . . . . 0.625 ' HD3' HD11 ' B' ' 59' ' ' LEU . 0.0 OUTLIER -173.23 149.11 1.74 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.183 -0.462 . . . . 61.03 110.874 179.882 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' B' B ' 3' ' ' LYS . . . . . . . . . . . . . 7.7 mttp -171.65 -50.68 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.187 -0.46 . . . . 74.1 110.86 179.863 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 4' ' ' LEU . . . . . . . . . . . . . 4.2 mm? -94.45 -23.11 17.87 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.253 -0.43 . . . . 65.2 110.909 179.966 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 5' ' ' ARG . . . . . . . . . . . . . 3.1 mtp180 -65.41 -40.6 93.58 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.194 -0.457 . . . . 71.43 110.87 179.934 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 6' ' ' GLU . . . . . 0.585 ' CA ' HD13 ' B' ' 59' ' ' LEU . 4.9 tt0 -56.95 -33.05 66.63 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.13 -0.487 . . . . 65.24 110.91 -179.893 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' B' B ' 7' ' ' GLU . . . . . . . . . . . . . 1.2 mm-40 -53.96 -45.3 71.28 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.185 -0.461 . . . . 74.43 110.867 -179.96 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 8' ' ' ALA . . . . . . . . . . . . . . . -58.5 -27.14 64.19 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.169 -0.468 . . . . 71.33 111.07 179.969 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 9' ' ' ALA . . . . . . . . . . . . . . . -74.2 -42.58 59.58 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.248 -0.433 . . . . 62.31 111.114 179.929 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 10' ' ' LYS . . . . . . . . . . . . . 6.9 mtpt -60.3 -32.38 71.16 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.244 -0.434 . . . . 75.33 110.859 -179.994 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 11' ' ' LEU . . . . . . . . . . . . . 78.3 mt -51.88 -44.02 63.54 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.265 -0.425 . . . . 62.13 110.898 179.904 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 12' ' ' PHE . . . . . 0.568 ' CE1' HD11 ' A' ' 26' ' ' LEU . 23.7 m-85 -74.13 -26.0 60.08 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.193 -0.458 . . . . 73.11 110.883 179.959 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' B' B ' 13' ' ' GLU . . . . . . . . . . . . . 1.1 tt0 -59.45 -35.22 73.64 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.171 -0.468 . . . . 73.52 110.886 -179.93 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 14' ' ' GLU . . . . . . . . . . . . . 4.9 mt-10 -74.98 -30.23 61.12 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.13 -0.486 . . . . 61.01 110.899 -179.938 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 15' ' ' TRP . . . . . . . . . . . . . 12.2 m0 -61.75 -50.55 71.93 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 116.13 -0.487 . . . . 73.15 110.909 -179.979 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 16' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -75.57 -24.56 56.65 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.211 -0.449 . . . . 70.05 110.918 179.9 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' B' B ' 17' ' ' LYS . . . . . . . . . . . . . 8.6 mmtp -73.09 -56.56 4.94 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.247 -0.433 . . . . 75.41 110.909 179.821 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 18' ' ' LEU . . . . . . . . . . . . . 12.2 mt -54.77 -39.66 68.61 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.22 -0.446 . . . . 75.01 110.889 179.886 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 19' ' ' ALA . . . . . 0.92 ' HB3' ' HB2' ' B' ' 45' ' ' ALA . . . -57.62 -23.46 51.2 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.233 -0.44 . . . . 64.13 111.126 179.783 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' B' B ' 20' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -73.25 -49.44 27.75 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.211 -0.449 . . . . 74.21 110.91 -179.945 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' B' B ' 21' ' ' GLU . . . . . . . . . . . . . 1.4 mm-40 -73.6 -50.15 22.6 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.119 -0.491 . . . . 72.52 110.844 -179.88 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 22' ' ' ALA . . . . . . . . . . . . . . . -54.87 -30.38 57.73 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.182 -0.463 . . . . 63.24 111.111 179.946 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 23' ' ' ALA . . . . . . . . . . . . . . . -71.04 -54.32 11.6 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.211 -0.449 . . . . 51.3 111.049 179.899 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 24' ' ' LYS . . . . . . . . . . . . . 4.8 ptpt -63.6 -34.37 77.66 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.24 -0.436 . . . . 75.4 110.858 -179.972 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 25' ' ' LEU . . . . . . . . . . . . . 5.8 mt -76.61 -38.98 53.87 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.195 -0.457 . . . . 74.33 110.932 179.956 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 26' ' ' LEU . . . . . 0.594 HD11 ' CE1' ' A' ' 12' ' ' PHE . 4.9 mt -50.55 -51.8 44.71 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.198 -0.456 . . . . 72.23 110.893 179.891 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' B' B ' 27' ' ' GLU . . . . . . . . . . . . . 9.5 mt-10 -78.94 -11.82 60.01 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.229 -0.441 . . . . 63.31 110.88 179.904 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 28' ' ' GLY . . . . . . . . . . . . . . . 64.1 20.56 65.0 Favored Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.761 -0.733 . . . . 62.0 112.498 -179.96 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 29' ' ' GLY . . . . . . . . . . . . . . . 61.04 19.54 56.91 Favored Glycine 0 N--CA 1.45 -0.387 0 C-N-CA 120.774 -0.727 . . . . 73.05 112.528 -179.887 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 30' ' ' GLY . . . . . . . . . . . . . . . 141.62 55.33 0.04 OUTLIER Glycine 0 N--CA 1.45 -0.368 0 C-N-CA 120.82 -0.705 . . . . 51.32 112.538 -179.89 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 31' ' ' GLY . . . . . . . . . . . . . . . -156.41 175.55 34.03 Favored Glycine 0 N--CA 1.451 -0.325 0 C-N-CA 120.78 -0.724 . . . . 75.1 112.563 -179.925 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 32' ' ' GLY . . . . . . . . . . . . . . . 52.23 -152.43 6.77 Favored Glycine 0 N--CA 1.451 -0.343 0 C-N-CA 120.706 -0.759 . . . . 54.04 112.564 -179.849 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 33' ' ' GLY . . . . . . . . . . . . . . . -64.35 -65.92 2.75 Favored Glycine 0 N--CA 1.452 -0.275 0 C-N-CA 120.749 -0.739 . . . . 52.33 112.485 -179.986 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 34' ' ' GLY . . . . . . . . . . . . . . . 66.16 149.84 0.1 Allowed Glycine 0 N--CA 1.45 -0.38 0 C-N-CA 120.832 -0.699 . . . . 34.43 112.507 -179.888 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 35' ' ' GLY . . . . . . . . . . . . . . . 129.09 -155.87 20.94 Favored Glycine 0 N--CA 1.451 -0.315 0 C-N-CA 120.793 -0.718 . . . . 71.15 112.463 -179.899 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 36' ' ' GLU . . . . . . . . . . . . . 30.1 tt0 -64.23 -29.77 70.85 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.874 0.369 . . . . 74.32 110.872 -179.895 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 37' ' ' LEU . . . . . 0.548 HD13 HH12 ' A' ' 58' ' ' ARG . 2.2 pp -51.91 -35.4 45.39 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.181 -0.463 . . . . 74.12 110.863 -179.902 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' B' B ' 38' ' ' MET . . . . . . . . . . . . . 2.5 ttp -73.07 -35.44 66.67 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.219 -0.446 . . . . 72.12 110.939 179.782 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 39' ' ' LYS . . . . . . . . . . . . . 29.4 tttt -53.84 -30.88 47.27 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.191 -0.459 . . . . 72.21 110.866 179.969 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 40' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -53.82 -57.65 10.14 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.262 -0.426 . . . . 63.34 110.902 179.926 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' B' B ' 41' ' ' CYS . . . . . . . . . . . . . 31.0 m -64.31 -34.55 78.39 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.242 -0.435 . . . . 55.33 110.926 179.879 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 42' ' ' GLU . . . . . . . . . . . . . 28.5 tt0 -56.3 -26.03 50.66 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.175 -0.466 . . . . 70.12 110.873 -179.86 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 43' ' ' GLU . . . . . . . . . . . . . 3.5 mm-40 -55.31 -25.94 37.53 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.131 -0.486 . . . . 71.04 110.901 -179.958 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 44' ' ' ALA . . . . . . . . . . . . . . . -52.79 -45.76 67.32 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.169 -0.469 . . . . 54.33 111.069 179.884 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 45' ' ' ALA . . . . . 0.92 ' HB2' ' HB3' ' B' ' 19' ' ' ALA . . . -75.08 -22.85 58.04 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.218 -0.446 . . . . 72.33 111.055 -180.0 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' B' B ' 46' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -75.36 -48.85 21.11 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.26 -0.427 . . . . 74.34 110.942 179.956 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' B' B ' 47' ' ' LYS . . . . . . . . . . . . . 13.9 mttt -73.74 -51.69 15.68 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.153 -0.476 . . . . 64.3 110.927 179.78 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 48' ' ' ALA . . . . . . . . . . . . . . . -52.66 -28.27 20.86 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.228 -0.442 . . . . 74.02 111.093 179.841 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 49' ' ' GLU . . . . . . . . . . . . . 1.6 tt0 -77.19 -36.85 54.64 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.187 -0.46 . . . . 74.25 110.826 -179.877 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 50' ' ' GLU . . . . . . . . . . . . . 2.5 mt-10 -74.74 -52.85 10.41 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.198 -0.456 . . . . 71.53 110.904 -179.943 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 51' ' ' LEU . . . . . 0.423 HD12 ' C ' ' B' ' 51' ' ' LEU . 4.6 pp -61.71 -19.62 62.6 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.22 -0.445 . . . . 73.32 110.917 179.985 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' B' B ' 52' ' ' PHE . . . . . . . . . . . . . 18.6 t80 -52.23 -23.63 5.95 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.202 -0.454 . . . . 71.14 110.875 179.893 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 53' ' ' LYS . . . . . . . . . . . . . 1.2 ptpm? -52.64 -40.43 62.79 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.176 -0.465 . . . . 62.3 110.923 179.946 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 54' ' ' LEU . . . . . . . . . . . . . 4.9 tp -55.44 -22.02 18.59 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.181 -0.463 . . . . 65.24 110.921 179.928 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 55' ' ' ALA . . . . . . . . . . . . . . . -68.14 -24.71 65.03 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.162 -0.472 . . . . 74.42 111.068 179.781 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 56' ' ' GLU . . . . . 0.546 ' OE1' HD11 ' B' ' 62' ' ' LEU . 1.3 mt-10 -76.36 -26.96 56.23 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.232 -0.44 . . . . 73.4 110.869 -179.868 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' B' B ' 57' ' ' GLU . . . . . . . . . . . . . 3.9 mm-40 -63.05 -49.69 73.56 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.136 -0.484 . . . . 65.53 110.914 -179.927 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 58' ' ' ARG . . . . . 0.541 HH12 HD13 ' A' ' 37' ' ' LEU . 0.0 OUTLIER -78.72 -18.84 53.67 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.106 -0.497 . . . . 74.44 110.854 -179.91 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' B' B ' 59' ' ' LEU . . . . . 0.625 HD11 ' HD3' ' B' ' 2' ' ' LYS . 20.3 tp -87.97 -77.57 0.35 Allowed 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.215 -0.448 . . . . 62.55 110.934 -179.936 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' B' B ' 60' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -101.15 -175.28 2.82 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.254 -0.43 . . . . 72.41 110.911 179.779 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' B' B ' 61' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -119.95 69.07 0.84 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.243 -0.435 . . . . 75.25 110.954 179.862 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' B' B ' 62' ' ' LEU . . . . . 0.546 HD11 ' OE1' ' B' ' 56' ' ' GLU . 71.6 mt . . . . . 0 C--N 1.329 -0.285 0 CA-C-N 116.168 -0.469 . . . . 74.44 110.977 179.954 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 15.3 ptmt . . . . . 0 C--O 1.231 0.12 0 CA-C-O 120.839 0.352 . . . . 71.2 110.854 . . . . . . . . . 0 0 . 1 . 013 nuclear build core ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER 180.0 -52.32 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.195 -0.457 . . . . 72.13 110.854 179.878 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER 176.81 -31.85 0.0 OUTLIER 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.286 -0.416 . . . . 73.24 110.895 179.923 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -70.6 -23.67 62.61 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.234 -0.439 . . . . 71.15 110.884 179.975 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 6' ' ' GLU . . . . . 0.51 ' CA ' HD13 ' A' ' 59' ' ' LEU . 0.0 OUTLIER -54.22 -32.67 56.44 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.172 -0.467 . . . . 74.32 110.877 -179.937 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 8.3 mm-40 -55.15 -53.84 50.88 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.167 -0.47 . . . . 65.31 110.866 -179.936 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -53.46 -27.95 27.79 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.173 -0.467 . . . . 61.25 111.109 179.977 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 9' ' ' ALA . . . . . 0.477 ' HB3' ' O ' ' A' ' 6' ' ' GLU . . . -66.94 -40.54 87.6 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.193 -0.458 . . . . 62.34 111.115 179.923 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 8.8 mtmt -62.68 -32.65 73.76 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.223 -0.444 . . . . 65.35 110.935 179.947 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 59.5 mt -51.99 -44.55 64.13 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.207 -0.451 . . . . 60.14 110.885 179.92 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 12' ' ' PHE . . . . . 0.514 ' CE1' HD13 ' A' ' 51' ' ' LEU . 28.0 m-85 -73.99 -24.42 59.6 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.161 -0.472 . . . . 62.01 110.939 179.946 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -57.75 -39.01 76.38 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 116.113 -0.494 . . . . 70.41 110.88 -179.936 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 10.0 mt-10 -75.09 -34.31 61.73 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.228 -0.442 . . . . 74.23 110.953 179.997 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 15' ' ' TRP . . . . . 0.547 ' CZ3' ' HB2' ' B' ' 44' ' ' ALA . 23.2 m0 -53.9 -48.46 70.1 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.14 -0.482 . . . . 74.52 110.928 -179.974 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -77.15 -24.21 51.58 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.258 -0.428 . . . . 74.5 110.943 179.852 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -70.26 -47.08 62.91 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.209 -0.45 . . . . 32.43 110.928 179.851 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 3.6 mt -55.81 -32.79 63.86 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.192 -0.458 . . . . 75.12 110.899 179.907 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -69.96 -20.96 63.3 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.216 -0.447 . . . . 70.15 111.134 179.801 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 69.5 mt-10 -67.28 -49.24 65.08 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.18 -0.464 . . . . 70.41 110.9 -179.901 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 2.4 mm-40 -71.37 -32.14 68.14 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.117 -0.492 . . . . 43.04 110.923 -179.969 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -76.05 -32.94 59.56 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.128 -0.487 . . . . 70.41 111.116 179.904 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -70.95 -50.63 32.41 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.219 -0.446 . . . . 74.22 111.135 179.925 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -61.93 -37.54 85.09 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.265 -0.425 . . . . 43.13 110.945 179.925 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 12.6 mt -76.62 -38.91 53.95 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.238 -0.437 . . . . 72.41 110.899 179.899 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 2.4 mt -50.67 -43.33 57.42 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.125 -0.489 . . . . 63.42 110.915 179.957 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 9.0 mt-10 -101.61 12.83 36.54 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.181 -0.463 . . . . 73.44 110.915 179.943 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . -56.22 -17.53 17.91 Favored Glycine 0 N--CA 1.452 -0.297 0 C-N-CA 120.779 -0.724 . . . . 70.22 112.467 -179.968 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . 145.37 38.89 0.05 OUTLIER Glycine 0 N--CA 1.452 -0.262 0 C-N-CA 120.704 -0.76 . . . . 74.05 112.476 -179.866 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . -137.91 -67.06 0.05 OUTLIER Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.701 -0.762 . . . . 73.1 112.479 -179.959 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . 119.88 -54.71 0.64 Allowed Glycine 0 N--CA 1.451 -0.357 0 C-N-CA 120.755 -0.736 . . . . 52.31 112.494 -179.927 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . 52.11 -171.71 0.36 Allowed Glycine 0 N--CA 1.452 -0.297 0 C-N-CA 120.71 -0.757 . . . . 63.03 112.487 -179.951 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . 117.48 -90.09 0.5 Allowed Glycine 0 N--CA 1.451 -0.34 0 C-N-CA 120.745 -0.741 . . . . 50.51 112.484 -179.92 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 65.8 20.35 68.32 Favored Glycine 0 N--CA 1.452 -0.289 0 C-N-CA 120.749 -0.739 . . . . 71.22 112.441 -179.911 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 147.98 -145.04 13.15 Favored Glycine 0 N--CA 1.451 -0.3 0 C-N-CA 120.731 -0.747 . . . . 71.24 112.47 -179.956 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 1.8 pt-20 -74.91 -10.66 59.7 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.94 0.4 . . . . 71.4 110.907 -179.875 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 37' ' ' LEU . . . . . 0.62 HD13 ' CB ' ' B' ' 54' ' ' LEU . 0.3 OUTLIER -50.84 -52.66 39.26 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.112 -0.495 . . . . 75.5 110.896 -179.922 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 38' ' ' MET . . . . . . . . . . . . . 43.9 ttm -53.0 -42.04 65.21 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.14 -0.482 . . . . 55.34 110.891 179.848 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -69.36 -27.95 65.78 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.224 -0.444 . . . . 64.52 110.92 179.939 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 40' ' ' LEU . . . . . 0.56 HD22 ' HD3' ' B' ' 47' ' ' LYS . 27.0 mt -74.01 -30.75 62.61 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.202 -0.454 . . . . 70.53 110.962 179.896 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 41' ' ' CYS . . . . . . . . . . . . . 48.4 m -62.22 -35.27 78.39 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.17 -0.468 . . . . 71.54 110.822 179.95 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -72.69 -30.25 64.08 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.191 -0.458 . . . . 75.12 110.883 -179.806 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 3.8 mm-40 -59.24 -33.9 71.57 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 116.117 -0.492 . . . . 75.41 110.95 -179.974 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 44' ' ' ALA . . . . . 0.481 ' HB2' ' CZ3' ' B' ' 15' ' ' TRP . . . -51.6 -42.54 62.02 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.116 -0.493 . . . . 71.51 111.142 179.911 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -75.18 -22.97 57.65 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.182 -0.463 . . . . 71.24 111.052 -179.998 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -77.92 -46.74 20.4 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.208 -0.451 . . . . 70.31 110.853 -179.958 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 36.6 mmtm -61.85 -53.79 51.05 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.234 -0.439 . . . . 74.02 110.86 179.86 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 48' ' ' ALA . . . . . 0.465 ' HA ' HD12 ' A' ' 51' ' ' LEU . . . -58.05 -49.73 75.87 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.283 -0.417 . . . . 70.2 111.128 179.87 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 4.3 tp10 -58.76 -37.63 76.67 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.25 -0.432 . . . . 74.01 110.924 -179.98 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -73.92 -33.49 63.98 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.123 -0.49 . . . . 71.35 110.841 -179.895 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 51' ' ' LEU . . . . . 0.514 HD13 ' CE1' ' A' ' 12' ' ' PHE . 6.0 mt -72.98 -45.11 59.81 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.218 -0.446 . . . . 70.24 110.898 -179.966 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 52' ' ' PHE . . . . . . . . . . . . . 21.2 t80 -54.34 -29.76 49.17 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.164 -0.471 . . . . 65.22 110.879 179.925 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 23.6 mmtt -61.58 -44.69 96.55 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.146 -0.479 . . . . 65.35 110.912 -179.989 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 54' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -68.71 -27.29 65.82 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.246 -0.434 . . . . 50.43 110.9 179.936 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -53.35 -27.63 24.64 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.262 -0.426 . . . . 70.52 111.078 179.803 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 6.0 tt0 -64.9 -45.7 84.82 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.218 -0.446 . . . . 73.51 110.865 -179.916 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 24.9 tt0 -66.56 -37.92 85.97 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.166 -0.47 . . . . 61.33 110.917 -179.974 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 3.2 mtp85 -78.01 -19.37 54.55 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.176 -0.466 . . . . 74.02 110.825 -179.898 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 59' ' ' LEU . . . . . 0.51 HD13 ' CA ' ' A' ' 6' ' ' GLU . 26.4 tp -99.8 -78.8 0.5 Allowed 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.213 -0.449 . . . . 74.32 110.922 -179.99 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -95.22 -174.22 3.15 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.245 -0.434 . . . . 72.44 110.943 179.826 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -99.08 86.72 3.51 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.265 -0.425 . . . . 75.33 110.949 179.829 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 1.5 tt . . . . . 0 C--N 1.328 -0.35 0 CA-C-N 116.215 -0.448 . . . . 74.01 110.939 179.907 . . . . . . . . 0 0 . 1 . 013 nuclear build core ' B' B ' 1' ' ' MET . . . . . . . . . . . . . 6.2 mtm . . . . . 0 C--O 1.231 0.103 0 CA-C-O 120.866 0.365 . . . . 64.35 110.843 . . . . . . . . . 0 0 . 1 . 013 nuclear build core ' B' B ' 2' ' ' LYS . . . . . 0.514 ' HA ' HD11 ' B' ' 59' ' ' LEU . 15.3 ptmt -95.16 -166.48 1.47 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.185 -0.461 . . . . 71.21 110.894 179.94 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' B' B ' 3' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -179.82 -52.42 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.254 -0.43 . . . . 73.01 110.855 179.849 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' B' B ' 4' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER 176.98 -32.05 0.0 OUTLIER 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.2 -0.455 . . . . 71.12 110.904 179.908 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' B' B ' 5' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -70.22 -24.06 63.04 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.156 -0.475 . . . . 74.1 110.916 179.895 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' B' B ' 6' ' ' GLU . . . . . 0.463 ' O ' ' HB3' ' B' ' 9' ' ' ALA . 0.0 OUTLIER -54.12 -32.95 56.54 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.165 -0.47 . . . . 73.44 110.873 -179.919 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' B' B ' 7' ' ' GLU . . . . . . . . . . . . . 8.1 mm-40 -55.55 -54.12 48.0 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.149 -0.478 . . . . 63.32 110.946 -179.945 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 8' ' ' ALA . . . . . . . . . . . . . . . -53.48 -27.99 28.21 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.113 -0.494 . . . . 45.31 111.079 179.911 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 9' ' ' ALA . . . . . 0.463 ' HB3' ' O ' ' B' ' 6' ' ' GLU . . . -67.36 -41.36 85.24 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.267 -0.424 . . . . 72.34 111.053 179.933 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' B' B ' 10' ' ' LYS . . . . . . . . . . . . . 9.0 mtmt -63.28 -32.37 73.76 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.256 -0.429 . . . . 54.13 110.923 179.978 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 11' ' ' LEU . . . . . . . . . . . . . 60.8 mt -51.87 -44.52 63.73 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.243 -0.435 . . . . 71.54 110.916 179.913 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 12' ' ' PHE . . . . . 0.649 ' CE1' HD13 ' B' ' 51' ' ' LEU . 28.1 m-85 -73.95 -25.12 59.78 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.144 -0.48 . . . . 73.32 110.906 179.937 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' B' B ' 13' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -57.34 -39.36 75.76 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.17 -0.468 . . . . 74.41 110.859 -179.937 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' B' B ' 14' ' ' GLU . . . . . . . . . . . . . 10.4 mt-10 -75.13 -34.31 61.65 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.127 -0.488 . . . . 70.11 110.847 -179.87 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 15' ' ' TRP . . . . . 0.481 ' CZ3' ' HB2' ' A' ' 44' ' ' ALA . 20.9 m0 -53.88 -48.18 70.34 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.207 -0.451 . . . . 63.21 110.9 -179.957 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' B' B ' 16' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -76.97 -24.78 52.29 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.248 -0.433 . . . . 74.4 110.909 179.939 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' B' B ' 17' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -70.98 -45.37 64.16 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.2 -0.455 . . . . 72.21 110.918 179.889 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' B' B ' 18' ' ' LEU . . . . . . . . . . . . . 3.5 mt -54.66 -26.62 34.38 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.161 -0.472 . . . . 72.33 110.961 179.836 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 19' ' ' ALA . . . . . . . . . . . . . . . -62.86 -30.26 71.37 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.203 -0.453 . . . . 62.41 111.09 179.841 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 20' ' ' GLU . . . . . . . . . . . . . 65.3 mt-10 -66.98 -49.38 65.55 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.179 -0.464 . . . . 72.41 110.887 -179.917 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 21' ' ' GLU . . . . . . . . . . . . . 2.4 mm-40 -74.14 -30.96 62.54 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.188 -0.46 . . . . 64.33 110.913 -179.931 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 22' ' ' ALA . . . . . . . . . . . . . . . -75.87 -30.77 58.97 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.116 -0.493 . . . . 72.52 111.116 179.928 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 23' ' ' ALA . . . . . . . . . . . . . . . -70.93 -51.96 22.85 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.152 -0.476 . . . . 75.01 111.01 179.976 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 24' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -62.04 -37.26 84.27 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.271 -0.422 . . . . 54.22 110.918 -179.99 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' B' B ' 25' ' ' LEU . . . . . 0.409 HD23 ' HA ' ' B' ' 25' ' ' LEU . 12.5 mt -76.82 -36.74 56.68 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.145 -0.48 . . . . 74.14 110.864 179.947 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' B' B ' 26' ' ' LEU . . . . . . . . . . . . . 2.0 mt -50.49 -47.49 57.16 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.151 -0.477 . . . . 74.52 110.97 179.919 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 27' ' ' GLU . . . . . . . . . . . . . 9.2 mt-10 -96.81 12.3 32.59 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.161 -0.472 . . . . 75.13 110.925 179.883 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 28' ' ' GLY . . . . . . . . . . . . . . . -59.8 -13.96 27.78 Favored Glycine 0 N--CA 1.451 -0.326 0 C-N-CA 120.782 -0.723 . . . . 33.24 112.487 -179.996 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 29' ' ' GLY . . . . . . . . . . . . . . . 145.5 50.1 0.03 OUTLIER Glycine 0 N--CA 1.452 -0.288 0 C-N-CA 120.696 -0.764 . . . . 74.23 112.482 -179.873 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 30' ' ' GLY . . . . . . . . . . . . . . . -114.02 -29.6 2.76 Favored Glycine 0 N--CA 1.451 -0.325 0 C-N-CA 120.682 -0.77 . . . . 75.22 112.502 -179.919 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 31' ' ' GLY . . . . . . . . . . . . . . . 157.51 -32.61 0.53 Allowed Glycine 0 N--CA 1.451 -0.339 0 C-N-CA 120.723 -0.751 . . . . 33.14 112.482 -179.982 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 32' ' ' GLY . . . . . . . . . . . . . . . 71.93 -134.72 22.16 Favored Glycine 0 N--CA 1.451 -0.316 0 C-N-CA 120.801 -0.714 . . . . 63.35 112.473 -179.879 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 33' ' ' GLY . . . . . . . . . . . . . . . 155.46 -69.02 0.29 Allowed Glycine 0 N--CA 1.451 -0.357 0 C-N-CA 120.768 -0.73 . . . . 54.13 112.506 -179.923 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 34' ' ' GLY . . . . . . . . . . . . . . . 85.28 56.09 2.48 Favored Glycine 0 N--CA 1.451 -0.301 0 C-N-CA 120.672 -0.775 . . . . 71.41 112.445 -179.938 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 35' ' ' GLY . . . . . . . . . . . . . . . -177.75 -138.39 3.04 Favored Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 120.76 -0.734 . . . . 74.21 112.556 -179.915 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 36' ' ' GLU . . . . . . . . . . . . . 1.6 pt-20 -65.96 -15.4 62.96 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-O 120.972 0.415 . . . . 74.01 110.928 -179.912 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 37' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -53.35 -59.13 4.97 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.165 -0.47 . . . . 75.13 110.92 -179.988 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' B' B ' 38' ' ' MET . . . . . . . . . . . . . 47.4 ttm -68.36 -30.07 68.93 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.206 -0.452 . . . . 71.44 110.919 179.792 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 39' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -57.13 -30.63 64.57 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.197 -0.456 . . . . 74.11 110.926 179.911 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' B' B ' 40' ' ' LEU . . . . . . . . . . . . . 27.0 mt -71.69 -42.88 66.89 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.24 -0.436 . . . . 74.02 110.909 179.96 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 41' ' ' CYS . . . . . . . . . . . . . 32.0 m -74.94 -29.33 60.91 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.195 -0.457 . . . . 50.22 110.936 179.873 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 42' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -66.37 -25.71 66.92 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.154 -0.476 . . . . 62.24 110.876 -179.827 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' B' B ' 43' ' ' GLU . . . . . . . . . . . . . 3.6 mm-40 -54.75 -34.63 62.8 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.092 -0.504 . . . . 75.32 110.859 -179.93 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 44' ' ' ALA . . . . . 0.547 ' HB2' ' CZ3' ' A' ' 15' ' ' TRP . . . -51.91 -42.0 62.4 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.145 -0.48 . . . . 44.41 111.068 -179.972 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' B' B ' 45' ' ' ALA . . . . . . . . . . . . . . . -75.18 -22.9 57.72 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.222 -0.444 . . . . 70.02 111.135 179.939 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 46' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -74.44 -45.7 44.76 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.177 -0.465 . . . . 74.31 110.858 179.968 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' B' B ' 47' ' ' LYS . . . . . 0.56 ' HD3' HD22 ' A' ' 40' ' ' LEU . 37.1 mmtm -60.87 -53.67 54.51 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.219 -0.446 . . . . 65.44 110.954 179.86 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' B' B ' 48' ' ' ALA . . . . . 0.681 ' HA ' HD12 ' B' ' 51' ' ' LEU . . . -59.0 -49.12 79.12 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.188 -0.46 . . . . 63.03 111.102 179.824 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' B' B ' 49' ' ' GLU . . . . . . . . . . . . . 4.2 tp10 -57.9 -37.15 73.48 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.202 -0.454 . . . . 72.04 110.839 -179.953 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 50' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -73.77 -32.23 63.69 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.221 -0.445 . . . . 51.35 110.908 -179.88 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' B' B ' 51' ' ' LEU . . . . . 0.681 HD12 ' HA ' ' B' ' 48' ' ' ALA . 5.6 mt -72.41 -43.93 63.18 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.124 -0.489 . . . . 60.14 110.969 179.994 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' B' B ' 52' ' ' PHE . . . . . 0.434 ' O ' ' HB3' ' B' ' 55' ' ' ALA . 20.9 t80 -54.12 -28.13 37.7 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.179 -0.464 . . . . 72.15 110.852 179.922 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' B' B ' 53' ' ' LYS . . . . . . . . . . . . . 23.6 mmtt -59.92 -44.76 94.12 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.253 -0.43 . . . . 60.54 110.846 179.936 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 54' ' ' LEU . . . . . 0.62 ' CB ' HD13 ' A' ' 37' ' ' LEU . 0.3 OUTLIER -68.69 -25.85 65.0 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.25 -0.432 . . . . 75.13 110.976 179.93 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' B' B ' 55' ' ' ALA . . . . . 0.442 ' HB1' ' HB2' ' B' ' 9' ' ' ALA . . . -53.22 -27.66 23.08 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.131 -0.486 . . . . 54.33 111.128 179.75 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' B' B ' 56' ' ' GLU . . . . . . . . . . . . . 6.0 tt0 -64.56 -45.95 84.86 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.181 -0.463 . . . . 73.41 110.906 -179.939 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 57' ' ' GLU . . . . . . . . . . . . . 25.0 tt0 -66.47 -37.83 85.98 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.124 -0.489 . . . . 63.43 110.879 -179.898 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 58' ' ' ARG . . . . . . . . . . . . . 3.1 mtp85 -78.08 -19.16 54.74 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.179 -0.464 . . . . 65.45 110.861 -179.916 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 59' ' ' LEU . . . . . 0.514 HD11 ' HA ' ' B' ' 2' ' ' LYS . 28.6 tp -100.06 -78.73 0.51 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.188 -0.46 . . . . 65.41 110.96 -179.961 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' B' B ' 60' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -95.23 -174.18 3.14 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.188 -0.46 . . . . 71.12 110.905 179.784 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' B' B ' 61' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -98.98 86.82 3.55 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 116.192 -0.458 . . . . 72.01 110.89 179.878 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' B' B ' 62' ' ' LEU . . . . . . . . . . . . . 1.5 tt . . . . . 0 C--N 1.328 -0.357 0 CA-C-N 116.188 -0.46 . . . . 73.32 110.9 179.905 . . . . . . . . 0 0 . 1 . 014 nuclear build core ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 C--O 1.232 0.137 0 CA-C-O 120.817 0.341 . . . . 71.12 110.926 . . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -119.53 -30.12 4.92 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.255 -0.43 . . . . 62.3 110.935 179.87 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -176.45 -31.7 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.176 -0.465 . . . . 72.13 110.914 179.896 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 37.1 mtt180 -51.4 -27.58 10.41 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.241 -0.436 . . . . 64.21 110.828 179.965 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -52.53 -26.62 13.69 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.277 -0.42 . . . . 74.25 110.878 -179.921 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 1.5 mm-40 -53.04 -36.08 60.18 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.177 -0.465 . . . . 74.34 110.866 -179.924 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -76.24 -26.98 56.56 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.108 -0.496 . . . . 72.31 111.067 179.988 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 9' ' ' ALA . . . . . 0.749 ' HB2' HD13 ' A' ' 59' ' ' LEU . . . -60.82 -41.0 94.86 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.3 -0.409 . . . . 71.32 111.084 179.926 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 17.2 mtpt -55.8 -34.36 65.25 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.263 -0.426 . . . . 64.24 110.909 179.94 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 33.7 mt -52.2 -42.91 63.9 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.237 -0.438 . . . . 64.43 110.907 179.921 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 22.8 m-85 -73.99 -26.32 60.4 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.181 -0.463 . . . . 71.11 110.926 179.937 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -62.25 -48.49 79.69 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.127 -0.488 . . . . 64.52 110.977 -179.991 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 6.2 mt-10 -75.08 -27.59 59.99 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.132 -0.485 . . . . 73.1 110.857 -179.946 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 15' ' ' TRP . . . . . . . . . . . . . 0.0 OUTLIER -56.33 -55.74 29.73 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.181 -0.463 . . . . 62.43 110.904 -179.94 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 2.8 ptmt -68.92 -22.33 64.16 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.223 -0.444 . . . . 74.52 110.993 179.901 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 1.9 tttt -75.03 -43.97 50.58 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.154 -0.476 . . . . 64.54 110.908 179.834 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 3.6 mt -57.2 -23.96 51.27 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.236 -0.438 . . . . 74.54 110.895 179.941 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -72.07 -10.05 59.24 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.237 -0.438 . . . . 73.21 111.084 179.836 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 1.4 tp10 -68.77 -49.54 57.82 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.162 -0.472 . . . . 65.33 110.89 -179.908 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -53.52 -34.2 57.27 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.193 -0.458 . . . . 73.35 110.857 -179.893 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 22' ' ' ALA . . . . . 0.458 ' O ' HD12 ' A' ' 26' ' ' LEU . . . -77.42 -31.74 54.2 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.141 -0.481 . . . . 65.44 111.062 179.952 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -72.1 -46.04 58.31 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.187 -0.461 . . . . 73.41 111.155 179.941 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -67.65 -36.76 81.35 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.222 -0.445 . . . . 73.25 110.828 -179.978 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 25' ' ' LEU . . . . . 0.419 ' HA ' HD23 ' A' ' 25' ' ' LEU . 13.0 mt -76.77 -38.32 54.29 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.248 -0.433 . . . . 75.45 110.91 179.957 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 26' ' ' LEU . . . . . 0.458 HD12 ' O ' ' A' ' 22' ' ' ALA . 1.3 mt -50.45 -45.91 56.29 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.169 -0.469 . . . . 74.33 110.87 179.943 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 1.1 mt-10 -98.96 12.38 36.1 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.187 -0.461 . . . . 74.32 110.873 179.939 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . -59.47 -14.26 26.8 Favored Glycine 0 N--CA 1.451 -0.32 0 C-N-CA 120.769 -0.729 . . . . 70.34 112.532 179.976 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . 137.43 43.56 0.09 OUTLIER Glycine 0 N--CA 1.451 -0.356 0 C-N-CA 120.742 -0.742 . . . . 53.15 112.485 -179.94 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . -171.04 57.9 0.18 Allowed Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 120.777 -0.725 . . . . 75.22 112.495 -179.914 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . -174.49 -120.64 0.59 Allowed Glycine 0 N--CA 1.451 -0.304 0 C-N-CA 120.807 -0.711 . . . . 73.04 112.474 -179.907 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . 59.8 29.01 66.61 Favored Glycine 0 N--CA 1.452 -0.286 0 C-N-CA 120.706 -0.759 . . . . 73.23 112.493 -179.89 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -78.07 58.88 3.95 Favored Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 120.774 -0.727 . . . . 72.42 112.518 -179.906 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 95.1 -19.23 55.15 Favored Glycine 0 N--CA 1.451 -0.302 0 C-N-CA 120.726 -0.75 . . . . 60.54 112.49 -179.899 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 97.14 -18.81 56.84 Favored Glycine 0 N--CA 1.452 -0.258 0 C-N-CA 120.775 -0.726 . . . . 71.42 112.501 -179.862 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 35.8 tt0 -56.31 -35.58 67.72 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-O 120.932 0.396 . . . . 71.01 110.918 -179.843 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 30.5 tp -56.93 -47.97 79.36 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.118 -0.492 . . . . 64.24 110.97 179.985 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 38' ' ' MET . . . . . . . . . . . . . 19.2 ttm -66.79 -31.25 71.77 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.132 -0.485 . . . . 61.31 110.878 179.816 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 9.4 tttt -61.09 -27.93 68.72 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.208 -0.451 . . . . 75.42 110.896 179.956 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 40' ' ' LEU . . . . . 0.778 ' HB3' HD22 ' B' ' 51' ' ' LEU . 32.4 mt -67.6 -60.12 2.8 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.189 -0.459 . . . . 53.33 110.942 179.899 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 41' ' ' CYS . . . . . . . . . . . . . 16.0 p -60.66 -25.42 66.33 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.152 -0.476 . . . . 63.11 110.941 179.912 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 59.5 tt0 -61.78 -25.05 67.24 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.114 -0.494 . . . . 54.04 110.912 -179.885 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 2.1 mm-40 -54.48 -36.37 64.08 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.175 -0.466 . . . . 72.41 110.892 -179.984 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 44' ' ' ALA . . . . . 0.514 ' HB2' ' CZ2' ' B' ' 15' ' ' TRP . . . -51.31 -45.25 62.15 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.23 -0.441 . . . . 73.32 111.051 179.953 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -75.36 -22.65 57.38 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.2 -0.455 . . . . 61.43 111.14 179.909 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -76.09 -49.83 16.36 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.19 -0.459 . . . . 75.1 110.897 -179.962 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 10.6 mmpt? -65.86 -39.54 90.83 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.167 -0.469 . . . . 73.45 110.867 179.904 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -67.84 -45.84 73.5 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.288 -0.414 . . . . 72.35 111.05 179.839 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 4.6 tp10 -72.15 -27.96 62.93 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.2 -0.455 . . . . 74.53 110.849 -179.881 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 6.3 tt0 -71.23 -49.87 38.84 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.25 -0.432 . . . . 72.23 110.86 -179.958 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 51' ' ' LEU . . . . . 0.479 HD12 ' N ' ' A' ' 52' ' ' PHE . 4.4 pp -72.67 -33.64 66.68 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.228 -0.442 . . . . 72.13 110.963 179.982 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 52' ' ' PHE . . . . . 0.479 ' N ' HD12 ' A' ' 51' ' ' LEU . 70.8 t80 -62.86 -29.2 70.57 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.17 -0.468 . . . . 72.14 110.892 179.91 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 7.0 mmtp -59.44 -57.94 10.77 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.136 -0.484 . . . . 70.54 110.887 179.971 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 54' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -75.3 -41.47 56.89 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.196 -0.456 . . . . 73.42 110.902 179.964 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -61.66 -25.07 67.15 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.254 -0.43 . . . . 71.22 111.084 179.804 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 3.6 tt0 -52.75 -25.22 10.55 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.257 -0.429 . . . . 73.12 110.87 -179.943 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 17.2 tt0 -76.57 -55.4 5.56 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.11 -0.495 . . . . 64.0 110.899 -179.96 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 58' ' ' ARG . . . . . 0.488 ' NH1' HD13 ' B' ' 37' ' ' LEU . 0.0 OUTLIER -68.93 -10.95 59.96 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.189 -0.459 . . . . 65.14 110.922 -179.933 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 59' ' ' LEU . . . . . 0.749 HD13 ' HB2' ' A' ' 9' ' ' ALA . 11.6 mt -100.87 -64.01 1.08 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.133 -0.485 . . . . 74.13 110.957 179.955 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 13.9 mmtp -88.92 -68.6 0.76 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.145 -0.48 . . . . 71.43 110.859 179.875 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 1.9 tmtt? 179.61 -60.03 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.25 -0.432 . . . . 75.51 110.873 179.858 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER . . . . . 0 C--N 1.329 -0.318 0 CA-C-N 116.213 -0.449 . . . . 74.23 110.89 179.902 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 1' ' ' MET . . . . . . . . . . . . . 3.7 ptt? . . . . . 0 C--O 1.231 0.091 0 CA-C-O 120.842 0.353 . . . . 54.35 110.857 . . . . . . . . . 0 0 . 1 . 014 nuclear build core ' B' B ' 2' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -51.79 141.37 17.26 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.204 -0.453 . . . . 53.44 110.895 179.892 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' B' B ' 3' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -118.75 -28.94 5.49 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.179 -0.464 . . . . 74.33 110.867 179.832 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' B' B ' 4' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -176.49 -31.76 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.229 -0.441 . . . . 70.33 110.862 179.921 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' B' B ' 5' ' ' ARG . . . . . . . . . . . . . 37.3 mtt180 -51.31 -27.63 10.01 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.248 -0.433 . . . . 71.42 110.854 179.92 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 6' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -52.5 -26.43 13.01 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.233 -0.439 . . . . 64.5 110.854 -179.865 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' B' B ' 7' ' ' GLU . . . . . . . . . . . . . 1.5 mm-40 -52.94 -34.28 54.76 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.106 -0.497 . . . . 73.04 110.885 -179.946 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 8' ' ' ALA . . . . . 0.409 ' HB3' HD21 ' B' ' 59' ' ' LEU . . . -76.05 -27.97 57.47 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.129 -0.487 . . . . 71.34 111.074 179.961 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' B' B ' 9' ' ' ALA . . . . . 0.708 ' HB2' HD13 ' B' ' 59' ' ' LEU . . . -60.51 -40.2 90.57 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.295 -0.412 . . . . 30.33 111.078 179.979 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' B' B ' 10' ' ' LYS . . . . . . . . . . . . . 17.2 mtpt -55.76 -34.33 65.12 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.141 -0.481 . . . . 74.15 110.948 179.973 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 11' ' ' LEU . . . . . . . . . . . . . 32.4 mt -52.62 -42.98 65.1 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.257 -0.429 . . . . 71.2 110.931 179.879 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 12' ' ' PHE . . . . . . . . . . . . . 18.1 m-85 -74.16 -24.61 59.42 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.192 -0.458 . . . . 75.42 110.893 179.882 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 13' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -53.71 -38.04 63.87 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.214 -0.448 . . . . 73.14 110.885 -179.924 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' B' B ' 14' ' ' GLU . . . . . . . . . . . . . 5.4 mt-10 -66.23 -26.59 67.44 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.113 -0.494 . . . . 73.22 110.851 -179.894 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 15' ' ' TRP . . . . . 0.641 ' HE1' ' HB1' ' B' ' 44' ' ' ALA . 3.2 t90 -63.07 -56.2 18.99 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.169 -0.469 . . . . 73.12 110.945 179.998 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' B' B ' 16' ' ' LYS . . . . . . . . . . . . . 2.8 ptmt -71.19 -25.43 62.52 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.261 -0.427 . . . . 75.35 110.925 179.908 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 17' ' ' LYS . . . . . . . . . . . . . 4.0 tttt -75.15 -62.71 1.46 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.187 -0.46 . . . . 75.52 110.858 179.909 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 18' ' ' LEU . . . . . . . . . . . . . 3.3 mt -57.95 -24.46 58.06 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.241 -0.436 . . . . 71.31 110.926 179.935 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 19' ' ' ALA . . . . . . . . . . . . . . . -73.85 -10.06 59.28 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.223 -0.444 . . . . 75.34 111.133 179.76 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 20' ' ' GLU . . . . . . . . . . . . . 1.4 tp10 -72.97 -49.45 29.07 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.226 -0.443 . . . . 64.14 110.88 -179.875 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 21' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -53.57 -34.22 57.53 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.162 -0.472 . . . . 73.12 110.875 -179.946 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' B' B ' 22' ' ' ALA . . . . . 0.457 ' O ' HD12 ' B' ' 26' ' ' LEU . . . -77.78 -32.02 52.28 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.163 -0.472 . . . . 55.24 111.123 179.869 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' B' B ' 23' ' ' ALA . . . . . . . . . . . . . . . -71.23 -46.52 60.95 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.236 -0.438 . . . . 51.42 111.099 179.899 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 24' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -67.44 -36.91 82.14 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.183 -0.462 . . . . 73.35 110.943 179.969 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' B' B ' 25' ' ' LEU . . . . . 0.402 HD23 ' HA ' ' B' ' 25' ' ' LEU . 13.5 mt -76.76 -37.64 55.54 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.236 -0.438 . . . . 61.31 110.907 179.894 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' B' B ' 26' ' ' LEU . . . . . 0.457 HD12 ' O ' ' B' ' 22' ' ' ALA . 1.2 mt -50.37 -47.24 56.23 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.19 -0.459 . . . . 73.33 110.965 179.877 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' B' B ' 27' ' ' GLU . . . . . . . . . . . . . 1.1 mt-10 -100.01 12.32 37.14 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.157 -0.474 . . . . 73.31 110.872 179.962 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 28' ' ' GLY . . . . . . . . . . . . . . . -59.34 -14.5 26.97 Favored Glycine 0 N--CA 1.451 -0.333 0 C-N-CA 120.805 -0.712 . . . . 71.24 112.506 179.977 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 29' ' ' GLY . . . . . . . . . . . . . . . 135.04 43.79 0.11 Allowed Glycine 0 N--CA 1.451 -0.326 0 C-N-CA 120.774 -0.727 . . . . 23.44 112.5 -179.911 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 30' ' ' GLY . . . . . . . . . . . . . . . -170.81 62.47 0.17 Allowed Glycine 0 N--CA 1.45 -0.383 0 C-N-CA 120.723 -0.751 . . . . 74.13 112.478 -179.957 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 31' ' ' GLY . . . . . . . . . . . . . . . -171.61 -125.4 0.82 Allowed Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.682 -0.77 . . . . 64.14 112.408 -179.89 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 32' ' ' GLY . . . . . . . . . . . . . . . 56.48 27.97 54.93 Favored Glycine 0 N--CA 1.452 -0.287 0 C-N-CA 120.731 -0.747 . . . . 73.5 112.483 -179.925 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 33' ' ' GLY . . . . . . . . . . . . . . . -79.02 57.67 4.33 Favored Glycine 0 N--CA 1.451 -0.34 0 C-N-CA 120.748 -0.739 . . . . 24.14 112.5 -179.89 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 34' ' ' GLY . . . . . . . . . . . . . . . 92.72 -21.55 38.37 Favored Glycine 0 N--CA 1.451 -0.306 0 C-N-CA 120.72 -0.753 . . . . 60.42 112.489 -179.893 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 35' ' ' GLY . . . . . . . . . . . . . . . 95.9 -20.61 49.14 Favored Glycine 0 N--CA 1.45 -0.405 0 C-N-CA 120.805 -0.712 . . . . 75.53 112.482 -179.922 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 36' ' ' GLU . . . . . . . . . . . . . 35.7 tt0 -58.0 -39.28 77.89 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-O 120.867 0.365 . . . . 64.43 110.93 -179.886 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 37' ' ' LEU . . . . . 0.488 HD13 ' NH1' ' A' ' 58' ' ' ARG . 14.1 tp -59.54 -48.3 82.17 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.186 -0.461 . . . . 74.0 110.873 -179.998 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' B' B ' 38' ' ' MET . . . . . . . . . . . . . 25.6 ttm -66.15 -32.49 73.96 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.171 -0.468 . . . . 73.34 110.853 179.903 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 39' ' ' LYS . . . . . . . . . . . . . 9.4 tttt -58.37 -30.97 67.2 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.225 -0.443 . . . . 74.31 110.901 179.898 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 40' ' ' LEU . . . . . . . . . . . . . 24.9 mt -67.65 -60.53 2.47 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 116.194 -0.457 . . . . 74.11 110.887 179.961 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 41' ' ' CYS . . . . . . . . . . . . . 18.6 p -64.79 -24.15 67.46 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.201 -0.454 . . . . 72.14 110.895 179.916 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 42' ' ' GLU . . . . . . . . . . . . . 59.7 tt0 -66.43 -25.76 66.9 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.242 -0.436 . . . . 65.42 110.89 -179.881 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 43' ' ' GLU . . . . . . . . . . . . . 1.9 mm-40 -54.65 -44.57 73.37 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.063 -0.517 . . . . 74.14 110.846 -179.919 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 44' ' ' ALA . . . . . 0.641 ' HB1' ' HE1' ' B' ' 15' ' ' TRP . . . -51.43 -43.97 62.18 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.151 -0.477 . . . . 53.41 111.151 179.993 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' B' B ' 45' ' ' ALA . . . . . . . . . . . . . . . -75.73 -22.46 56.54 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.159 -0.473 . . . . 54.54 111.058 179.924 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 46' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -76.14 -48.49 20.4 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.297 -0.41 . . . . 74.4 110.902 179.987 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' B' B ' 47' ' ' LYS . . . . . . . . . . . . . 10.6 mmpt? -61.83 -38.73 89.28 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.183 -0.462 . . . . 74.14 110.9 179.835 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 48' ' ' ALA . . . . . 0.607 ' HB2' ' CD2' ' B' ' 15' ' ' TRP . . . -68.81 -45.07 72.21 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.189 -0.459 . . . . 65.51 111.142 179.788 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' B' B ' 49' ' ' GLU . . . . . . . . . . . . . 4.6 tp10 -70.51 -28.03 64.65 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.291 -0.413 . . . . 70.14 110.84 -179.94 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 50' ' ' GLU . . . . . . . . . . . . . 6.3 tt0 -73.21 -48.73 32.62 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.189 -0.46 . . . . 62.22 110.898 -179.862 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 51' ' ' LEU . . . . . 0.778 HD22 ' HB3' ' A' ' 40' ' ' LEU . 4.4 pp -71.17 -33.05 69.65 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.103 -0.499 . . . . 44.2 110.887 -179.979 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' B' B ' 52' ' ' PHE . . . . . 0.501 ' N ' HD12 ' B' ' 51' ' ' LEU . 69.8 t80 -64.56 -29.55 70.57 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 121.031 0.443 . . . . 75.04 110.932 179.901 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' B' B ' 53' ' ' LYS . . . . . . . . . . . . . 7.8 mmtp -60.7 -55.86 28.19 Favored 'General case' 0 C--N 1.33 -0.283 0 CA-C-N 116.205 -0.452 . . . . 75.04 110.89 179.921 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 54' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -75.17 -41.54 57.82 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.244 -0.434 . . . . 73.43 110.887 179.98 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' B' B ' 55' ' ' ALA . . . . . . . . . . . . . . . -62.69 -25.14 68.01 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.182 -0.463 . . . . 63.22 111.058 179.836 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 56' ' ' GLU . . . . . . . . . . . . . 3.9 tt0 -53.33 -25.2 14.2 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.202 -0.453 . . . . 63.12 110.902 -179.917 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 57' ' ' GLU . . . . . . . . . . . . . 18.0 tt0 -76.36 -55.4 5.59 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.153 -0.476 . . . . 64.42 110.861 -179.9 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 58' ' ' ARG . . . . . 0.424 ' HD3' ' HG ' ' B' ' 59' ' ' LEU . 0.0 OUTLIER -68.54 -11.06 59.4 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.174 -0.466 . . . . 75.14 110.878 -179.915 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' B' B ' 59' ' ' LEU . . . . . 0.708 HD13 ' HB2' ' B' ' 9' ' ' ALA . 11.6 mt -100.63 -64.43 1.05 Allowed 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 116.192 -0.458 . . . . 73.25 110.986 179.997 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' B' B ' 60' ' ' LYS . . . . . . . . . . . . . 13.0 mmtp -88.64 -68.55 0.76 Allowed 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.197 -0.456 . . . . 75.35 110.927 179.82 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 61' ' ' LYS . . . . . . . . . . . . . 2.0 tmtt? 179.61 -60.28 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.167 -0.47 . . . . 74.1 110.906 179.815 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 62' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER . . . . . 0 C--N 1.329 -0.312 0 CA-C-N 116.194 -0.457 . . . . 64.42 110.887 179.927 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.231 0.124 0 CA-C-O 120.838 0.351 . . . . 73.51 110.897 . . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -145.06 -74.89 0.23 Allowed 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.222 -0.444 . . . . 75.33 110.931 179.879 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 4' ' ' LEU . . . . . 0.773 ' O ' HD22 ' A' ' 4' ' ' LEU . 0.0 OUTLIER -140.93 4.74 1.9 Allowed 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.227 -0.442 . . . . 74.12 110.906 179.931 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 5' ' ' ARG . . . . . 0.445 ' N ' HD13 ' A' ' 4' ' ' LEU . 3.5 mtt-85 -72.01 -30.45 65.24 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.188 -0.46 . . . . 63.51 110.846 179.956 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 6' ' ' GLU . . . . . 0.43 ' CA ' HD23 ' A' ' 59' ' ' LEU . 0.1 OUTLIER -55.29 -26.63 41.53 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.211 -0.45 . . . . 64.24 110.918 -179.968 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 18.5 pt-20 -53.74 -32.17 51.21 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.117 -0.492 . . . . 74.21 110.89 -179.924 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -74.9 -28.27 60.56 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.165 -0.471 . . . . 62.32 111.123 179.918 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 9' ' ' ALA . . . . . 0.553 ' CB ' ' HB1' ' A' ' 55' ' ' ALA . . . -74.2 -38.0 63.73 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.194 -0.457 . . . . 41.31 111.102 179.922 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 1.6 mtpt -62.37 -30.45 71.2 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.28 -0.418 . . . . 70.15 110.896 179.957 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 60.4 mt -51.92 -44.66 63.95 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.222 -0.444 . . . . 73.54 110.885 179.925 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 22.5 m-85 -74.09 -27.07 60.71 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.232 -0.44 . . . . 73.4 110.891 179.891 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -54.01 -33.11 56.27 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.202 -0.453 . . . . 73.14 110.842 -179.886 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 12.4 mt-10 -69.22 -35.7 76.45 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.172 -0.467 . . . . 74.1 110.926 -179.962 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 15' ' ' TRP . . . . . 0.711 ' HB3' ' HB2' ' A' ' 48' ' ' ALA . 4.2 t90 -64.74 -43.82 92.1 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.202 -0.454 . . . . 74.45 110.905 -179.985 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 5.3 ptmt -77.25 -28.17 53.5 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.286 -0.416 . . . . 72.23 110.879 179.918 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 19.3 mmtt -74.97 -54.62 6.88 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.187 -0.461 . . . . 54.43 110.921 179.904 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 21.6 mt -54.78 -33.61 61.6 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.192 -0.458 . . . . 54.33 110.952 179.904 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 19' ' ' ALA . . . . . 0.473 ' HB2' ' HB3' ' A' ' 44' ' ' ALA . . . -65.94 -26.85 67.77 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.189 -0.46 . . . . 74.04 111.085 179.829 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 1.4 tp10 -73.48 -49.4 26.91 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.206 -0.452 . . . . 70.25 110.923 -179.961 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 2.0 mm-40 -73.07 -49.65 27.39 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.164 -0.471 . . . . 60.02 110.906 -179.957 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -55.6 -30.67 61.3 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.162 -0.472 . . . . 73.05 111.161 179.907 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -71.1 -54.26 11.72 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.183 -0.462 . . . . 75.2 111.084 179.958 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 1.4 ptpp? -63.06 -34.47 77.65 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.255 -0.429 . . . . 75.52 110.871 179.981 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 25' ' ' LEU . . . . . 0.44 HD23 ' HA ' ' A' ' 25' ' ' LEU . 6.4 mt -76.79 -39.18 52.38 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.265 -0.425 . . . . 62.43 110.897 179.95 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 2.8 mt -50.69 -49.32 57.7 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.169 -0.469 . . . . 41.31 110.945 179.893 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 23.9 mt-10 -91.39 13.19 18.19 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.233 -0.44 . . . . 73.41 110.847 179.939 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . -73.9 60.51 2.15 Favored Glycine 0 N--CA 1.451 -0.336 0 C-N-CA 120.778 -0.725 . . . . 52.1 112.534 179.989 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . 51.71 39.82 47.32 Favored Glycine 0 N--CA 1.451 -0.339 0 C-N-CA 120.777 -0.725 . . . . 43.1 112.468 -179.911 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . -90.29 -51.21 2.8 Favored Glycine 0 N--CA 1.45 -0.38 0 C-N-CA 120.711 -0.757 . . . . 64.33 112.539 -179.921 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . -158.84 -47.6 0.01 OUTLIER Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 120.736 -0.745 . . . . 24.12 112.438 -179.924 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . -173.49 -110.75 0.25 Allowed Glycine 0 N--CA 1.451 -0.316 0 C-N-CA 120.753 -0.737 . . . . 72.24 112.517 -179.921 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . 74.32 116.65 0.09 OUTLIER Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 120.693 -0.765 . . . . 34.31 112.541 -179.854 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 169.49 85.16 0.06 OUTLIER Glycine 0 N--CA 1.451 -0.341 0 C-N-CA 120.706 -0.759 . . . . 74.33 112.458 -179.874 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 143.59 -132.52 4.98 Favored Glycine 0 N--CA 1.452 -0.285 0 C-N-CA 120.691 -0.766 . . . . 74.33 112.485 -179.865 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -71.09 -35.79 71.97 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-O 120.849 0.356 . . . . 72.43 110.849 -179.842 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 37' ' ' LEU . . . . . 0.749 HD13 ' HG ' ' B' ' 54' ' ' LEU . 13.1 tp -52.39 -56.67 13.4 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.146 -0.479 . . . . 74.42 110.934 179.992 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 38' ' ' MET . . . . . . . . . . . . . 1.0 OUTLIER -70.54 -25.56 63.16 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.16 -0.473 . . . . 50.55 110.892 179.844 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 6.3 tttp -54.12 -28.09 37.51 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.279 -0.419 . . . . 75.24 110.885 179.943 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 40' ' ' LEU . . . . . 0.544 ' HB2' HD21 ' B' ' 51' ' ' LEU . 13.1 mt -70.46 -31.34 68.45 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.211 -0.449 . . . . 60.1 110.911 179.921 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 41' ' ' CYS . . . . . . . . . . . . . 19.0 m -75.04 -45.42 41.75 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.165 -0.47 . . . . 65.11 110.872 179.92 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 4.6 tt0 -56.69 -25.66 54.68 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.248 -0.433 . . . . 71.53 110.868 -179.846 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 4.7 mm-40 -54.71 -33.97 61.73 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.196 -0.456 . . . . 44.23 110.9 -179.92 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 44' ' ' ALA . . . . . 0.649 ' HB1' ' CD1' ' A' ' 15' ' ' TRP . . . -51.61 -42.11 61.75 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.171 -0.468 . . . . 72.41 111.106 179.897 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -75.27 -22.85 57.49 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.157 -0.474 . . . . 63.33 111.095 179.95 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -74.49 -47.89 30.53 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.223 -0.444 . . . . 71.11 110.921 179.932 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 1.1 mptp? -59.82 -57.18 14.03 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.182 -0.463 . . . . 63.43 110.852 179.908 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 48' ' ' ALA . . . . . 0.711 ' HB2' ' HB3' ' A' ' 15' ' ' TRP . . . -51.91 -34.89 43.51 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.282 -0.417 . . . . 70.31 111.042 179.839 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 4.0 tt0 -65.13 -44.33 89.03 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.199 -0.455 . . . . 54.12 110.9 -179.865 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 17.9 mm-40 -74.07 -35.13 64.23 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.125 -0.489 . . . . 72.3 110.901 -179.918 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 51' ' ' LEU . . . . . 0.558 HD21 ' HB2' ' B' ' 40' ' ' LEU . 9.2 mt -72.64 -34.1 67.05 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.116 -0.493 . . . . 73.23 110.862 -179.959 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 52' ' ' PHE . . . . . . . . . . . . . 84.2 t80 -55.69 -27.98 53.16 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.152 -0.476 . . . . 75.2 110.897 179.953 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -53.48 -46.76 70.1 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.167 -0.469 . . . . 74.23 110.949 179.942 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 54' ' ' LEU . . . . . 0.496 ' HG ' HD13 ' B' ' 37' ' ' LEU . 1.6 mm? -71.89 -29.39 64.29 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.212 -0.449 . . . . 62.33 110.88 179.891 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 55' ' ' ALA . . . . . 0.553 ' HB1' ' CB ' ' A' ' 9' ' ' ALA . . . -54.24 -28.67 42.96 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.158 -0.474 . . . . 75.51 111.133 179.836 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 3.2 mm-40 -77.14 -31.29 55.58 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.237 -0.438 . . . . 63.33 110.878 -179.919 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -60.78 -44.54 96.65 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.159 -0.473 . . . . 74.21 110.935 -179.971 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -79.29 -25.62 42.4 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.136 -0.484 . . . . 73.21 110.901 -179.964 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 59' ' ' LEU . . . . . 0.483 HD13 ' C ' ' A' ' 59' ' ' LEU . 3.4 tm? -84.03 -73.64 0.41 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.117 -0.492 . . . . 54.14 110.926 -179.999 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -103.49 -174.85 2.64 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.174 -0.466 . . . . 75.15 110.909 179.831 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 8.1 ttpt -98.62 -25.52 14.69 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.214 -0.448 . . . . 74.53 110.915 179.858 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER . . . . . 0 C--N 1.328 -0.356 0 CA-C-N 116.219 -0.446 . . . . 74.05 110.904 179.894 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 1' ' ' MET . . . . . 0.502 ' N ' HD11 ' B' ' 59' ' ' LEU . 11.1 ttp . . . . . 0 C--O 1.231 0.083 0 CA-C-O 120.901 0.381 . . . . 74.42 110.865 . . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 2' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -114.24 -74.4 0.62 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.162 -0.472 . . . . 74.33 110.847 179.969 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' B' B ' 3' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -146.06 -74.58 0.22 Allowed 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.311 -0.404 . . . . 75.12 110.9 179.902 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' B' B ' 4' ' ' LEU . . . . . 0.771 HD22 ' O ' ' B' ' 4' ' ' LEU . 0.0 OUTLIER -140.71 4.86 1.95 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.25 -0.432 . . . . 72.3 110.877 179.946 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' B' B ' 5' ' ' ARG . . . . . 0.44 ' N ' HD13 ' B' ' 4' ' ' LEU . 3.5 mtt-85 -72.04 -29.88 64.62 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.195 -0.457 . . . . 75.31 110.828 179.973 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' B' B ' 6' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -54.88 -26.96 39.11 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.219 -0.446 . . . . 72.2 110.867 -179.964 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' B' B ' 7' ' ' GLU . . . . . . . . . . . . . 18.8 pt-20 -54.01 -32.61 54.76 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.107 -0.497 . . . . 71.22 110.869 -179.913 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 8' ' ' ALA . . . . . . . . . . . . . . . -74.74 -26.81 60.04 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.151 -0.477 . . . . 71.51 111.092 179.92 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 9' ' ' ALA . . . . . 0.596 ' CB ' ' HB1' ' B' ' 55' ' ' ALA . . . -73.6 -38.96 64.94 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.265 -0.425 . . . . 72.04 111.122 179.955 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' B' B ' 10' ' ' LYS . . . . . . . . . . . . . 1.6 mtpt -63.11 -29.81 71.1 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.176 -0.465 . . . . 72.11 110.906 179.933 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 11' ' ' LEU . . . . . . . . . . . . . 61.0 mt -51.67 -44.11 62.93 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.252 -0.431 . . . . 72.52 110.957 179.872 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 12' ' ' PHE . . . . . 0.587 ' O ' ' HB1' ' B' ' 48' ' ' ALA . 25.3 m-85 -74.21 -30.5 62.23 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.191 -0.459 . . . . 73.22 110.91 179.873 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' B' B ' 13' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -57.89 -42.21 84.16 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.134 -0.485 . . . . 61.34 110.912 -179.949 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' B' B ' 14' ' ' GLU . . . . . . . . . . . . . 12.7 mt-10 -75.22 -29.99 60.44 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.142 -0.481 . . . . 74.25 110.83 -179.93 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 15' ' ' TRP . . . . . . . . . . . . . 1.3 m0 -60.98 -46.15 91.93 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.216 -0.447 . . . . 73.53 110.947 -179.922 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 16' ' ' LYS . . . . . 0.72 ' HB3' ' HB3' ' B' ' 48' ' ' ALA . 5.1 ptmt -77.11 -25.32 52.05 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.222 -0.444 . . . . 74.42 110.852 179.901 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' B' B ' 17' ' ' LYS . . . . . . . . . . . . . 18.0 mmtt -71.7 -52.37 18.15 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.278 -0.419 . . . . 74.43 110.896 179.936 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 18' ' ' LEU . . . . . . . . . . . . . 19.7 mt -55.16 -32.62 62.28 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.236 -0.438 . . . . 73.34 110.928 179.889 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 19' ' ' ALA . . . . . 0.5 ' HB2' ' HB3' ' B' ' 44' ' ' ALA . . . -62.86 -21.86 66.28 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.219 -0.446 . . . . 62.35 111.178 179.75 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' B' B ' 20' ' ' GLU . . . . . . . . . . . . . 1.4 tp10 -73.02 -49.43 28.85 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.182 -0.463 . . . . 53.15 110.95 -179.973 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 21' ' ' GLU . . . . . . . . . . . . . 2.0 mm-40 -72.27 -49.21 36.6 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.118 -0.492 . . . . 73.13 110.925 -179.947 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 22' ' ' ALA . . . . . . . . . . . . . . . -56.39 -30.92 63.34 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.065 -0.516 . . . . 70.12 111.163 179.873 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 23' ' ' ALA . . . . . . . . . . . . . . . -70.96 -54.22 12.08 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.186 -0.461 . . . . 62.45 111.033 179.937 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 24' ' ' LYS . . . . . . . . . . . . . 1.4 ptpp? -62.74 -34.97 78.3 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.253 -0.43 . . . . 53.23 110.889 -179.996 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 25' ' ' LEU . . . . . 0.434 HD23 ' HA ' ' B' ' 25' ' ' LEU . 6.7 mt -76.51 -39.06 54.14 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.249 -0.432 . . . . 55.23 110.974 179.885 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' B' B ' 26' ' ' LEU . . . . . . . . . . . . . 2.7 mt -50.72 -49.07 58.57 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.173 -0.467 . . . . 71.12 110.915 179.92 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 27' ' ' GLU . . . . . . . . . . . . . 23.9 mt-10 -91.37 13.09 18.44 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.236 -0.438 . . . . 75.31 110.912 179.893 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 28' ' ' GLY . . . . . . . . . . . . . . . -73.9 60.62 2.15 Favored Glycine 0 N--CA 1.451 -0.332 0 C-N-CA 120.696 -0.764 . . . . 61.55 112.573 -179.958 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 29' ' ' GLY . . . . . . . . . . . . . . . 52.03 39.7 49.64 Favored Glycine 0 N--CA 1.451 -0.352 0 C-N-CA 120.704 -0.76 . . . . 34.14 112.467 -179.974 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 30' ' ' GLY . . . . . . . . . . . . . . . -90.34 -48.89 3.39 Favored Glycine 0 N--CA 1.451 -0.33 0 C-N-CA 120.8 -0.714 . . . . 54.54 112.469 -179.838 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 31' ' ' GLY . . . . . . . . . . . . . . . -156.67 -46.42 0.01 OUTLIER Glycine 0 N--CA 1.452 -0.296 0 C-N-CA 120.699 -0.763 . . . . 20.21 112.454 -179.93 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 32' ' ' GLY . . . . . . . . . . . . . . . -172.82 -111.92 0.27 Allowed Glycine 0 N--CA 1.451 -0.325 0 C-N-CA 120.694 -0.765 . . . . 74.23 112.445 -179.884 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 33' ' ' GLY . . . . . . . . . . . . . . . 73.46 116.84 0.07 OUTLIER Glycine 0 N--CA 1.451 -0.33 0 C-N-CA 120.753 -0.737 . . . . 72.42 112.562 -179.856 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 34' ' ' GLY . . . . . . . . . . . . . . . 169.57 84.53 0.06 OUTLIER Glycine 0 N--CA 1.451 -0.348 0 C-N-CA 120.758 -0.734 . . . . 35.23 112.469 -179.83 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 35' ' ' GLY . . . . . . . . . . . . . . . 142.72 -132.1 4.93 Favored Glycine 0 N--CA 1.45 -0.385 0 C-N-CA 120.726 -0.75 . . . . 62.22 112.431 -179.951 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 36' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -70.71 -34.74 72.26 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-O 120.917 0.389 . . . . 65.44 110.877 -179.837 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' B' B ' 37' ' ' LEU . . . . . 0.496 HD13 ' HG ' ' A' ' 54' ' ' LEU . 13.1 tp -52.08 -55.06 23.14 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.12 -0.491 . . . . 71.13 110.939 179.995 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' B' B ' 38' ' ' MET . . . . . . . . . . . . . 1.0 OUTLIER -69.72 -26.37 64.3 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.187 -0.46 . . . . 71.43 110.931 179.818 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' B' B ' 39' ' ' LYS . . . . . . . . . . . . . 6.2 tttp -55.19 -29.02 57.06 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.2 -0.454 . . . . 73.1 110.884 179.871 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 40' ' ' LEU . . . . . 0.558 ' HB2' HD21 ' A' ' 51' ' ' LEU . 13.3 mt -72.27 -26.76 62.11 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.223 -0.444 . . . . 73.14 110.966 179.962 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' B' B ' 41' ' ' CYS . . . . . . . . . . . . . 13.5 m -75.26 -43.58 50.61 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.187 -0.46 . . . . 65.23 110.839 179.873 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 42' ' ' GLU . . . . . . . . . . . . . 4.6 tt0 -55.69 -25.3 39.13 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.22 -0.445 . . . . 74.34 110.837 -179.842 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 43' ' ' GLU . . . . . . . . . . . . . 4.5 mm-40 -54.38 -33.41 59.16 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.154 -0.475 . . . . 70.1 110.851 -179.851 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 44' ' ' ALA . . . . . 0.5 ' HB3' ' HB2' ' B' ' 19' ' ' ALA . . . -51.41 -42.52 61.52 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.153 -0.476 . . . . 73.33 111.051 179.961 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' B' B ' 45' ' ' ALA . . . . . . . . . . . . . . . -75.47 -22.94 56.84 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.257 -0.429 . . . . 64.12 111.108 179.976 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 46' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -78.04 -49.51 13.87 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.25 -0.432 . . . . 75.25 110.961 179.919 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' B' B ' 47' ' ' LYS . . . . . . . . . . . . . 1.1 mptp? -55.73 -61.17 2.54 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.263 -0.426 . . . . 71.12 110.822 179.835 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 48' ' ' ALA . . . . . 0.72 ' HB3' ' HB3' ' B' ' 16' ' ' LYS . . . -54.62 -34.33 61.92 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.294 -0.412 . . . . 64.31 111.142 179.859 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' B' B ' 49' ' ' GLU . . . . . . . . . . . . . 3.9 tt0 -66.89 -43.0 84.58 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.215 -0.448 . . . . 71.12 110.823 -179.864 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 50' ' ' GLU . . . . . . . . . . . . . 18.0 mm-40 -73.03 -36.16 66.91 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.191 -0.459 . . . . 74.45 110.852 -179.911 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 51' ' ' LEU . . . . . 0.544 HD21 ' HB2' ' A' ' 40' ' ' LEU . 7.6 mt -72.97 -30.57 63.93 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.222 -0.445 . . . . 65.33 110.965 179.977 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' B' B ' 52' ' ' PHE . . . . . . . . . . . . . 82.1 t80 -57.12 -23.91 50.39 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.173 -0.467 . . . . 75.52 110.887 179.943 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 53' ' ' LYS . . . . . 0.575 ' HD2' HD22 ' B' ' 54' ' ' LEU . 0.1 OUTLIER -66.43 -47.94 71.59 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.178 -0.465 . . . . 74.43 110.961 179.912 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' B' B ' 54' ' ' LEU . . . . . 0.749 ' HG ' HD13 ' A' ' 37' ' ' LEU . 1.3 mm? -69.29 -25.59 64.32 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.259 -0.428 . . . . 74.33 110.932 179.864 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' B' B ' 55' ' ' ALA . . . . . 0.596 ' HB1' ' CB ' ' B' ' 9' ' ' ALA . . . -55.35 -26.95 44.06 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.207 -0.451 . . . . 75.11 111.078 179.762 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' B' B ' 56' ' ' GLU . . . . . . . . . . . . . 3.2 mm-40 -76.46 -30.85 57.49 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.205 -0.452 . . . . 74.32 110.872 -179.895 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 57' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -60.57 -44.62 95.99 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.168 -0.469 . . . . 73.54 110.872 -179.931 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' B' B ' 58' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -79.39 -25.67 42.1 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.154 -0.475 . . . . 64.21 110.857 -179.899 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' B' B ' 59' ' ' LEU . . . . . 0.502 HD11 ' N ' ' B' ' 1' ' ' MET . 3.4 tm? -83.93 -73.36 0.42 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.19 -0.459 . . . . 74.42 110.933 -179.942 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' B' B ' 60' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -103.66 -174.77 2.62 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.165 -0.47 . . . . 70.05 110.848 179.839 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' B' B ' 61' ' ' LYS . . . . . . . . . . . . . 8.1 ttpt -98.33 -25.45 14.83 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.203 -0.453 . . . . 74.04 110.832 179.886 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 62' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER . . . . . 0 C--N 1.328 -0.357 0 CA-C-N 116.243 -0.435 . . . . 74.21 110.914 179.962 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 4.0 pttt . . . . . 0 C--O 1.231 0.115 0 CA-C-O 120.804 0.335 . . . . 75.15 110.946 . . . . . . . . . 0 0 . 1 . 016 nuclear build core ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -137.32 -74.42 0.42 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.229 -0.441 . . . . 75.34 110.838 179.866 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 4' ' ' LEU . . . . . 0.77 ' O ' HD22 ' A' ' 4' ' ' LEU . 0.0 OUTLIER -140.51 4.57 1.97 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.282 -0.417 . . . . 72.15 110.916 179.982 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 5' ' ' ARG . . . . . 0.453 ' N ' HD13 ' A' ' 4' ' ' LEU . 97.4 mtt180 -71.59 -38.63 70.87 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.218 -0.447 . . . . 75.05 110.868 179.945 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 6' ' ' GLU . . . . . 0.819 ' HA ' HD22 ' A' ' 59' ' ' LEU . 0.2 OUTLIER -53.63 -27.95 30.07 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.148 -0.478 . . . . 71.44 110.845 -179.894 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 16.9 mt-10 -53.81 -34.09 58.08 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.183 -0.462 . . . . 60.12 110.903 -179.959 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -76.12 -26.99 56.91 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.201 -0.454 . . . . 52.32 111.064 179.966 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 9' ' ' ALA . . . . . 0.828 ' HB2' HD13 ' A' ' 59' ' ' LEU . . . -57.17 -42.26 80.8 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.183 -0.462 . . . . 52.02 111.063 179.974 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 11.8 mttm -55.88 -34.66 65.71 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.177 -0.465 . . . . 53.24 110.871 -179.998 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 35.5 mt -52.1 -43.73 64.07 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.258 -0.428 . . . . 64.1 110.946 179.939 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 21.6 m-85 -74.13 -24.66 59.47 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.185 -0.461 . . . . 74.31 110.913 179.912 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -53.58 -35.01 60.35 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.076 -0.511 . . . . 75.12 110.959 -179.975 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 5.9 mt-10 -63.87 -33.86 76.65 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.111 -0.495 . . . . 71.03 110.872 -179.923 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 15' ' ' TRP . . . . . 0.59 ' HB3' ' HB2' ' A' ' 48' ' ' ALA . 2.8 t90 -65.09 -47.55 76.84 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.108 -0.496 . . . . 72.13 110.889 -179.962 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 4.9 ptmt -75.52 -27.37 58.69 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.209 -0.451 . . . . 64.43 110.861 179.983 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER -75.17 -58.5 3.25 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.278 -0.419 . . . . 54.24 110.924 179.875 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 17.0 mt -55.68 -26.0 42.66 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.272 -0.422 . . . . 74.33 110.905 179.915 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 19' ' ' ALA . . . . . 0.71 ' HB1' ' HB2' ' A' ' 45' ' ' ALA . . . -71.86 -25.74 62.07 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.141 -0.481 . . . . 72.15 111.047 179.801 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 1.2 mt-10 -73.44 -49.29 27.68 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.262 -0.426 . . . . 75.55 110.871 -179.87 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 2.6 mm-40 -72.92 -51.14 19.7 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.157 -0.474 . . . . 64.22 110.874 -179.927 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -54.25 -30.63 51.05 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.14 -0.482 . . . . 65.11 111.095 179.949 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -70.82 -54.26 12.23 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.248 -0.433 . . . . 74.14 111.143 179.873 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 6.1 ptmm? -63.91 -33.84 76.62 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.196 -0.456 . . . . 72.23 110.9 179.931 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 5.6 mt -76.68 -39.89 50.66 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.228 -0.442 . . . . 75.21 110.962 179.901 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 3.1 mt -50.76 -49.8 57.2 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.186 -0.461 . . . . 73.51 110.905 179.889 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 24.8 mt-10 -90.96 12.47 19.52 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.241 -0.436 . . . . 71.53 110.832 179.954 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . -58.59 -15.21 24.62 Favored Glycine 0 N--CA 1.451 -0.341 0 C-N-CA 120.726 -0.75 . . . . 63.35 112.507 -179.952 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . 140.02 49.99 0.05 OUTLIER Glycine 0 N--CA 1.452 -0.267 0 C-N-CA 120.755 -0.736 . . . . 32.24 112.515 -179.904 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . -94.15 46.88 2.21 Favored Glycine 0 N--CA 1.452 -0.295 0 C-N-CA 120.808 -0.71 . . . . 62.03 112.542 -179.949 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . 52.03 -167.46 0.82 Allowed Glycine 0 N--CA 1.451 -0.346 0 C-N-CA 120.758 -0.734 . . . . 75.43 112.504 -179.879 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . -126.09 122.66 4.54 Favored Glycine 0 N--CA 1.451 -0.31 0 C-N-CA 120.77 -0.729 . . . . 74.13 112.498 -179.94 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -179.57 32.74 0.06 OUTLIER Glycine 0 N--CA 1.451 -0.308 0 C-N-CA 120.743 -0.741 . . . . 41.21 112.55 -179.974 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 34' ' ' GLY . . . . . 0.633 ' HA3' HD23 ' A' ' 37' ' ' LEU . . . -159.19 -65.29 0.01 OUTLIER Glycine 0 N--CA 1.452 -0.279 0 C-N-CA 120.755 -0.736 . . . . 52.24 112.492 -179.913 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 74.55 -87.25 0.72 Allowed Glycine 0 N--CA 1.45 -0.378 0 C-N-CA 120.713 -0.756 . . . . 65.12 112.483 -179.931 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 29.0 tt0 -57.78 -20.26 34.05 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.884 0.373 . . . . 72.42 110.873 -179.909 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 37' ' ' LEU . . . . . 0.64 HD13 ' NH2' ' B' ' 58' ' ' ARG . 0.4 OUTLIER -50.85 -27.73 8.01 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.197 -0.456 . . . . 73.23 110.94 179.979 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 38' ' ' MET . . . . . . . . . . . . . 0.6 OUTLIER -61.75 -38.94 89.83 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.235 -0.439 . . . . 74.42 110.895 179.82 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 8.6 tttt -56.63 -27.96 59.5 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.173 -0.467 . . . . 74.21 110.933 179.924 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 3.7 mt -73.99 -39.75 63.43 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.207 -0.451 . . . . 53.2 110.977 179.884 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 41' ' ' CYS . . . . . . . . . . . . . 17.2 m -72.52 -35.37 68.07 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.154 -0.476 . . . . 61.4 110.834 179.935 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -63.71 -25.46 68.21 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.191 -0.459 . . . . 64.22 110.884 -179.835 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 2.3 mt-10 -54.49 -40.88 68.94 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.215 -0.448 . . . . 70.24 110.87 -179.948 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 44' ' ' ALA . . . . . 0.468 ' HB2' ' CZ3' ' B' ' 15' ' ' TRP . . . -51.4 -42.47 61.45 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.162 -0.472 . . . . 63.32 111.163 179.875 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 45' ' ' ALA . . . . . 0.71 ' HB2' ' HB1' ' A' ' 19' ' ' ALA . . . -75.55 -22.77 56.76 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.185 -0.461 . . . . 62.12 111.092 179.984 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 3.9 tttt -76.23 -46.61 27.35 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.192 -0.458 . . . . 75.42 110.875 179.979 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 7.2 mmpt? -54.14 -55.03 31.69 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.19 -0.459 . . . . 72.23 110.887 179.89 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 48' ' ' ALA . . . . . 0.59 ' HB2' ' HB3' ' A' ' 15' ' ' TRP . . . -54.95 -37.99 67.17 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.19 -0.459 . . . . 73.42 111.089 179.849 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 1.1 tp10 -61.22 -40.07 92.62 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.204 -0.453 . . . . 74.2 110.874 -179.946 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 4.3 mt-10 -73.96 -43.74 57.2 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.194 -0.457 . . . . 73.35 110.903 -179.923 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 4.1 mt -62.88 -57.49 10.65 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.124 -0.489 . . . . 65.41 110.939 -179.946 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 52' ' ' PHE . . . . . . . . . . . . . 33.2 t80 -55.3 -29.4 58.16 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.162 -0.472 . . . . 74.14 110.904 179.869 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 7.7 tptp -54.55 -59.18 5.04 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.175 -0.466 . . . . 64.3 110.959 179.958 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 54' ' ' LEU . . . . . . . . . . . . . 4.4 mm? -75.57 -25.57 57.18 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.278 -0.419 . . . . 63.52 110.922 179.879 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -56.01 -31.5 63.12 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.123 -0.49 . . . . 53.51 111.081 179.814 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 56' ' ' GLU . . . . . 0.451 ' HB2' HD11 ' A' ' 62' ' ' LEU . 1.4 mt-10 -61.9 -28.54 69.59 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.203 -0.453 . . . . 71.02 110.894 -179.93 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 71.7 tt0 -73.51 -46.41 48.02 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.165 -0.47 . . . . 71.45 110.895 -179.932 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -79.57 -13.16 59.72 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.176 -0.465 . . . . 74.23 110.878 -179.969 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 59' ' ' LEU . . . . . 0.828 HD13 ' HB2' ' A' ' 9' ' ' ALA . 46.7 mt -106.72 -6.9 17.53 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.179 -0.464 . . . . 74.23 110.912 -179.943 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -146.14 -165.58 2.25 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.172 -0.467 . . . . 74.24 110.919 179.903 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 13.8 tttt -93.36 -54.01 3.85 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.251 -0.431 . . . . 61.4 110.894 179.786 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 62' ' ' LEU . . . . . 0.451 HD11 ' HB2' ' A' ' 56' ' ' GLU . 12.4 mt . . . . . 0 C--N 1.329 -0.318 0 CA-C-N 116.239 -0.437 . . . . 72.21 110.965 -179.971 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 1' ' ' MET . . . . . . . . . . . . . 0.9 OUTLIER . . . . . 0 C--O 1.231 0.083 0 CA-C-O 120.826 0.346 . . . . 72.32 110.885 . . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 2' ' ' LYS . . . . . . . . . . . . . 4.0 pttt -174.19 161.83 3.6 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.213 -0.449 . . . . 75.33 110.904 179.958 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 3' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -137.55 -74.55 0.41 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.185 -0.462 . . . . 62.12 110.851 179.842 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' B' B ' 4' ' ' LEU . . . . . 0.773 HD22 ' O ' ' B' ' 4' ' ' LEU . 0.0 OUTLIER -140.32 4.49 2.01 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.197 -0.456 . . . . 73.5 110.902 179.994 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' B' B ' 5' ' ' ARG . . . . . 0.469 ' HB3' HD23 ' B' ' 59' ' ' LEU . 97.3 mtt180 -71.42 -38.55 71.4 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.219 -0.446 . . . . 53.05 110.877 179.953 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' B' B ' 6' ' ' GLU . . . . . 0.828 ' HA ' HD22 ' B' ' 59' ' ' LEU . 0.3 OUTLIER -53.48 -27.92 27.89 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.142 -0.481 . . . . 71.43 110.938 -179.966 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' B' B ' 7' ' ' GLU . . . . . . . . . . . . . 16.9 mt-10 -53.72 -34.23 58.2 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.104 -0.498 . . . . 63.04 110.921 -179.964 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 8' ' ' ALA . . . . . . . . . . . . . . . -75.58 -26.97 58.35 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.144 -0.48 . . . . 52.41 111.074 179.983 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 9' ' ' ALA . . . . . 0.808 ' HB2' HD13 ' B' ' 59' ' ' LEU . . . -57.49 -42.33 82.5 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.255 -0.429 . . . . 54.3 111.132 179.97 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' B' B ' 10' ' ' LYS . . . . . . . . . . . . . 12.0 mttm -55.95 -33.96 65.23 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.294 -0.412 . . . . 74.51 110.934 179.92 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 11' ' ' LEU . . . . . . . . . . . . . 41.5 mt -51.67 -42.87 62.46 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.212 -0.449 . . . . 74.44 110.996 179.868 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 12' ' ' PHE . . . . . 0.544 ' CE1' HD13 ' B' ' 51' ' ' LEU . 24.8 m-85 -74.22 -29.0 61.51 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.16 -0.473 . . . . 75.5 110.952 179.887 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' B' B ' 13' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -58.6 -46.46 86.95 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.07 -0.514 . . . . 61.21 110.877 -179.925 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' B' B ' 14' ' ' GLU . . . . . . . . . . . . . 6.3 mt-10 -75.17 -27.99 59.9 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.175 -0.466 . . . . 74.25 110.84 -179.94 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 15' ' ' TRP . . . . . 0.468 ' CZ3' ' HB2' ' A' ' 44' ' ' ALA . 2.6 m0 -55.84 -55.36 33.42 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.178 -0.465 . . . . 72.52 110.895 -179.89 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' B' B ' 16' ' ' LYS . . . . . 0.711 ' HB3' ' HB3' ' B' ' 48' ' ' ALA . 4.8 ptmt -71.78 -19.64 61.98 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.186 -0.461 . . . . 75.35 110.929 179.972 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' B' B ' 17' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -70.75 -53.79 14.19 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.176 -0.465 . . . . 63.5 110.88 179.907 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' B' B ' 18' ' ' LEU . . . . . . . . . . . . . 21.8 mt -55.8 -26.28 45.53 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.215 -0.448 . . . . 61.11 110.946 179.9 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 19' ' ' ALA . . . . . . . . . . . . . . . -72.98 -25.65 61.07 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.206 -0.452 . . . . 52.32 111.103 179.775 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 20' ' ' GLU . . . . . . . . . . . . . 1.1 mt-10 -73.19 -49.35 28.53 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.234 -0.439 . . . . 72.02 110.905 -179.933 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 21' ' ' GLU . . . . . . . . . . . . . 2.6 mm-40 -72.71 -51.16 20.43 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.137 -0.483 . . . . 70.22 110.972 179.995 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 22' ' ' ALA . . . . . . . . . . . . . . . -54.25 -30.64 51.16 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.119 -0.492 . . . . 71.51 111.109 179.933 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 23' ' ' ALA . . . . . . . . . . . . . . . -70.81 -54.23 12.38 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.197 -0.456 . . . . 64.21 111.124 179.881 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 24' ' ' LYS . . . . . . . . . . . . . 6.1 ptmm? -64.01 -33.87 76.73 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.168 -0.469 . . . . 65.41 110.912 179.943 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 25' ' ' LEU . . . . . 0.429 HD23 ' HA ' ' B' ' 25' ' ' LEU . 5.7 mt -76.7 -39.64 51.34 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.229 -0.441 . . . . 64.42 110.938 179.896 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' B' B ' 26' ' ' LEU . . . . . . . . . . . . . 3.0 mt -50.66 -50.18 55.28 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.231 -0.44 . . . . 72.41 110.95 179.876 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 27' ' ' GLU . . . . . . . . . . . . . 23.9 mt-10 -90.98 12.11 20.72 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.197 -0.456 . . . . 53.13 110.857 179.924 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 28' ' ' GLY . . . . . . . . . . . . . . . -58.91 -15.03 26.34 Favored Glycine 0 N--CA 1.45 -0.411 0 C-N-CA 120.768 -0.729 . . . . 70.24 112.54 -179.951 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 29' ' ' GLY . . . . . . . . . . . . . . . 135.74 42.72 0.11 Allowed Glycine 0 N--CA 1.452 -0.267 0 C-N-CA 120.729 -0.748 . . . . 72.01 112.483 -179.919 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 30' ' ' GLY . . . . . . . . . . . . . . . -101.75 54.83 0.76 Allowed Glycine 0 N--CA 1.451 -0.33 0 C-N-CA 120.697 -0.763 . . . . 62.43 112.442 -179.905 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 31' ' ' GLY . . . . . . . . . . . . . . . 58.95 -143.58 45.43 Favored Glycine 0 N--CA 1.452 -0.3 0 C-N-CA 120.777 -0.725 . . . . 63.33 112.431 -179.925 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 32' ' ' GLY . . . . . . . . . . . . . . . -100.75 119.52 6.55 Favored Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 120.732 -0.747 . . . . 53.53 112.461 -179.873 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 33' ' ' GLY . . . . . 0.434 ' O ' HD21 ' B' ' 37' ' ' LEU . . . 174.21 34.24 0.04 OUTLIER Glycine 0 N--CA 1.452 -0.275 0 C-N-CA 120.717 -0.754 . . . . 63.05 112.525 -179.886 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' B' B ' 34' ' ' GLY . . . . . . . . . . . . . . . -149.03 -92.43 0.1 Allowed Glycine 0 N--CA 1.451 -0.361 0 C-N-CA 120.719 -0.753 . . . . 44.33 112.54 -179.894 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 35' ' ' GLY . . . . . . . . . . . . . . . 50.66 -124.84 20.95 Favored Glycine 0 N--CA 1.451 -0.31 0 C-N-CA 120.713 -0.756 . . . . 72.14 112.5 -179.963 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 36' ' ' GLU . . . . . . . . . . . . . 32.3 tt0 -76.39 -25.29 54.41 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-O 120.904 0.383 . . . . 70.13 110.867 -179.889 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 37' ' ' LEU . . . . . 0.531 ' O ' HD12 ' B' ' 37' ' ' LEU . 0.3 OUTLIER -60.65 -22.8 64.23 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.102 -0.499 . . . . 75.23 110.93 -179.963 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' B' B ' 38' ' ' MET . . . . . . . . . . . . . 0.6 OUTLIER -55.21 -25.89 35.91 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.246 -0.434 . . . . 71.23 110.844 179.881 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' B' B ' 39' ' ' LYS . . . . . . . . . . . . . 8.8 tttt -53.64 -27.93 30.05 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.234 -0.439 . . . . 71.45 110.889 179.949 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 40' ' ' LEU . . . . . . . . . . . . . 3.7 mt -71.21 -36.12 71.78 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.217 -0.447 . . . . 61.45 110.89 179.947 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 41' ' ' CYS . . . . . . . . . . . . . 14.6 m -71.66 -34.26 69.58 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.212 -0.449 . . . . 72.41 110.867 179.941 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 42' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -59.54 -24.9 64.08 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.213 -0.449 . . . . 62.24 110.901 -179.869 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' B' B ' 43' ' ' GLU . . . . . . . . . . . . . 2.4 mt-10 -54.06 -37.43 64.17 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.126 -0.488 . . . . 64.51 110.843 -179.956 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 44' ' ' ALA . . . . . 0.459 ' HB2' ' CH2' ' A' ' 15' ' ' TRP . . . -51.44 -42.81 61.79 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.173 -0.467 . . . . 65.34 111.059 179.958 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' B' B ' 45' ' ' ALA . . . . . . . . . . . . . . . -75.59 -22.79 56.6 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.237 -0.438 . . . . 62.25 111.164 179.953 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 46' ' ' LYS . . . . . . . . . . . . . 3.9 tttt -78.06 -43.28 29.7 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.168 -0.469 . . . . 75.22 111.005 179.83 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 47' ' ' LYS . . . . . . . . . . . . . 7.3 mmpt? -54.66 -56.63 17.12 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.242 -0.435 . . . . 75.11 110.85 179.879 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 48' ' ' ALA . . . . . 0.711 ' HB3' ' HB3' ' B' ' 16' ' ' LYS . . . -56.8 -38.46 72.59 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.211 -0.449 . . . . 73.31 111.076 179.847 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' B' B ' 49' ' ' GLU . . . . . . . . . . . . . 1.1 tp10 -62.84 -41.57 99.4 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.189 -0.459 . . . . 71.4 110.895 -179.931 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 50' ' ' GLU . . . . . . . . . . . . . 4.4 mt-10 -74.11 -42.86 59.4 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.153 -0.476 . . . . 70.23 110.888 -179.92 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 51' ' ' LEU . . . . . 0.544 HD13 ' CE1' ' B' ' 12' ' ' PHE . 3.5 mt -62.14 -51.06 69.4 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.161 -0.472 . . . . 71.43 110.958 179.978 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' B' B ' 52' ' ' PHE . . . . . . . . . . . . . 33.1 t80 -53.94 -31.29 49.9 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.165 -0.471 . . . . 74.22 110.853 179.943 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 53' ' ' LYS . . . . . . . . . . . . . 8.0 tptp -56.51 -59.68 4.64 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.182 -0.463 . . . . 60.23 110.888 -179.975 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 54' ' ' LEU . . . . . . . . . . . . . 4.4 mm? -75.54 -24.08 56.7 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.263 -0.426 . . . . 62.04 110.928 179.884 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 55' ' ' ALA . . . . . . . . . . . . . . . -56.97 -32.6 66.22 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.199 -0.455 . . . . 62.22 111.116 179.796 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 56' ' ' GLU . . . . . 0.46 ' HB2' HD11 ' B' ' 62' ' ' LEU . 1.4 mt-10 -59.9 -28.16 67.34 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.197 -0.456 . . . . 65.03 110.869 -179.846 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' B' B ' 57' ' ' GLU . . . . . . . . . . . . . 71.9 tt0 -73.42 -46.88 45.94 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.147 -0.479 . . . . 71.32 110.882 -179.95 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 58' ' ' ARG . . . . . 0.64 ' NH2' HD13 ' A' ' 37' ' ' LEU . 0.1 OUTLIER -79.52 -12.83 59.85 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.148 -0.478 . . . . 74.04 110.919 -179.968 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' B' B ' 59' ' ' LEU . . . . . 0.828 HD22 ' HA ' ' B' ' 6' ' ' GLU . 40.3 mt -106.61 -7.29 17.47 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.17 -0.468 . . . . 62.13 110.878 -179.984 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' B' B ' 60' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -145.99 -165.48 2.21 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.203 -0.453 . . . . 55.32 110.92 179.804 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' B' B ' 61' ' ' LYS . . . . . . . . . . . . . 13.7 tttt -92.99 -54.49 3.71 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.237 -0.438 . . . . 72.04 110.871 179.943 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 62' ' ' LEU . . . . . 0.46 HD11 ' HB2' ' B' ' 56' ' ' GLU . 12.5 mt . . . . . 0 C--N 1.328 -0.347 0 CA-C-N 116.222 -0.444 . . . . 74.13 110.88 179.869 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.231 0.111 0 CA-C-O 120.817 0.341 . . . . 75.12 110.929 . . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -179.37 -52.17 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.258 -0.428 . . . . 65.31 110.927 179.85 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER 176.91 -31.77 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.176 -0.466 . . . . 71.3 110.875 179.872 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 7.4 mtt180 -68.72 -24.32 64.46 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.186 -0.461 . . . . 54.32 110.854 179.958 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -54.22 -26.91 31.07 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.25 -0.432 . . . . 65.52 110.822 -179.908 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 12.1 mt-10 -54.47 -31.08 55.03 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.212 -0.449 . . . . 73.42 110.844 -179.919 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -73.89 -27.06 60.87 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.238 -0.437 . . . . 71.15 111.101 179.891 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 9' ' ' ALA . . . . . 0.741 ' HB2' HD23 ' A' ' 59' ' ' LEU . . . -58.16 -50.49 73.34 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.225 -0.443 . . . . 72.13 111.097 179.965 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 1.6 mtpp -55.98 -44.28 78.39 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.17 -0.468 . . . . 63.24 110.863 179.991 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 17.9 mt -51.66 -40.58 60.27 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.29 -0.414 . . . . 74.21 110.957 179.896 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 12' ' ' PHE . . . . . 0.601 ' CG ' HD11 ' A' ' 51' ' ' LEU . 24.2 m-85 -74.32 -26.93 60.46 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.198 -0.455 . . . . 54.34 110.892 179.921 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 5.2 tt0 -53.98 -27.75 33.49 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.144 -0.48 . . . . 73.44 110.867 -179.921 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 6.9 mt-10 -73.29 -33.19 65.07 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.136 -0.484 . . . . 70.44 110.812 -179.868 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 15' ' ' TRP . . . . . 0.607 ' CH2' ' HB2' ' B' ' 44' ' ' ALA . 2.9 t90 -64.44 -46.08 84.7 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 116.237 -0.438 . . . . 63.44 110.951 -179.994 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -77.44 -27.93 52.33 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.174 -0.466 . . . . 73.32 110.882 179.924 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 17.1 mmtt -75.23 -62.37 1.58 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.246 -0.434 . . . . 72.45 110.919 179.857 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 3.7 mt -56.5 -24.7 48.01 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.212 -0.449 . . . . 52.02 110.913 179.943 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 19' ' ' ALA . . . . . 0.62 ' HB1' ' HB2' ' A' ' 45' ' ' ALA . . . -72.88 -29.46 63.2 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.156 -0.475 . . . . 70.5 111.124 179.796 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 3.8 tp10 -73.32 -49.75 25.75 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.221 -0.445 . . . . 74.22 110.887 -179.964 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 9.7 pt-20 -57.42 -46.66 83.28 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.16 -0.473 . . . . 72.33 110.915 -179.943 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -63.77 -32.62 74.18 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.114 -0.494 . . . . 71.05 111.096 179.905 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -70.61 -47.99 57.35 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.267 -0.424 . . . . 71.22 111.063 179.97 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -67.2 -36.34 81.53 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.228 -0.442 . . . . 72.12 110.905 -179.997 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 25' ' ' LEU . . . . . 0.437 HD23 ' HA ' ' A' ' 25' ' ' LEU . 10.5 mt -76.54 -37.8 56.08 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.191 -0.459 . . . . 64.43 110.974 179.909 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 4.0 mt -50.51 -49.87 54.5 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.112 -0.495 . . . . 75.15 110.884 179.888 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 40.8 mt-10 -93.55 12.47 25.09 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.224 -0.443 . . . . 70.53 110.92 179.932 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . -59.65 -14.29 28.23 Favored Glycine 0 N--CA 1.45 -0.383 0 C-N-CA 120.724 -0.751 . . . . 73.43 112.52 179.982 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . 135.13 43.66 0.11 Allowed Glycine 0 N--CA 1.45 -0.415 0 C-N-CA 120.775 -0.726 . . . . 64.13 112.517 -179.899 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . -113.52 -84.61 1.32 Allowed Glycine 0 N--CA 1.451 -0.345 0 C-N-CA 120.759 -0.734 . . . . 34.22 112.476 -179.868 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . 161.07 168.45 22.97 Favored Glycine 0 N--CA 1.45 -0.391 0 C-N-CA 120.778 -0.725 . . . . 72.23 112.464 -179.968 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . -159.08 166.98 34.78 Favored Glycine 0 N--CA 1.452 -0.296 0 C-N-CA 120.708 -0.758 . . . . 44.42 112.516 -179.87 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -112.53 117.28 4.29 Favored Glycine 0 N--CA 1.451 -0.305 0 C-N-CA 120.747 -0.739 . . . . 33.23 112.513 -179.948 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 60.37 -125.29 38.27 Favored Glycine 0 N--CA 1.451 -0.304 0 C-N-CA 120.757 -0.735 . . . . 33.31 112.54 -179.855 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . -150.02 -65.46 0.01 OUTLIER Glycine 0 N--CA 1.45 -0.421 0 C-N-CA 120.776 -0.726 . . . . 64.31 112.545 -179.922 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 41.5 tt0 -53.21 -34.88 58.92 Favored 'General case' 0 C--N 1.33 -0.283 0 CA-C-O 120.843 0.354 . . . . 72.44 110.83 -179.88 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 5.9 tp -54.8 -58.13 8.78 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.122 -0.49 . . . . 51.4 110.862 -179.935 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 38' ' ' MET . . . . . . . . . . . . . 14.1 ttm -70.95 -27.3 63.65 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.182 -0.463 . . . . 63.53 110.881 179.828 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 2.5 tttt -54.89 -28.36 49.92 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.284 -0.416 . . . . 72.42 110.916 179.944 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 8.7 mt -54.52 -42.37 70.78 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.233 -0.439 . . . . 75.22 110.863 179.922 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 41' ' ' CYS . . . . . 0.569 ' SG ' HD13 ' B' ' 51' ' ' LEU . 15.6 m -74.84 -41.19 60.35 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.178 -0.465 . . . . 61.11 110.9 179.93 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -55.54 -24.83 34.36 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.161 -0.472 . . . . 75.1 110.887 -179.833 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 1.9 mm-40 -54.5 -24.82 22.12 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.131 -0.486 . . . . 72.32 110.923 179.997 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 44' ' ' ALA . . . . . 0.625 ' HB2' ' CH2' ' B' ' 15' ' ' TRP . . . -51.32 -44.31 61.92 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.135 -0.484 . . . . 52.14 111.091 179.949 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 45' ' ' ALA . . . . . 0.62 ' HB2' ' HB1' ' A' ' 19' ' ' ALA . . . -75.19 -22.98 57.62 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.215 -0.448 . . . . 64.33 111.163 179.934 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 8.0 mttp -76.43 -49.9 15.49 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.181 -0.463 . . . . 75.15 110.85 179.984 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 47' ' ' LYS . . . . . 0.55 ' O ' HD23 ' A' ' 51' ' ' LEU . 7.0 mmtp -70.17 -26.92 64.14 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.24 -0.436 . . . . 74.12 110.923 179.858 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 48' ' ' ALA . . . . . 0.411 ' HB2' ' CG ' ' A' ' 15' ' ' TRP . . . -67.88 -50.19 57.79 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.242 -0.436 . . . . 50.24 111.123 179.824 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 5.7 tt0 -77.27 -27.92 53.33 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.206 -0.452 . . . . 62.12 110.919 -179.994 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 62.1 tt0 -66.61 -51.25 58.39 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.178 -0.465 . . . . 61.22 110.875 -179.905 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 51' ' ' LEU . . . . . 0.601 HD11 ' CG ' ' A' ' 12' ' ' PHE . 2.2 pp -73.31 -36.06 66.19 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.178 -0.464 . . . . 73.23 110.888 -179.952 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 52' ' ' PHE . . . . . . . . . . . . . 75.8 t80 -64.05 -24.44 67.71 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.163 -0.471 . . . . 73.15 110.87 179.952 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -65.69 -59.25 4.11 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.201 -0.454 . . . . 71.54 110.866 179.979 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 54' ' ' LEU . . . . . . . . . . . . . 4.5 mm? -75.12 -24.41 58.04 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.196 -0.456 . . . . 71.25 110.928 179.931 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 55' ' ' ALA . . . . . 0.436 ' O ' HD13 ' A' ' 59' ' ' LEU . . . -55.74 -24.98 38.24 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.127 -0.488 . . . . 72.45 111.07 179.875 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 56' ' ' GLU . . . . . 0.41 ' HB2' HD12 ' A' ' 62' ' ' LEU . 3.6 mt-10 -77.02 -28.6 55.01 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.251 -0.432 . . . . 62.24 110.843 -179.917 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 2.6 tt0 -65.19 -44.07 89.6 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.197 -0.456 . . . . 63.13 110.944 -179.912 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 1.2 mtt180 -78.51 -29.65 46.72 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.086 -0.506 . . . . 71.42 110.915 -179.955 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 59' ' ' LEU . . . . . 0.741 HD23 ' HB2' ' A' ' 9' ' ' ALA . 5.2 mp -77.72 -64.01 1.25 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.2 -0.454 . . . . 74.01 110.962 -179.984 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -116.17 -79.09 0.58 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.244 -0.435 . . . . 70.43 110.952 179.778 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 6.0 ptmt 178.01 -35.63 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.279 -0.419 . . . . 71.12 110.877 179.779 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 62' ' ' LEU . . . . . 0.41 HD12 ' HB2' ' A' ' 56' ' ' GLU . 0.4 OUTLIER . . . . . 0 C--N 1.328 -0.334 0 CA-C-N 116.265 -0.425 . . . . 64.52 110.89 179.887 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' B' B ' 1' ' ' MET . . . . . . . . . . . . . 6.7 mtt . . . . . 0 C--O 1.231 0.102 0 CA-C-O 120.84 0.353 . . . . 71.32 110.847 . . . . . . . . . 0 0 . 1 . 017 nuclear build core ' B' B ' 2' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -153.62 -167.02 2.56 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.213 -0.449 . . . . 71.02 110.937 179.942 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' B' B ' 3' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -179.39 -52.17 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.277 -0.42 . . . . 72.04 110.925 179.854 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' B' B ' 4' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER 176.77 -31.57 0.0 OUTLIER 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.266 -0.425 . . . . 75.01 110.96 179.874 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' B' B ' 5' ' ' ARG . . . . . . . . . . . . . 7.5 mtt180 -68.05 -25.33 65.31 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.209 -0.45 . . . . 73.33 110.89 179.89 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 6' ' ' GLU . . . . . . . . . . . . . 1.1 mt-10 -53.96 -27.88 34.03 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.159 -0.473 . . . . 74.54 110.882 -179.928 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 7' ' ' GLU . . . . . . . . . . . . . 12.0 mt-10 -54.49 -31.06 55.2 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.166 -0.47 . . . . 64.32 110.946 -179.96 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 8' ' ' ALA . . . . . . . . . . . . . . . -73.52 -27.23 61.25 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.229 -0.441 . . . . 73.23 111.105 179.909 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 9' ' ' ALA . . . . . 0.724 ' HB2' HD23 ' B' ' 59' ' ' LEU . . . -58.36 -50.07 74.95 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.259 -0.428 . . . . 60.51 111.055 179.938 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' B' B ' 10' ' ' LYS . . . . . . . . . . . . . 1.5 mtpp -56.26 -43.83 79.12 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.25 -0.432 . . . . 74.31 110.943 179.94 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 11' ' ' LEU . . . . . . . . . . . . . 18.9 mt -51.58 -40.6 60.09 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.236 -0.438 . . . . 50.35 110.907 179.863 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 12' ' ' PHE . . . . . 0.65 ' CG ' HD11 ' B' ' 51' ' ' LEU . 25.6 m-85 -74.29 -27.14 60.59 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.187 -0.46 . . . . 74.4 110.865 179.983 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' B' B ' 13' ' ' GLU . . . . . . . . . . . . . 5.2 tt0 -55.84 -27.68 52.66 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.17 -0.468 . . . . 74.35 110.919 -179.996 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 14' ' ' GLU . . . . . . . . . . . . . 7.3 mt-10 -74.06 -34.97 64.23 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.201 -0.454 . . . . 73.32 110.875 -179.906 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 15' ' ' TRP . . . . . 0.625 ' CH2' ' HB2' ' A' ' 44' ' ' ALA . 5.1 t90 -63.62 -44.98 92.34 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.142 -0.481 . . . . 72.44 110.932 179.972 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' B' B ' 16' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -77.71 -28.58 50.95 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.314 -0.403 . . . . 74.11 110.96 179.903 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' B' B ' 17' ' ' LYS . . . . . . . . . . . . . 16.2 mmtt -74.31 -62.65 1.44 Allowed 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.187 -0.46 . . . . 74.22 110.922 179.766 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 18' ' ' LEU . . . . . 0.442 HD23 ' OE2' ' B' ' 21' ' ' GLU . 4.6 mt -56.33 -24.63 45.09 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.155 -0.475 . . . . 63.44 110.943 179.95 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' B' B ' 19' ' ' ALA . . . . . 0.529 ' HB1' ' HB2' ' B' ' 45' ' ' ALA . . . -73.03 -29.33 62.92 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.184 -0.462 . . . . 62.24 111.012 179.88 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' B' B ' 20' ' ' GLU . . . . . . . . . . . . . 3.8 tp10 -73.42 -49.8 25.11 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.315 -0.402 . . . . 74.44 110.889 -179.919 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 21' ' ' GLU . . . . . 0.442 ' OE2' HD23 ' B' ' 18' ' ' LEU . 9.6 pt-20 -57.05 -46.76 82.2 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 116.137 -0.483 . . . . 63.41 110.915 -179.905 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' B' B ' 22' ' ' ALA . . . . . . . . . . . . . . . -63.84 -32.69 74.28 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.17 -0.468 . . . . 63.51 111.041 179.96 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 23' ' ' ALA . . . . . . . . . . . . . . . -70.58 -48.15 56.71 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.21 -0.45 . . . . 63.02 111.107 179.965 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 24' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -66.95 -36.26 81.82 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.191 -0.459 . . . . 71.31 110.872 179.996 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' B' B ' 25' ' ' LEU . . . . . 0.443 HD23 ' HA ' ' B' ' 25' ' ' LEU . 10.4 mt -76.6 -38.03 55.45 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.182 -0.463 . . . . 75.32 110.916 179.958 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' B' B ' 26' ' ' LEU . . . . . . . . . . . . . 4.0 mt -50.56 -48.96 57.28 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.206 -0.452 . . . . 72.32 110.954 179.87 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 27' ' ' GLU . . . . . . . . . . . . . 41.9 mt-10 -93.52 12.54 24.79 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.153 -0.476 . . . . 74.41 110.877 179.9 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 28' ' ' GLY . . . . . . . . . . . . . . . -59.81 -14.13 28.62 Favored Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.716 -0.754 . . . . 63.32 112.467 -179.942 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 29' ' ' GLY . . . . . . . . . . . . . . . 135.99 43.82 0.1 Allowed Glycine 0 N--CA 1.452 -0.294 0 C-N-CA 120.676 -0.773 . . . . 64.32 112.507 -179.906 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 30' ' ' GLY . . . . . . . . . . . . . . . -113.27 -82.43 1.14 Allowed Glycine 0 N--CA 1.451 -0.343 0 C-N-CA 120.699 -0.762 . . . . 73.34 112.475 -179.868 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 31' ' ' GLY . . . . . . . . . . . . . . . 162.01 165.71 19.44 Favored Glycine 0 N--CA 1.451 -0.34 0 C-N-CA 120.76 -0.733 . . . . 74.44 112.474 -179.925 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 32' ' ' GLY . . . . . . . . . . . . . . . -160.67 167.61 35.86 Favored Glycine 0 N--CA 1.452 -0.28 0 C-N-CA 120.755 -0.735 . . . . 42.33 112.495 -179.945 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 33' ' ' GLY . . . . . . . . . . . . . . . -112.43 117.5 4.37 Favored Glycine 0 N--CA 1.452 -0.285 0 C-N-CA 120.763 -0.732 . . . . 73.5 112.499 -179.931 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 34' ' ' GLY . . . . . . . . . . . . . . . 60.8 -125.05 37.31 Favored Glycine 0 N--CA 1.451 -0.331 0 C-N-CA 120.719 -0.753 . . . . 63.15 112.499 -179.898 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 35' ' ' GLY . . . . . . . . . . . . . . . -149.28 -65.76 0.01 OUTLIER Glycine 0 N--CA 1.452 -0.294 0 C-N-CA 120.75 -0.738 . . . . 53.32 112.495 -179.933 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 36' ' ' GLU . . . . . . . . . . . . . 41.5 tt0 -53.11 -34.48 56.89 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-O 120.876 0.37 . . . . 74.14 110.919 -179.903 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 37' ' ' LEU . . . . . . . . . . . . . 6.0 tp -54.93 -56.95 13.96 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.17 -0.468 . . . . 74.31 110.898 -179.977 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 38' ' ' MET . . . . . . . . . . . . . 14.4 ttm -69.77 -26.8 64.46 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.176 -0.465 . . . . 74.11 110.925 179.781 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 39' ' ' LYS . . . . . . . . . . . . . 2.7 tttt -54.2 -28.1 38.5 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.185 -0.461 . . . . 72.33 110.843 -179.96 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 40' ' ' LEU . . . . . . . . . . . . . 8.6 mt -54.37 -41.27 68.99 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.299 -0.41 . . . . 51.54 110.916 179.875 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 41' ' ' CYS . . . . . . . . . . . . . 12.3 m -73.61 -44.5 56.93 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.177 -0.465 . . . . 73.04 110.927 179.897 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 42' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -56.05 -24.48 39.95 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.163 -0.471 . . . . 72.45 110.904 -179.856 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' B' B ' 43' ' ' GLU . . . . . . . . . . . . . 1.9 mm-40 -54.07 -25.32 21.04 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.13 -0.486 . . . . 63.14 110.954 -179.986 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 44' ' ' ALA . . . . . 0.607 ' HB2' ' CH2' ' A' ' 15' ' ' TRP . . . -51.38 -45.48 62.46 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.126 -0.488 . . . . 74.12 111.058 179.915 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' B' B ' 45' ' ' ALA . . . . . 0.529 ' HB2' ' HB1' ' B' ' 19' ' ' ALA . . . -75.29 -23.0 57.31 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.224 -0.444 . . . . 41.41 111.084 -179.992 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' B' B ' 46' ' ' LYS . . . . . . . . . . . . . 8.0 mttp -75.67 -50.8 14.35 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.209 -0.451 . . . . 62.25 110.984 179.938 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 47' ' ' LYS . . . . . 0.526 ' O ' HD23 ' B' ' 51' ' ' LEU . 7.0 mmtp -67.67 -28.33 67.61 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.233 -0.44 . . . . 72.33 110.93 179.805 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' B' B ' 48' ' ' ALA . . . . . 0.402 ' HB2' ' CG ' ' B' ' 15' ' ' TRP . . . -68.53 -49.6 58.34 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.245 -0.434 . . . . 74.11 111.079 179.803 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' B' B ' 49' ' ' GLU . . . . . . . . . . . . . 5.7 tt0 -77.07 -27.93 54.44 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.226 -0.443 . . . . 74.3 110.937 -179.931 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 50' ' ' GLU . . . . . . . . . . . . . 61.8 tt0 -66.63 -51.4 56.64 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.151 -0.477 . . . . 65.03 110.837 -179.905 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 51' ' ' LEU . . . . . 0.65 HD11 ' CG ' ' B' ' 12' ' ' PHE . 2.0 pp -73.54 -35.14 65.49 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.157 -0.474 . . . . 70.14 110.942 -179.97 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' B' B ' 52' ' ' PHE . . . . . . . . . . . . . 76.4 t80 -62.29 -24.26 67.19 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.157 -0.474 . . . . 72.12 110.903 179.91 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 53' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -64.24 -59.46 4.38 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.133 -0.485 . . . . 74.54 110.874 179.923 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' B' B ' 54' ' ' LEU . . . . . . . . . . . . . 4.5 mm? -75.21 -23.99 57.7 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.213 -0.449 . . . . 72.23 110.92 179.889 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 55' ' ' ALA . . . . . 0.451 ' O ' HD13 ' B' ' 59' ' ' LEU . . . -55.98 -24.74 40.46 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.204 -0.453 . . . . 71.24 111.156 179.812 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' B' B ' 56' ' ' GLU . . . . . 0.407 ' HB2' HD12 ' B' ' 62' ' ' LEU . 3.3 mt-10 -78.0 -28.41 49.24 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.228 -0.442 . . . . 75.41 110.85 -179.907 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' B' B ' 57' ' ' GLU . . . . . . . . . . . . . 2.6 tt0 -65.36 -44.75 86.68 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.224 -0.444 . . . . 74.2 110.925 -179.967 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 58' ' ' ARG . . . . . . . . . . . . . 1.6 ptt180 -77.98 -29.3 49.63 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.094 -0.503 . . . . 72.24 110.864 -179.916 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 59' ' ' LEU . . . . . 0.724 HD23 ' HB2' ' B' ' 9' ' ' ALA . 5.1 mp -77.96 -64.43 1.16 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.197 -0.456 . . . . 71.41 110.924 -179.981 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' B' B ' 60' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -115.93 -79.28 0.58 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.13 -0.487 . . . . 71.52 110.872 179.86 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' B' B ' 61' ' ' LYS . . . . . . . . . . . . . 6.1 ptmt 178.0 -34.57 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.195 -0.457 . . . . 70.4 110.891 179.902 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 62' ' ' LEU . . . . . 0.407 HD12 ' HB2' ' B' ' 56' ' ' GLU . 0.4 OUTLIER . . . . . 0 C--N 1.329 -0.311 0 CA-C-N 116.286 -0.415 . . . . 73.4 110.896 179.862 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.232 0.142 0 CA-C-O 120.9 0.381 . . . . 73.22 110.915 . . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -173.86 -37.02 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.262 -0.426 . . . . 72.42 110.91 179.858 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 1.4 pp -81.5 -25.65 35.81 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.169 -0.469 . . . . 72.31 110.906 179.945 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 25.4 mtt85 -68.93 -24.32 64.27 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.194 -0.457 . . . . 72.22 110.908 179.968 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -53.68 -26.78 24.27 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.141 -0.481 . . . . 53.25 110.871 -179.924 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 2.9 pp20? -53.1 -36.53 60.82 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.121 -0.491 . . . . 72.15 110.925 -179.965 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -74.51 -26.55 60.07 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.106 -0.497 . . . . 33.42 111.111 179.896 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 9' ' ' ALA . . . . . 0.733 ' HB2' HD13 ' A' ' 59' ' ' LEU . . . -55.55 -44.4 76.74 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.264 -0.426 . . . . 62.11 111.06 179.995 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 24.9 mtpt -55.49 -42.66 74.73 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.262 -0.426 . . . . 42.35 110.942 179.932 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 14.2 mt -52.72 -40.62 63.2 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.153 -0.476 . . . . 74.13 110.923 179.92 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 12' ' ' PHE . . . . . 0.542 ' HE2' HD13 ' A' ' 51' ' ' LEU . 3.0 m-30 -74.24 -24.65 59.33 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.186 -0.461 . . . . 73.45 110.947 179.865 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -53.61 -32.14 49.96 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.15 -0.477 . . . . 64.14 110.873 -179.943 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 14' ' ' GLU . . . . . 0.743 ' O ' HD12 ' A' ' 18' ' ' LEU . 5.3 mt-10 -75.39 -35.79 61.0 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.123 -0.489 . . . . 72.54 110.915 -179.921 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 15' ' ' TRP . . . . . 0.524 ' CH2' ' HB2' ' B' ' 44' ' ' ALA . 6.2 t-105 -52.22 -50.54 61.75 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.142 -0.481 . . . . 70.44 110.997 179.975 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -77.38 -15.18 59.5 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.205 -0.452 . . . . 72.33 110.855 179.919 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 1.2 tptt -72.82 -57.1 4.33 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.243 -0.435 . . . . 73.53 110.898 179.858 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 18' ' ' LEU . . . . . 0.743 HD12 ' O ' ' A' ' 14' ' ' GLU . 1.8 mp -54.59 -29.96 53.09 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.222 -0.444 . . . . 73.14 110.919 179.992 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 19' ' ' ALA . . . . . 0.646 ' HB2' ' HB3' ' A' ' 44' ' ' ALA . . . -66.32 -27.48 67.94 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.222 -0.445 . . . . 64.44 111.162 179.722 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -73.7 -49.43 25.78 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.197 -0.456 . . . . 72.5 110.887 -179.886 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 1.6 mm-40 -73.11 -50.79 20.84 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.112 -0.495 . . . . 74.22 110.864 -179.94 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -56.1 -22.83 30.37 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.244 -0.435 . . . . 72.15 111.074 179.914 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 23' ' ' ALA . . . . . 0.433 ' HB2' ' O ' ' A' ' 19' ' ' ALA . . . -75.67 -54.8 6.4 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.221 -0.445 . . . . 73.33 111.133 179.947 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -66.59 -29.99 70.17 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.255 -0.429 . . . . 64.2 110.902 179.905 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 25' ' ' LEU . . . . . 0.644 HD13 HD21 ' B' ' 11' ' ' LEU . 5.4 mt -77.86 -41.85 35.45 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.283 -0.417 . . . . 60.14 110.926 179.935 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 26' ' ' LEU . . . . . 0.523 HD22 ' HG3' ' A' ' 38' ' ' MET . 5.1 mt -50.78 -49.48 58.14 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.185 -0.461 . . . . 70.33 110.887 179.941 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 44.1 mt-10 -90.02 11.88 19.32 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.211 -0.449 . . . . 72.13 110.918 179.897 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . -55.24 -17.99 12.54 Favored Glycine 0 N--CA 1.451 -0.362 0 C-N-CA 120.772 -0.728 . . . . 75.53 112.484 -179.951 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . 164.04 38.27 0.02 OUTLIER Glycine 0 N--CA 1.45 -0.376 0 C-N-CA 120.736 -0.745 . . . . 71.15 112.46 -179.962 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . -150.94 90.64 0.13 Allowed Glycine 0 N--CA 1.451 -0.305 0 C-N-CA 120.758 -0.734 . . . . 55.14 112.445 -179.88 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . -73.69 76.85 0.97 Allowed Glycine 0 N--CA 1.45 -0.375 0 C-N-CA 120.751 -0.738 . . . . 75.21 112.5 -179.927 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . 106.85 148.79 15.49 Favored Glycine 0 N--CA 1.452 -0.247 0 C-N-CA 120.699 -0.762 . . . . 24.44 112.473 -179.899 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -132.2 -97.2 0.68 Allowed Glycine 0 N--CA 1.45 -0.369 0 C-N-CA 120.809 -0.71 . . . . 74.43 112.482 -179.945 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 34' ' ' GLY . . . . . 0.469 ' H ' HD21 ' A' ' 37' ' ' LEU . . . -101.72 -23.5 9.32 Favored Glycine 0 N--CA 1.45 -0.392 0 C-N-CA 120.76 -0.734 . . . . 51.44 112.505 -179.914 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 153.75 -125.04 1.67 Allowed Glycine 0 N--CA 1.451 -0.304 0 C-N-CA 120.792 -0.718 . . . . 75.13 112.527 -179.879 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 27.3 tp10 -77.35 -21.36 53.48 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-O 120.849 0.357 . . . . 73.43 110.876 -179.908 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 37' ' ' LEU . . . . . 0.598 HD23 ' H ' ' A' ' 38' ' ' MET . 1.5 pt? -50.18 -30.55 11.67 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.157 -0.474 . . . . 72.43 110.872 -179.96 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 38' ' ' MET . . . . . 0.598 ' H ' HD23 ' A' ' 37' ' ' LEU . 27.0 ttm -69.86 -51.12 35.98 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.163 -0.471 . . . . 61.11 110.91 179.848 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 10.1 tttt -65.7 -27.67 68.51 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.206 -0.452 . . . . 72.23 110.919 179.969 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 1.8 mt -53.75 -36.2 62.06 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.177 -0.465 . . . . 72.31 110.919 179.908 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 41' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -75.34 -53.74 8.23 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.15 -0.477 . . . . 44.31 110.883 179.882 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 9.3 tm-20 -53.25 -24.96 12.6 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.21 -0.45 . . . . 64.34 110.892 -179.883 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 2.1 mt-10 -59.88 -18.13 42.22 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.197 -0.456 . . . . 73.12 110.873 -179.95 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 44' ' ' ALA . . . . . 0.665 ' HB2' ' CZ3' ' B' ' 15' ' ' TRP . . . -50.89 -50.2 57.74 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.171 -0.468 . . . . 75.3 111.097 179.922 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -69.31 -22.86 63.75 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.28 -0.418 . . . . 71.15 111.097 179.965 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -76.24 -52.7 9.48 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.185 -0.461 . . . . 71.35 110.926 179.937 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 7.8 mmtm -73.33 -24.47 60.37 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.198 -0.456 . . . . 73.54 110.913 179.827 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -59.5 -50.81 72.48 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.201 -0.454 . . . . 60.02 111.079 179.853 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -67.9 -27.82 66.98 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.268 -0.424 . . . . 71.35 110.824 -179.881 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -74.04 -49.01 26.14 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.179 -0.464 . . . . 63.24 110.867 -179.836 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 51' ' ' LEU . . . . . 0.542 HD13 ' HE2' ' A' ' 12' ' ' PHE . 3.6 pp -73.35 -41.25 63.68 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.189 -0.46 . . . . 72.25 110.942 179.985 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 52' ' ' PHE . . . . . 0.505 ' HA ' ' HB3' ' A' ' 55' ' ' ALA . 74.9 t80 -53.48 -27.74 26.84 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.144 -0.48 . . . . 73.23 110.898 179.982 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -51.72 -60.74 2.82 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.174 -0.466 . . . . 74.44 110.896 179.907 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 54' ' ' LEU . . . . . . . . . . . . . 4.5 mm? -77.45 -27.08 52.02 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.206 -0.452 . . . . 71.44 110.908 179.956 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 55' ' ' ALA . . . . . 0.505 ' HB3' ' HA ' ' A' ' 52' ' ' PHE . . . -53.63 -37.13 62.77 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.159 -0.473 . . . . 74.21 111.102 179.845 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 56' ' ' GLU . . . . . 0.405 ' CB ' HD12 ' A' ' 62' ' ' LEU . 3.2 pt-20 -67.31 -26.47 66.53 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.175 -0.466 . . . . 75.53 110.885 -179.919 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 6.4 tp10 -68.75 -50.23 52.22 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.142 -0.481 . . . . 71.32 110.919 -179.929 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -78.9 -13.67 59.67 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.06 -0.518 . . . . 75.43 110.858 -179.893 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 59' ' ' LEU . . . . . 0.733 HD13 ' HB2' ' A' ' 9' ' ' ALA . 34.6 mt -93.38 -68.62 0.79 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.233 -0.439 . . . . 74.33 110.866 -179.971 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -119.7 -81.99 0.64 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.206 -0.452 . . . . 74.44 110.902 179.902 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 179.18 -68.92 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.214 -0.448 . . . . 72.32 110.846 179.803 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 62' ' ' LEU . . . . . 0.405 HD12 ' CB ' ' A' ' 56' ' ' GLU . 17.9 mt . . . . . 0 C--N 1.328 -0.335 0 CA-C-N 116.193 -0.458 . . . . 63.13 110.923 179.932 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 1' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.232 0.172 0 CA-C-O 120.787 0.327 . . . . 71.31 110.818 . . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 2' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 59.59 179.31 0.08 Allowed 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.232 -0.44 . . . . 72.33 110.89 179.928 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' B' B ' 3' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -173.83 -37.11 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.203 -0.453 . . . . 62.42 110.921 179.853 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' B' B ' 4' ' ' LEU . . . . . . . . . . . . . 1.4 pp -81.38 -25.68 36.08 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.183 -0.462 . . . . 71.23 110.899 179.93 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 5' ' ' ARG . . . . . . . . . . . . . 26.0 mtt85 -69.54 -24.69 63.76 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.178 -0.464 . . . . 70.41 110.895 179.977 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 6' ' ' GLU . . . . . 0.479 ' HA ' HD22 ' B' ' 59' ' ' LEU . 0.1 OUTLIER -53.64 -27.92 30.04 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.168 -0.469 . . . . 74.22 110.853 -179.924 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' B' B ' 7' ' ' GLU . . . . . . . . . . . . . 2.9 pp20? -53.74 -35.68 61.49 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.118 -0.492 . . . . 74.24 110.925 -179.941 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 8' ' ' ALA . . . . . . . . . . . . . . . -74.71 -26.81 60.07 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.107 -0.497 . . . . 73.33 111.099 179.931 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 9' ' ' ALA . . . . . 0.911 ' HB2' HD13 ' B' ' 59' ' ' LEU . . . -56.7 -45.56 81.73 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.213 -0.448 . . . . 61.44 111.065 179.954 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' B' B ' 10' ' ' LYS . . . . . . . . . . . . . 24.9 mtpt -55.83 -41.53 74.4 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.183 -0.462 . . . . 62.53 110.918 -179.992 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 11' ' ' LEU . . . . . 0.644 HD21 HD13 ' A' ' 25' ' ' LEU . 18.2 mt -51.81 -44.61 63.56 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.266 -0.425 . . . . 52.13 110.926 179.885 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' B' B ' 12' ' ' PHE . . . . . . . . . . . . . 5.0 m-85 -74.24 -21.92 59.57 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.133 -0.485 . . . . 73.34 110.903 179.928 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 13' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -60.69 -49.35 77.87 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.146 -0.479 . . . . 73.35 110.832 -179.872 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' B' B ' 14' ' ' GLU . . . . . 0.648 ' O ' HD12 ' B' ' 18' ' ' LEU . 7.3 mt-10 -64.75 -34.76 79.09 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.152 -0.476 . . . . 62.33 110.919 -179.912 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' B' B ' 15' ' ' TRP . . . . . 0.665 ' CZ3' ' HB2' ' A' ' 44' ' ' ALA . 9.8 t-105 -52.7 -53.8 42.51 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.179 -0.464 . . . . 72.34 110.894 -179.971 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' B' B ' 16' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -78.37 -14.78 59.24 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.202 -0.454 . . . . 74.45 110.901 179.92 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' B' B ' 17' ' ' LYS . . . . . . . . . . . . . 1.5 tptt -68.31 -62.87 1.2 Allowed 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.239 -0.437 . . . . 72.42 110.924 179.885 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 18' ' ' LEU . . . . . 0.73 HD13 HD11 ' A' ' 18' ' ' LEU . 3.7 mp -56.28 -29.2 60.85 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.193 -0.458 . . . . 64.3 110.888 179.919 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' B' B ' 19' ' ' ALA . . . . . 0.647 ' CB ' ' HB2' ' B' ' 45' ' ' ALA . . . -67.99 -14.94 63.36 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.187 -0.461 . . . . 73.13 111.119 179.769 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' B' B ' 20' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -71.31 -49.18 45.37 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.236 -0.438 . . . . 64.2 110.904 -179.95 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' B' B ' 21' ' ' GLU . . . . . . . . . . . . . 1.6 mm-40 -66.86 -51.59 53.71 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.135 -0.484 . . . . 64.42 110.875 -179.922 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 22' ' ' ALA . . . . . 0.445 ' O ' HD12 ' B' ' 26' ' ' LEU . . . -58.95 -22.98 61.02 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.166 -0.47 . . . . 73.23 111.054 179.93 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' B' B ' 23' ' ' ALA . . . . . . . . . . . . . . . -76.33 -54.79 6.26 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.249 -0.432 . . . . 51.32 111.129 179.971 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 24' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -65.17 -30.72 71.66 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.187 -0.461 . . . . 73.0 110.899 179.981 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' B' B ' 25' ' ' LEU . . . . . . . . . . . . . 6.8 mt -77.88 -41.7 35.83 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.21 -0.45 . . . . 72.15 110.872 179.938 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 26' ' ' LEU . . . . . 0.583 HD13 ' HA ' ' B' ' 39' ' ' LYS . 2.6 mt -50.81 -48.6 59.68 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.211 -0.449 . . . . 32.54 110.89 179.939 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' B' B ' 27' ' ' GLU . . . . . . . . . . . . . 45.5 mt-10 -91.04 12.7 18.97 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.197 -0.456 . . . . 74.24 110.871 179.926 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 28' ' ' GLY . . . . . . . . . . . . . . . -54.19 -18.76 10.03 Favored Glycine 0 N--CA 1.451 -0.323 0 C-N-CA 120.693 -0.765 . . . . 24.23 112.466 -179.957 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 29' ' ' GLY . . . . . . . . . . . . . . . 168.42 46.53 0.03 OUTLIER Glycine 0 N--CA 1.452 -0.247 0 C-N-CA 120.704 -0.76 . . . . 64.43 112.46 -179.954 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 30' ' ' GLY . . . . . . . . . . . . . . . -146.79 90.8 0.15 Allowed Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.767 -0.73 . . . . 63.22 112.5 -179.93 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 31' ' ' GLY . . . . . . . . . . . . . . . -84.61 52.02 4.64 Favored Glycine 0 N--CA 1.452 -0.3 0 C-N-CA 120.748 -0.739 . . . . 52.23 112.466 -179.927 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 32' ' ' GLY . . . . . . . . . . . . . . . 85.92 115.83 0.88 Allowed Glycine 0 N--CA 1.451 -0.303 0 C-N-CA 120.691 -0.766 . . . . 43.43 112.551 -179.907 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 33' ' ' GLY . . . . . . . . . . . . . . . -174.94 -113.75 0.34 Allowed Glycine 0 N--CA 1.451 -0.31 0 C-N-CA 120.74 -0.743 . . . . 73.34 112.439 -179.858 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 34' ' ' GLY . . . . . . . . . . . . . . . -112.24 23.78 15.45 Favored Glycine 0 N--CA 1.452 -0.298 0 C-N-CA 120.681 -0.771 . . . . 54.43 112.421 -179.876 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 35' ' ' GLY . . . . . 0.585 ' C ' HD23 ' B' ' 37' ' ' LEU . . . -158.15 -38.94 0.02 OUTLIER Glycine 0 N--CA 1.453 -0.205 0 C-N-CA 120.722 -0.752 . . . . 42.33 112.464 -179.957 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' B' B ' 36' ' ' GLU . . . . . . . . . . . . . 33.0 tp10 -51.67 -26.4 9.09 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.842 0.353 . . . . 74.11 110.856 -179.853 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 37' ' ' LEU . . . . . 0.585 HD23 ' C ' ' B' ' 35' ' ' GLY . 2.3 pt? -52.15 -26.36 11.18 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.138 -0.483 . . . . 73.41 110.879 -179.955 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' B' B ' 38' ' ' MET . . . . . 0.583 ' HG2' HD21 ' B' ' 26' ' ' LEU . 33.2 ttm -56.74 -22.56 36.47 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.22 -0.445 . . . . 73.34 110.949 179.816 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' B' B ' 39' ' ' LYS . . . . . 0.583 ' HA ' HD13 ' B' ' 26' ' ' LEU . 10.7 tttt -52.02 -26.31 10.51 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.189 -0.459 . . . . 63.01 110.896 179.95 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' B' B ' 40' ' ' LEU . . . . . . . . . . . . . 1.8 mt -51.77 -33.06 33.52 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.191 -0.459 . . . . 74.54 110.918 179.946 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 41' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -75.54 -36.99 60.34 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.221 -0.445 . . . . 64.13 110.865 179.913 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' B' B ' 42' ' ' GLU . . . . . . . . . . . . . 9.1 tm-20 -52.73 -24.06 7.97 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.159 -0.473 . . . . 72.12 110.935 -179.849 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 43' ' ' GLU . . . . . . . . . . . . . 2.2 mt-10 -54.54 -21.17 9.45 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.174 -0.466 . . . . 65.53 110.87 -179.948 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 44' ' ' ALA . . . . . 0.524 ' HB2' ' CH2' ' A' ' 15' ' ' TRP . . . -50.61 -46.47 58.04 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.205 -0.452 . . . . 61.45 111.1 179.964 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' B' B ' 45' ' ' ALA . . . . . 0.647 ' HB2' ' CB ' ' B' ' 19' ' ' ALA . . . -71.98 -23.04 61.36 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.225 -0.443 . . . . 54.23 111.103 179.899 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' B' B ' 46' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -66.35 -48.61 69.65 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.22 -0.446 . . . . 65.02 110.858 179.999 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' B' B ' 47' ' ' LYS . . . . . . . . . . . . . 7.8 mmtm -74.15 -30.58 62.34 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.173 -0.467 . . . . 65.32 110.934 179.858 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 48' ' ' ALA . . . . . . . . . . . . . . . -62.35 -44.79 95.66 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.24 -0.436 . . . . 50.02 111.092 179.877 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 49' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -66.83 -28.11 68.09 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.222 -0.444 . . . . 71.03 110.891 -179.947 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' B' B ' 50' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -73.96 -48.96 26.88 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.138 -0.483 . . . . 63.42 110.846 -179.95 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' B' B ' 51' ' ' LEU . . . . . 0.471 HD12 ' N ' ' B' ' 52' ' ' PHE . 4.0 pp -72.86 -33.94 66.42 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.197 -0.456 . . . . 73.42 110.949 -179.954 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' B' B ' 52' ' ' PHE . . . . . 0.471 ' N ' HD12 ' B' ' 51' ' ' LEU . 79.6 t80 -53.86 -27.64 31.2 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.19 -0.459 . . . . 74.24 110.914 179.931 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' B' B ' 53' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -51.99 -59.13 4.7 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.111 -0.495 . . . . 72.12 110.902 179.952 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' B' B ' 54' ' ' LEU . . . . . . . . . . . . . 4.5 mm? -75.29 -23.39 57.38 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.272 -0.422 . . . . 74.04 110.966 179.882 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 55' ' ' ALA . . . . . . . . . . . . . . . -53.93 -35.19 61.42 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.158 -0.474 . . . . 45.11 111.112 179.752 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 56' ' ' GLU . . . . . . . . . . . . . 3.7 pt-20 -68.81 -26.11 65.01 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.162 -0.472 . . . . 73.3 110.934 -179.907 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 57' ' ' GLU . . . . . . . . . . . . . 6.4 tp10 -68.36 -50.03 55.99 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.142 -0.481 . . . . 65.24 110.919 -179.964 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 58' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -78.98 -13.83 59.56 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.147 -0.479 . . . . 74.02 110.837 -179.928 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' B' B ' 59' ' ' LEU . . . . . 0.911 HD13 ' HB2' ' B' ' 9' ' ' ALA . 32.5 mt -93.04 -67.69 0.84 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.217 -0.447 . . . . 74.21 110.926 -179.963 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' B' B ' 60' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -119.27 -81.49 0.63 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.194 -0.457 . . . . 64.34 110.925 179.804 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' B' B ' 61' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 178.49 -69.84 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.203 -0.453 . . . . 54.13 110.919 179.859 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' B' B ' 62' ' ' LEU . . . . . . . . . . . . . 16.2 mt . . . . . 0 C--N 1.328 -0.33 0 CA-C-N 116.256 -0.429 . . . . 62.25 110.918 179.894 . . . . . . . . 0 0 . 1 . 019 nuclear build core ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.23 0.044 0 CA-C-O 120.891 0.377 . . . . 61.2 110.851 . . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -179.65 -34.84 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.132 -0.485 . . . . 75.14 110.894 179.858 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 4.2 mm? -51.39 -64.77 0.71 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.125 -0.489 . . . . 71.14 110.898 179.929 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 5' ' ' ARG . . . . . 0.452 ' C ' HD12 ' A' ' 59' ' ' LEU . 1.7 ptp180 -72.22 -37.87 69.12 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.264 -0.426 . . . . 72.41 110.943 179.947 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 6' ' ' GLU . . . . . 0.518 ' N ' HD12 ' A' ' 59' ' ' LEU . 1.5 tm-20 -53.43 -28.61 30.91 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.191 -0.459 . . . . 65.02 110.912 -179.992 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 1.2 mm-40 -55.54 -30.04 60.04 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.14 -0.482 . . . . 74.23 110.922 179.992 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -76.11 -29.21 57.78 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.125 -0.488 . . . . 72.11 111.157 179.909 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 9' ' ' ALA . . . . . 0.675 ' HB2' ' HG ' ' A' ' 59' ' ' LEU . . . -69.52 -37.14 77.0 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.225 -0.443 . . . . 60.12 111.122 179.904 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 12.6 mtmt -56.19 -26.39 50.59 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.138 -0.483 . . . . 65.11 110.918 179.937 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 65.0 mt -52.27 -45.57 65.49 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.213 -0.449 . . . . 43.23 110.864 -179.97 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 23.5 m-85 -73.48 -27.28 61.31 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.217 -0.447 . . . . 75.11 110.868 179.956 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 1.6 tt0 -58.46 -37.15 74.87 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.159 -0.473 . . . . 65.43 110.834 -179.898 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 8.1 mt-10 -74.93 -34.91 62.18 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.167 -0.469 . . . . 73.21 110.893 -179.926 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 15' ' ' TRP . . . . . . . . . . . . . 19.4 m0 -53.91 -54.86 32.81 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.178 -0.465 . . . . 74.54 110.885 -179.993 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -69.95 -24.42 63.34 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.228 -0.442 . . . . 73.23 110.96 179.903 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -69.85 -52.64 23.2 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.172 -0.467 . . . . 63.54 110.901 179.823 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 4.5 mt -54.93 -35.03 63.77 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.17 -0.468 . . . . 65.32 110.905 179.89 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -61.12 -33.73 73.85 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.225 -0.443 . . . . 74.11 111.084 179.859 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 1.8 mt-10 -57.58 -49.34 76.71 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.233 -0.439 . . . . 73.22 110.838 -179.89 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -73.94 -49.58 24.03 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.142 -0.481 . . . . 54.31 110.879 -179.899 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -55.7 -30.86 61.82 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.122 -0.49 . . . . 52.42 111.099 179.96 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -71.01 -54.23 11.96 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.134 -0.485 . . . . 40.25 111.189 179.892 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -62.94 -34.8 78.25 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.18 -0.464 . . . . 75.53 110.944 179.901 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 25' ' ' LEU . . . . . 0.425 HD23 ' HA ' ' A' ' 25' ' ' LEU . 6.4 mt -76.58 -39.03 53.89 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.218 -0.447 . . . . 61.04 110.984 179.91 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 3.4 mt -50.6 -50.09 54.9 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.137 -0.483 . . . . 45.41 110.886 179.859 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 22.1 mt-10 -91.03 12.26 20.35 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.169 -0.468 . . . . 73.34 110.828 179.989 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . -59.44 -14.46 27.49 Favored Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 120.74 -0.743 . . . . 64.11 112.487 -179.988 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . 135.43 46.01 0.09 OUTLIER Glycine 0 N--CA 1.452 -0.291 0 C-N-CA 120.703 -0.76 . . . . 73.2 112.486 -179.869 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . -173.03 -55.58 0.05 OUTLIER Glycine 0 N--CA 1.452 -0.243 0 C-N-CA 120.738 -0.744 . . . . 61.24 112.489 -179.929 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . -56.22 122.38 27.51 Favored Glycine 0 N--CA 1.452 -0.25 0 C-N-CA 120.714 -0.755 . . . . 34.02 112.499 -179.929 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . -70.99 -119.58 0.05 OUTLIER Glycine 0 N--CA 1.453 -0.227 0 C-N-CA 120.742 -0.742 . . . . 42.35 112.474 -179.946 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . 93.67 -123.65 7.51 Favored Glycine 0 N--CA 1.451 -0.34 0 C-N-CA 120.755 -0.736 . . . . 74.35 112.521 -179.819 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 56.94 89.95 0.01 OUTLIER Glycine 0 N--CA 1.451 -0.339 0 C-N-CA 120.774 -0.727 . . . . 61.24 112.493 -179.877 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 136.7 -168.62 24.16 Favored Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.736 -0.745 . . . . 71.34 112.484 -179.88 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 16.7 tt0 -54.24 -31.69 54.07 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.847 0.356 . . . . 75.42 110.886 -179.858 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 37' ' ' LEU . . . . . 0.549 HD12 HD23 ' B' ' 51' ' ' LEU . 33.1 tp -61.46 -57.81 10.69 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.198 -0.455 . . . . 61.52 110.939 -179.99 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 38' ' ' MET . . . . . . . . . . . . . 1.0 OUTLIER -63.67 -25.67 68.32 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.247 -0.433 . . . . 74.34 110.876 179.747 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -56.43 -27.89 57.92 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.266 -0.425 . . . . 71.3 110.912 179.975 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 40' ' ' LEU . . . . . 0.79 ' HB2' HD21 ' B' ' 51' ' ' LEU . 11.4 mt -73.75 -28.44 61.69 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.218 -0.446 . . . . 74.22 110.956 179.886 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 41' ' ' CYS . . . . . . . . . . . . . 36.4 t -65.36 -38.89 91.46 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.149 -0.478 . . . . 72.02 110.895 179.964 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -72.8 -26.08 61.38 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.189 -0.46 . . . . 75.53 110.86 -179.897 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 4.6 mm-40 -59.47 -30.02 68.22 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.148 -0.478 . . . . 74.34 110.913 -179.951 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -51.94 -43.41 63.47 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.213 -0.449 . . . . 74.31 111.06 179.933 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -75.15 -23.09 57.75 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.29 -0.413 . . . . 64.0 111.088 179.95 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -71.88 -46.48 57.69 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.221 -0.445 . . . . 73.11 110.825 179.969 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 47' ' ' LYS . . . . . 0.698 ' CG ' HD22 ' B' ' 40' ' ' LEU . 0.0 OUTLIER -65.25 -56.53 12.24 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.249 -0.432 . . . . 64.13 110.893 179.914 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -52.89 -46.32 67.93 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.244 -0.435 . . . . 70.11 111.147 179.799 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 4.1 tt0 -67.28 -42.54 83.64 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.218 -0.446 . . . . 73.04 110.952 -179.995 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 1.4 mt-10 -59.49 -49.17 78.81 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.121 -0.49 . . . . 73.13 110.91 -179.962 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 51' ' ' LEU . . . . . 0.781 HD21 ' HB2' ' B' ' 40' ' ' LEU . 1.5 mt -69.91 -43.69 71.2 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.192 -0.458 . . . . 71.4 110.949 179.958 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 52' ' ' PHE . . . . . . . . . . . . . 16.5 t80 -60.88 -36.71 79.91 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.16 -0.473 . . . . 73.54 110.896 179.922 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 30.0 tptt -52.19 -58.14 7.52 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.101 -0.5 . . . . 74.45 110.906 -179.955 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 54' ' ' LEU . . . . . . . . . . . . . 19.0 mt -74.86 -23.51 58.43 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.216 -0.447 . . . . 73.2 110.959 179.867 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -57.16 -35.55 69.68 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.179 -0.464 . . . . 71.42 111.089 179.806 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 56' ' ' GLU . . . . . 0.668 ' HB3' HD11 ' A' ' 62' ' ' LEU . 19.9 mt-10 -57.08 -22.67 41.16 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.171 -0.468 . . . . 72.32 110.848 -179.887 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 52.8 tp10 -72.87 -54.37 8.93 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.131 -0.486 . . . . 64.22 110.879 -179.854 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -77.36 -22.64 51.43 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.139 -0.482 . . . . 75.24 110.923 -179.962 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 59' ' ' LEU . . . . . 0.675 ' HG ' ' HB2' ' A' ' 9' ' ' ALA . 3.7 mm? -112.91 -173.93 2.35 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.11 -0.496 . . . . 71.45 110.879 -179.961 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 2.7 mtpm? 51.33 -169.5 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.146 -0.479 . . . . 61.15 110.927 179.874 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -121.0 -29.42 4.59 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.26 -0.427 . . . . 65.23 110.888 179.898 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 62' ' ' LEU . . . . . 0.668 HD11 ' HB3' ' A' ' 56' ' ' GLU . 3.8 pp . . . . . 0 C--N 1.328 -0.345 0 CA-C-N 116.244 -0.434 . . . . 75.32 110.876 179.921 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 1' ' ' MET . . . . . . . . . . . . . 7.7 mtt . . . . . 0 C--O 1.23 0.069 0 CA-C-O 120.869 0.366 . . . . 71.02 110.909 . . . . . . . . . 0 0 . 1 . 019 nuclear build core ' B' B ' 2' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 63.39 160.4 0.09 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.181 -0.463 . . . . 73.54 110.914 179.984 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' B' B ' 3' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -178.45 -37.22 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.201 -0.454 . . . . 74.13 110.944 179.926 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' B' B ' 4' ' ' LEU . . . . . . . . . . . . . 4.1 mm? -52.49 -62.55 1.57 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.093 -0.503 . . . . 75.23 110.945 179.905 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 5' ' ' ARG . . . . . 0.456 ' C ' HD12 ' B' ' 59' ' ' LEU . 1.6 ptp180 -70.86 -35.75 72.53 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.142 -0.481 . . . . 72.32 110.884 179.935 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' B' B ' 6' ' ' GLU . . . . . 0.551 ' N ' HD12 ' B' ' 59' ' ' LEU . 1.4 tm-20 -53.77 -26.65 24.61 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.207 -0.451 . . . . 71.54 110.878 -179.961 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' B' B ' 7' ' ' GLU . . . . . . . . . . . . . 1.2 mm-40 -53.59 -28.44 32.28 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.141 -0.482 . . . . 71.33 110.861 -179.907 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 8' ' ' ALA . . . . . . . . . . . . . . . -76.06 -30.76 58.49 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.145 -0.479 . . . . 52.01 111.102 179.927 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 9' ' ' ALA . . . . . . . . . . . . . . . -71.57 -36.19 70.82 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.251 -0.431 . . . . 44.3 111.118 179.938 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 10' ' ' LYS . . . . . . . . . . . . . 13.1 mtmt -55.84 -25.05 40.19 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.192 -0.458 . . . . 71.43 110.899 179.953 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 11' ' ' LEU . . . . . . . . . . . . . 66.2 mt -51.82 -44.89 63.71 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.205 -0.452 . . . . 74.2 110.981 179.874 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 12' ' ' PHE . . . . . . . . . . . . . 23.4 m-85 -74.04 -28.18 61.29 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.202 -0.454 . . . . 63.23 110.901 179.918 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 13' ' ' GLU . . . . . . . . . . . . . 1.6 tt0 -57.71 -36.69 72.34 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.167 -0.469 . . . . 73.52 110.927 -179.966 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 14' ' ' GLU . . . . . . . . . . . . . 8.3 mt-10 -75.09 -35.2 61.8 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.13 -0.487 . . . . 42.11 110.923 -179.97 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 15' ' ' TRP . . . . . . . . . . . . . 19.4 m0 -53.94 -54.38 39.63 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.128 -0.487 . . . . 71.55 110.908 -179.939 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 16' ' ' LYS . . . . . 0.486 ' HB3' ' HB3' ' B' ' 48' ' ' ALA . 0.2 OUTLIER -69.23 -24.33 63.99 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.255 -0.429 . . . . 64.31 110.939 179.92 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' B' B ' 17' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -70.81 -52.49 20.18 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.147 -0.479 . . . . 72.35 110.877 179.835 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' B' B ' 18' ' ' LEU . . . . . . . . . . . . . 4.5 mt -54.78 -35.05 63.41 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.274 -0.421 . . . . 74.11 110.902 179.904 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 19' ' ' ALA . . . . . . . . . . . . . . . -61.46 -34.07 74.82 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.216 -0.447 . . . . 64.43 111.056 179.864 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 20' ' ' GLU . . . . . . . . . . . . . 1.9 mt-10 -57.52 -49.26 76.9 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.182 -0.463 . . . . 72.14 110.93 -179.954 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 21' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -73.65 -49.89 23.73 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.126 -0.488 . . . . 65.55 110.891 -179.922 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' B' B ' 22' ' ' ALA . . . . . . . . . . . . . . . -55.54 -30.91 61.58 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.162 -0.472 . . . . 74.42 111.114 179.943 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 23' ' ' ALA . . . . . . . . . . . . . . . -71.08 -54.32 11.55 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.229 -0.442 . . . . 75.32 111.079 179.969 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 24' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -62.92 -34.75 78.11 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.22 -0.445 . . . . 74.41 110.945 179.916 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' B' B ' 25' ' ' LEU . . . . . . . . . . . . . 6.4 mt -76.64 -38.91 53.86 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.246 -0.434 . . . . 75.5 110.954 179.872 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 26' ' ' LEU . . . . . . . . . . . . . 3.4 mt -50.6 -50.11 54.85 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.195 -0.457 . . . . 71.33 110.974 179.807 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 27' ' ' GLU . . . . . . . . . . . . . 22.0 mt-10 -91.16 12.41 20.15 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.217 -0.447 . . . . 70.14 110.861 179.934 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 28' ' ' GLY . . . . . . . . . . . . . . . -59.63 -14.43 28.77 Favored Glycine 0 N--CA 1.452 -0.26 0 C-N-CA 120.647 -0.787 . . . . 70.22 112.444 -179.935 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 29' ' ' GLY . . . . . . . . . . . . . . . 135.46 46.57 0.09 OUTLIER Glycine 0 N--CA 1.45 -0.392 0 C-N-CA 120.759 -0.734 . . . . 72.42 112.521 -179.889 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 30' ' ' GLY . . . . . . . . . . . . . . . -172.67 -55.92 0.05 OUTLIER Glycine 0 N--CA 1.451 -0.333 0 C-N-CA 120.702 -0.761 . . . . 60.42 112.475 -179.861 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 31' ' ' GLY . . . . . . . . . . . . . . . -56.56 122.8 29.58 Favored Glycine 0 N--CA 1.452 -0.289 0 C-N-CA 120.739 -0.743 . . . . 64.31 112.481 -179.855 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 32' ' ' GLY . . . . . . . . . . . . . . . -70.68 -119.56 0.04 OUTLIER Glycine 0 N--CA 1.45 -0.376 0 C-N-CA 120.75 -0.738 . . . . 71.43 112.501 -179.848 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 33' ' ' GLY . . . . . . . . . . . . . . . 93.75 -123.49 7.46 Favored Glycine 0 N--CA 1.452 -0.282 0 C-N-CA 120.689 -0.767 . . . . 72.24 112.473 -179.945 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 34' ' ' GLY . . . . . . . . . . . . . . . 57.33 90.08 0.01 OUTLIER Glycine 0 N--CA 1.451 -0.366 0 C-N-CA 120.752 -0.737 . . . . 43.22 112.463 -179.926 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 35' ' ' GLY . . . . . . . . . . . . . . . 136.65 -169.09 23.97 Favored Glycine 0 N--CA 1.452 -0.25 0 C-N-CA 120.708 -0.758 . . . . 63.42 112.434 -179.92 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 36' ' ' GLU . . . . . . . . . . . . . 16.8 tt0 -54.66 -32.5 59.31 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-O 120.891 0.377 . . . . 61.02 110.873 -179.902 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 37' ' ' LEU . . . . . 0.575 HD12 HD23 ' A' ' 51' ' ' LEU . 31.9 tp -61.71 -57.48 11.77 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.18 -0.464 . . . . 62.2 110.906 -179.954 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' B' B ' 38' ' ' MET . . . . . . . . . . . . . 1.0 OUTLIER -62.62 -25.7 68.24 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.199 -0.455 . . . . 73.32 110.816 179.905 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' B' B ' 39' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -56.4 -28.0 58.03 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.246 -0.433 . . . . 64.52 110.951 179.943 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' B' B ' 40' ' ' LEU . . . . . 0.781 ' HB2' HD21 ' A' ' 51' ' ' LEU . 12.0 mt -71.79 -28.77 63.83 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.13 -0.486 . . . . 73.04 110.969 179.867 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' B' B ' 41' ' ' CYS . . . . . . . . . . . . . 36.4 t -65.48 -39.42 91.91 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.139 -0.482 . . . . 73.32 110.842 179.998 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 42' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -73.04 -26.38 61.28 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.171 -0.468 . . . . 72.24 110.825 -179.832 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' B' B ' 43' ' ' GLU . . . . . . . . . . . . . 4.6 mm-40 -59.64 -30.27 68.61 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.214 -0.448 . . . . 70.24 110.833 -179.871 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 44' ' ' ALA . . . . . . . . . . . . . . . -51.96 -43.53 63.57 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.196 -0.456 . . . . 74.02 111.07 179.922 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 45' ' ' ALA . . . . . . . . . . . . . . . -74.93 -23.11 58.27 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.195 -0.457 . . . . 63.44 111.067 179.984 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 46' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -71.9 -47.16 54.6 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.235 -0.439 . . . . 43.12 110.867 -179.974 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' B' B ' 47' ' ' LYS . . . . . 0.695 ' CG ' HD22 ' A' ' 40' ' ' LEU . 0.0 OUTLIER -65.06 -56.32 13.73 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.226 -0.443 . . . . 53.3 110.845 179.918 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' B' B ' 48' ' ' ALA . . . . . 0.486 ' HB3' ' HB3' ' B' ' 16' ' ' LYS . . . -52.84 -46.14 67.68 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.194 -0.457 . . . . 64.24 111.038 179.861 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' B' B ' 49' ' ' GLU . . . . . . . . . . . . . 4.1 tt0 -67.46 -42.96 82.19 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.295 -0.412 . . . . 72.45 110.868 -179.881 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 50' ' ' GLU . . . . . . . . . . . . . 1.5 mt-10 -60.31 -48.72 80.56 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.161 -0.472 . . . . 73.35 110.879 -179.951 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 51' ' ' LEU . . . . . 0.79 HD21 ' HB2' ' A' ' 40' ' ' LEU . 1.5 mt -69.63 -42.21 74.61 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 116.191 -0.458 . . . . 63.14 110.927 -179.997 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' B' B ' 52' ' ' PHE . . . . . . . . . . . . . 15.5 t80 -58.99 -36.66 75.26 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.215 -0.448 . . . . 63.1 110.855 179.957 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 53' ' ' LYS . . . . . . . . . . . . . 29.3 tptt -52.03 -59.36 4.44 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.147 -0.479 . . . . 61.3 110.864 179.992 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 54' ' ' LEU . . . . . . . . . . . . . 19.2 mt -75.7 -22.86 56.22 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.255 -0.429 . . . . 71.11 110.916 179.965 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 55' ' ' ALA . . . . . . . . . . . . . . . -56.44 -31.72 64.22 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.194 -0.457 . . . . 61.22 111.147 179.751 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 56' ' ' GLU . . . . . 0.401 ' CD ' HD21 ' B' ' 62' ' ' LEU . 25.6 mt-10 -60.02 -39.22 85.1 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.192 -0.458 . . . . 73.42 110.921 -179.939 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' B' B ' 57' ' ' GLU . . . . . . . . . . . . . 52.9 tp10 -50.36 -56.07 12.92 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.169 -0.468 . . . . 73.44 110.873 -179.948 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 58' ' ' ARG . . . . . 0.74 ' C ' HD22 ' B' ' 59' ' ' LEU . 0.1 OUTLIER -81.41 -17.77 47.76 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.196 -0.456 . . . . 52.51 110.911 -179.969 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' B' B ' 59' ' ' LEU . . . . . 0.74 HD22 ' C ' ' B' ' 58' ' ' ARG . 3.4 mm? -136.04 74.11 1.49 Allowed 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.236 -0.438 . . . . 74.51 110.974 179.986 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' B' B ' 60' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -86.61 145.54 26.69 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.143 -0.48 . . . . 65.43 110.955 179.836 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' B' B ' 61' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -166.84 -38.46 0.02 OUTLIER 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.291 -0.413 . . . . 63.32 110.872 179.907 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' B' B ' 62' ' ' LEU . . . . . 0.426 ' O ' HD12 ' B' ' 62' ' ' LEU . 2.5 pp . . . . . 0 C--N 1.328 -0.338 0 CA-C-N 116.211 -0.45 . . . . 50.3 110.868 179.957 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.231 0.118 0 CA-C-O 120.92 0.39 . . . . 73.22 110.936 . . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 10.9 mtpt -173.73 -39.99 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.27 -0.423 . . . . 73.32 110.833 179.883 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 4.2 mm? -62.6 -46.5 88.01 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.231 -0.441 . . . . 74.01 110.948 179.863 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 3.1 ptp180 -71.32 -43.04 67.8 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.171 -0.468 . . . . 63.31 110.854 179.93 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 6' ' ' GLU . . . . . 0.642 ' HA ' HD22 ' A' ' 59' ' ' LEU . 0.5 OUTLIER -54.07 -29.62 44.96 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.238 -0.437 . . . . 72.23 110.889 -179.901 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 2.9 mm-40 -64.27 -54.56 31.31 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.167 -0.469 . . . . 74.52 110.866 -179.878 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -55.27 -27.02 43.64 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.136 -0.484 . . . . 71.43 111.147 179.898 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -73.72 -40.64 63.42 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.212 -0.449 . . . . 50.32 111.131 179.874 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 4.1 mtmt -58.39 -31.98 68.17 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.215 -0.448 . . . . 74.03 110.912 179.997 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 55.0 mt -51.69 -43.92 62.93 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.254 -0.43 . . . . 65.35 110.865 179.936 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 12' ' ' PHE . . . . . 0.569 ' CZ ' HD22 ' A' ' 51' ' ' LEU . 22.1 m-85 -74.15 -27.77 61.0 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.173 -0.467 . . . . 75.14 110.876 179.992 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 2.7 tt0 -53.74 -27.93 31.39 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.156 -0.474 . . . . 75.04 110.951 -179.93 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 14' ' ' GLU . . . . . 0.472 ' O ' HD12 ' A' ' 18' ' ' LEU . 11.4 mt-10 -74.89 -35.48 62.28 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.137 -0.483 . . . . 73.34 110.904 179.988 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 15' ' ' TRP . . . . . 0.609 ' CH2' ' HB2' ' B' ' 44' ' ' ALA . 2.3 t90 -59.52 -48.79 80.27 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.198 -0.455 . . . . 62.35 110.87 -179.937 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 2.9 ptmm? -75.39 -32.45 60.78 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.246 -0.434 . . . . 74.32 110.91 179.96 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -64.14 -57.41 9.64 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.241 -0.436 . . . . 64.31 110.903 179.848 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 18' ' ' LEU . . . . . 0.472 HD12 ' O ' ' A' ' 14' ' ' GLU . 3.0 mt -54.92 -42.2 71.95 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.224 -0.444 . . . . 62.03 110.903 179.927 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 19' ' ' ALA . . . . . 0.579 ' HB2' ' HB3' ' A' ' 44' ' ' ALA . . . -58.23 -24.09 58.05 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.24 -0.436 . . . . 62.34 111.113 179.784 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -73.33 -49.5 27.12 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.227 -0.442 . . . . 74.05 110.866 -179.951 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -73.92 -51.41 16.17 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.164 -0.471 . . . . 62.14 110.917 -179.961 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -53.27 -30.23 37.4 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.116 -0.493 . . . . 64.4 111.11 179.953 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -71.15 -54.08 12.29 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.17 -0.468 . . . . 71.34 111.134 179.867 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 16.5 ptpt -64.75 -33.11 75.19 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.262 -0.426 . . . . 73.4 110.85 -179.99 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 4.4 mt -76.54 -40.98 48.33 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.227 -0.442 . . . . 74.11 110.93 179.945 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 7.5 mt -50.78 -49.22 58.77 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.163 -0.471 . . . . 72.24 110.923 179.875 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 11.7 mt-10 -93.24 12.42 24.6 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.175 -0.466 . . . . 72.52 110.841 179.944 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . -59.86 -14.14 29.06 Favored Glycine 0 N--CA 1.451 -0.302 0 C-N-CA 120.695 -0.764 . . . . 73.12 112.483 -179.965 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . 135.45 44.19 0.1 Allowed Glycine 0 N--CA 1.451 -0.348 0 C-N-CA 120.738 -0.744 . . . . 53.53 112.458 -179.992 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . -178.4 -87.12 0.07 OUTLIER Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.761 -0.733 . . . . 63.0 112.509 -179.917 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . 55.09 -108.95 1.1 Allowed Glycine 0 N--CA 1.451 -0.306 0 C-N-CA 120.766 -0.731 . . . . 72.14 112.435 -179.943 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . -141.36 -106.39 0.62 Allowed Glycine 0 N--CA 1.451 -0.344 0 C-N-CA 120.727 -0.749 . . . . 71.0 112.482 -179.927 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -111.63 -39.27 1.34 Allowed Glycine 0 N--CA 1.451 -0.364 0 C-N-CA 120.778 -0.725 . . . . 54.02 112.45 -179.856 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 111.96 115.02 3.42 Favored Glycine 0 N--CA 1.452 -0.283 0 C-N-CA 120.793 -0.718 . . . . 44.32 112.48 -179.892 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 144.38 -136.23 6.62 Favored Glycine 0 N--CA 1.451 -0.3 0 C-N-CA 120.713 -0.756 . . . . 50.22 112.508 -179.888 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 24.5 tt0 -57.55 -33.01 67.67 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.905 0.383 . . . . 74.22 110.937 -179.943 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 19.3 tp -64.89 -48.4 74.33 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.099 -0.5 . . . . 71.32 110.903 -179.911 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 38' ' ' MET . . . . . . . . . . . . . 37.3 ttm -70.95 -44.97 64.98 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.195 -0.457 . . . . 54.2 110.838 179.807 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -65.28 -28.06 69.07 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.239 -0.437 . . . . 74.12 110.919 179.954 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 4.3 mt -54.42 -40.24 68.1 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.209 -0.45 . . . . 71.52 110.909 179.903 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 41' ' ' CYS . . . . . 0.669 ' HA ' HD11 ' B' ' 51' ' ' LEU . 40.5 t -69.84 -37.13 76.06 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.241 -0.436 . . . . 50.02 110.835 179.973 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -56.44 -25.01 49.13 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.199 -0.455 . . . . 73.2 110.895 -179.882 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 11.4 mm-40 -54.28 -29.67 48.07 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.193 -0.458 . . . . 75.32 110.954 -179.985 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 44' ' ' ALA . . . . . 0.66 ' HB2' ' CH2' ' B' ' 15' ' ' TRP . . . -51.69 -43.07 62.64 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.098 -0.501 . . . . 75.51 111.164 179.845 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -75.1 -22.91 57.95 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.245 -0.434 . . . . 74.22 111.041 179.971 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 4.1 mttp -77.63 -50.3 12.79 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.239 -0.437 . . . . 32.14 110.847 -179.968 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -63.54 -49.02 75.11 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.238 -0.437 . . . . 65.45 110.862 179.911 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 48' ' ' ALA . . . . . 0.504 ' HB2' ' HB3' ' A' ' 15' ' ' TRP . . . -51.84 -37.32 51.44 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.219 -0.446 . . . . 73.44 111.093 179.826 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -66.65 -34.28 77.53 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.158 -0.474 . . . . 72.31 110.942 -179.938 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 10.2 mm-40 -74.18 -40.92 62.2 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.162 -0.472 . . . . 73.44 110.92 -179.988 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 51' ' ' LEU . . . . . 0.636 HD11 ' HA ' ' B' ' 41' ' ' CYS . 3.4 mt -73.02 -48.11 39.16 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.136 -0.484 . . . . 73.5 110.874 -179.921 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 52' ' ' PHE . . . . . . . . . . . . . 35.0 t80 -54.05 -26.85 28.78 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.216 -0.447 . . . . 62.42 110.948 179.91 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -51.78 -56.17 15.44 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.146 -0.479 . . . . 73.12 110.935 179.897 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 54' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -75.44 -21.75 57.91 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.264 -0.425 . . . . 72.21 110.936 179.883 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -54.05 -29.94 45.99 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.228 -0.442 . . . . 73.31 111.051 179.769 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 56' ' ' GLU . . . . . 0.598 ' HB2' HD21 ' A' ' 62' ' ' LEU . 5.4 pt-20 -76.5 -25.77 54.56 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.256 -0.429 . . . . 74.43 110.942 -179.968 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 34.9 tp10 -63.06 -46.68 86.32 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.194 -0.457 . . . . 61.22 110.932 -179.923 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -82.65 -12.58 57.53 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.133 -0.485 . . . . 73.1 110.878 -179.946 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 59' ' ' LEU . . . . . 0.642 HD22 ' HA ' ' A' ' 6' ' ' GLU . 31.5 tp -121.51 -77.19 0.58 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.185 -0.461 . . . . 73.13 110.897 -179.913 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 60' ' ' LYS . . . . . 0.478 ' N ' ' O ' ' A' ' 56' ' ' GLU . 2.5 mtpp 70.3 -174.47 0.18 Allowed 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.18 -0.463 . . . . 60.1 110.937 179.824 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER 66.51 22.25 10.65 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.312 -0.404 . . . . 61.01 110.873 179.864 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 62' ' ' LEU . . . . . 0.609 HD22 ' H ' ' A' ' 62' ' ' LEU . 0.4 OUTLIER . . . . . 0 C--N 1.328 -0.335 0 CA-C-N 116.256 -0.429 . . . . 45.02 110.886 -179.987 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' B' B ' 1' ' ' MET . . . . . . . . . . . . . 6.0 ttm . . . . . 0 C--O 1.232 0.155 0 CA-C-O 120.812 0.339 . . . . 54.21 110.85 . . . . . . . . . 0 0 . 1 . 020 nuclear build core ' B' B ' 2' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -161.39 154.52 21.1 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.281 -0.418 . . . . 71.42 110.882 179.948 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' B' B ' 3' ' ' LYS . . . . . . . . . . . . . 11.0 mtpt -173.95 -40.14 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.166 -0.47 . . . . 73.24 110.919 179.879 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 4' ' ' LEU . . . . . . . . . . . . . 4.2 mm? -62.44 -46.16 89.77 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.192 -0.458 . . . . 42.12 110.892 179.904 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 5' ' ' ARG . . . . . . . . . . . . . 2.8 ptp180 -71.31 -42.58 68.45 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.172 -0.467 . . . . 74.52 110.833 179.988 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 6' ' ' GLU . . . . . 0.6 ' HA ' HD22 ' B' ' 59' ' ' LEU . 0.5 OUTLIER -53.66 -29.51 38.86 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.256 -0.429 . . . . 70.15 110.893 -179.927 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' B' B ' 7' ' ' GLU . . . . . . . . . . . . . 3.0 mm-40 -63.46 -54.52 35.14 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.183 -0.462 . . . . 72.02 110.912 -179.935 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 8' ' ' ALA . . . . . . . . . . . . . . . -56.24 -26.83 52.85 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.129 -0.487 . . . . 70.54 111.047 179.928 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 9' ' ' ALA . . . . . . . . . . . . . . . -71.68 -38.76 70.57 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.191 -0.458 . . . . 73.2 111.121 179.953 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 10' ' ' LYS . . . . . . . . . . . . . 4.5 mtmt -55.9 -34.07 65.22 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.194 -0.457 . . . . 72.05 110.91 -179.994 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 11' ' ' LEU . . . . . . . . . . . . . 40.2 mt -51.82 -42.73 62.75 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.179 -0.464 . . . . 72.55 110.961 179.928 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 12' ' ' PHE . . . . . 0.806 ' CE1' HD22 ' B' ' 51' ' ' LEU . 23.4 m-85 -74.16 -27.48 60.85 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.199 -0.455 . . . . 73.0 110.906 179.868 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' B' B ' 13' ' ' GLU . . . . . . . . . . . . . 2.7 tt0 -53.82 -32.52 53.08 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.103 -0.499 . . . . 62.42 110.853 -179.861 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 14' ' ' GLU . . . . . . . . . . . . . 8.4 mt-10 -75.0 -29.24 60.82 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.246 -0.434 . . . . 73.41 110.849 -179.944 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 15' ' ' TRP . . . . . 0.66 ' CH2' ' HB2' ' A' ' 44' ' ' ALA . 2.2 t90 -61.63 -52.13 65.62 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.166 -0.47 . . . . 65.34 110.926 -179.989 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' B' B ' 16' ' ' LYS . . . . . 0.693 ' HB3' ' HB1' ' B' ' 48' ' ' ALA . 3.0 ptmm? -75.98 -32.74 59.6 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.319 -0.401 . . . . 72.33 110.902 179.865 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' B' B ' 17' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -58.83 -62.21 2.04 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.248 -0.433 . . . . 71.41 110.894 179.884 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' B' B ' 18' ' ' LEU . . . . . . . . . . . . . 3.3 mt -54.94 -43.39 73.35 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 116.264 -0.425 . . . . 53.3 110.872 179.914 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 19' ' ' ALA . . . . . . . . . . . . . . . -57.96 -21.66 45.31 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.199 -0.455 . . . . 71.23 111.169 179.754 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 20' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -73.05 -49.21 29.95 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.124 -0.489 . . . . 65.32 110.869 -179.909 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' B' B ' 21' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -71.59 -51.78 21.56 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.147 -0.479 . . . . 73.15 110.855 -179.908 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' B' B ' 22' ' ' ALA . . . . . . . . . . . . . . . -53.94 -30.45 46.63 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.145 -0.48 . . . . 71.44 111.15 179.893 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 23' ' ' ALA . . . . . . . . . . . . . . . -71.54 -53.63 13.19 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.242 -0.435 . . . . 53.13 111.08 179.969 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 24' ' ' LYS . . . . . . . . . . . . . 16.5 ptpt -64.63 -33.66 76.45 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.234 -0.439 . . . . 75.32 110.845 -179.994 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 25' ' ' LEU . . . . . 0.409 ' HA ' HD23 ' B' ' 25' ' ' LEU . 5.1 mt -76.34 -40.44 51.3 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.219 -0.446 . . . . 75.14 110.92 179.951 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' B' B ' 26' ' ' LEU . . . . . . . . . . . . . 7.0 mt -50.62 -50.05 55.22 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.144 -0.48 . . . . 71.24 110.875 179.878 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 27' ' ' GLU . . . . . . . . . . . . . 12.6 mt-10 -95.15 12.54 28.39 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.288 -0.415 . . . . 72.32 110.896 179.935 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 28' ' ' GLY . . . . . . . . . . . . . . . -59.64 -14.46 28.93 Favored Glycine 0 N--CA 1.451 -0.33 0 C-N-CA 120.727 -0.749 . . . . 74.34 112.49 -179.943 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 29' ' ' GLY . . . . . . . . . . . . . . . 135.23 45.63 0.1 OUTLIER Glycine 0 N--CA 1.451 -0.325 0 C-N-CA 120.727 -0.749 . . . . 42.44 112.449 -179.962 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 30' ' ' GLY . . . . . . . . . . . . . . . -176.88 -87.36 0.07 OUTLIER Glycine 0 N--CA 1.452 -0.29 0 C-N-CA 120.75 -0.738 . . . . 74.41 112.469 -179.96 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 31' ' ' GLY . . . . . . . . . . . . . . . 55.69 -107.16 0.73 Allowed Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.752 -0.737 . . . . 64.42 112.535 -179.816 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 32' ' ' GLY . . . . . . . . . . . . . . . -140.63 -106.38 0.64 Allowed Glycine 0 N--CA 1.451 -0.352 0 C-N-CA 120.742 -0.742 . . . . 45.34 112.502 -179.881 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 33' ' ' GLY . . . . . . . . . . . . . . . -111.51 -38.02 1.52 Allowed Glycine 0 N--CA 1.45 -0.381 0 C-N-CA 120.725 -0.75 . . . . 51.25 112.538 -179.979 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 34' ' ' GLY . . . . . . . . . . . . . . . 112.26 112.94 3.24 Favored Glycine 0 N--CA 1.452 -0.3 0 C-N-CA 120.753 -0.737 . . . . 73.44 112.512 -179.911 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 35' ' ' GLY . . . . . . . . . . . . . . . 142.47 -135.5 6.63 Favored Glycine 0 N--CA 1.451 -0.335 0 C-N-CA 120.696 -0.764 . . . . 71.05 112.463 -179.903 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 36' ' ' GLU . . . . . . . . . . . . . 24.4 tt0 -57.66 -31.64 66.52 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 120.867 0.365 . . . . 75.31 110.926 -179.931 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 37' ' ' LEU . . . . . . . . . . . . . 19.8 tp -63.73 -48.49 76.85 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.139 -0.482 . . . . 61.2 110.923 179.991 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 38' ' ' MET . . . . . . . . . . . . . 37.6 ttm -72.53 -44.32 62.34 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.204 -0.453 . . . . 64.52 110.845 179.876 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 39' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -64.29 -27.87 69.33 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.252 -0.431 . . . . 75.25 110.885 179.979 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' B' B ' 40' ' ' LEU . . . . . . . . . . . . . 4.1 mt -53.99 -43.04 69.65 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.24 -0.437 . . . . 73.01 110.903 179.922 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 41' ' ' CYS . . . . . 0.636 ' HA ' HD11 ' A' ' 51' ' ' LEU . 32.5 t -75.11 -27.43 59.84 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.199 -0.455 . . . . 74.24 110.916 179.949 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' B' B ' 42' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -53.65 -25.56 18.53 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.165 -0.47 . . . . 63.01 110.871 -179.888 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' B' B ' 43' ' ' GLU . . . . . . . . . . . . . 11.5 mm-40 -54.6 -33.06 59.78 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.165 -0.471 . . . . 64.24 110.857 -179.931 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 44' ' ' ALA . . . . . 0.609 ' HB2' ' CH2' ' A' ' 15' ' ' TRP . . . -51.63 -42.57 62.11 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.122 -0.49 . . . . 74.51 111.103 179.957 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' B' B ' 45' ' ' ALA . . . . . . . . . . . . . . . -74.92 -23.07 58.29 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.24 -0.436 . . . . 63.23 111.159 179.874 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 46' ' ' LYS . . . . . . . . . . . . . 4.1 mttp -78.13 -49.92 12.98 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.135 -0.484 . . . . 70.44 110.865 -179.98 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 47' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -62.44 -43.56 98.52 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.295 -0.411 . . . . 71.22 110.858 179.919 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' B' B ' 48' ' ' ALA . . . . . 0.693 ' HB1' ' HB3' ' B' ' 16' ' ' LYS . . . -51.86 -41.45 61.88 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.3 -0.409 . . . . 43.53 111.113 179.77 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' B' B ' 49' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -70.63 -32.03 69.21 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.197 -0.456 . . . . 70.33 110.838 -179.878 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' B' B ' 50' ' ' GLU . . . . . . . . . . . . . 10.0 mm-40 -73.98 -41.09 62.45 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.157 -0.474 . . . . 54.42 110.957 -179.98 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 51' ' ' LEU . . . . . 0.806 HD22 ' CE1' ' B' ' 12' ' ' PHE . 4.6 mt -72.53 -53.23 12.6 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.173 -0.467 . . . . 74.01 110.942 179.995 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' B' B ' 52' ' ' PHE . . . . . . . . . . . . . 34.8 t80 -56.11 -24.89 43.42 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.174 -0.467 . . . . 75.52 110.898 179.907 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 53' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -52.37 -56.02 17.71 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.182 -0.463 . . . . 71.14 110.878 -179.991 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' B' B ' 54' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -75.28 -21.95 58.14 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.22 -0.446 . . . . 65.12 110.968 179.844 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' B' B ' 55' ' ' ALA . . . . . . . . . . . . . . . -53.87 -30.0 43.91 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.169 -0.469 . . . . 64.43 111.076 179.827 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 56' ' ' GLU . . . . . 0.601 ' HB2' HD21 ' B' ' 62' ' ' LEU . 5.4 pt-20 -76.82 -25.82 53.67 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.262 -0.426 . . . . 74.41 110.876 -179.963 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' B' B ' 57' ' ' GLU . . . . . . . . . . . . . 34.9 tp10 -62.96 -46.7 86.48 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.185 -0.461 . . . . 53.11 110.863 -179.895 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 58' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -82.64 -12.7 57.46 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.227 -0.442 . . . . 74.12 110.879 -179.934 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' B' B ' 59' ' ' LEU . . . . . 0.6 HD22 ' HA ' ' B' ' 6' ' ' GLU . 29.4 tp -121.3 -77.17 0.58 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.205 -0.452 . . . . 51.14 110.918 -179.977 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' B' B ' 60' ' ' LYS . . . . . 0.477 ' N ' ' O ' ' B' ' 56' ' ' GLU . 2.6 mtpp 70.35 -174.5 0.18 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.129 -0.487 . . . . 73.14 110.922 179.873 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' B' B ' 61' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER 66.28 22.6 10.88 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.226 -0.443 . . . . 71.42 110.896 179.851 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' B' B ' 62' ' ' LEU . . . . . 0.619 ' H ' HD22 ' B' ' 62' ' ' LEU . 0.4 OUTLIER . . . . . 0 C--N 1.329 -0.324 0 CA-C-N 116.212 -0.449 . . . . 70.33 110.871 179.954 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 1' ' ' MET . . . . . 0.635 ' H1 ' ' HB3' ' A' ' 60' ' ' LYS . 0.0 OUTLIER . . . . . 0 C--O 1.232 0.133 0 CA-C-O 120.879 0.371 . . . . 71.25 110.861 . . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 33.9 tptt -73.03 -74.58 0.17 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.252 -0.431 . . . . 75.12 110.849 179.978 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 3' ' ' LYS . . . . . 0.42 ' C ' HD22 ' A' ' 4' ' ' LEU . 0.2 OUTLIER -179.33 -37.76 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.235 -0.439 . . . . 50.32 110.913 179.955 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 4' ' ' LEU . . . . . 0.42 HD22 ' C ' ' A' ' 3' ' ' LYS . 4.3 mm? -116.89 -26.98 6.72 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.224 -0.443 . . . . 74.41 110.902 179.933 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 2.1 mtt85 -72.05 -45.46 60.69 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.205 -0.452 . . . . 73.21 110.908 179.951 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 2.4 tt0 -53.81 -28.23 34.01 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.17 -0.468 . . . . 74.31 110.926 -179.99 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 15.9 mm-40 -54.96 -29.93 57.86 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.16 -0.473 . . . . 73.35 110.903 -179.941 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -74.15 -26.98 60.62 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.168 -0.469 . . . . 71.14 111.093 179.896 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 9' ' ' ALA . . . . . 0.901 ' HB2' HD23 ' A' ' 59' ' ' LEU . . . -64.13 -40.86 97.08 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.213 -0.449 . . . . 45.11 111.093 179.946 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -65.77 -35.13 79.85 Favored 'General case' 0 C--N 1.33 -0.283 0 CA-C-N 116.188 -0.46 . . . . 61.0 110.904 -179.973 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 51.1 mt -51.89 -44.06 63.59 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.221 -0.445 . . . . 65.24 110.942 179.881 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 12' ' ' PHE . . . . . 0.4 ' CZ ' HD21 ' B' ' 26' ' ' LEU . 22.4 m-85 -74.09 -23.51 59.34 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.121 -0.49 . . . . 71.03 110.811 -179.984 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -59.03 -37.38 76.82 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.195 -0.457 . . . . 73.24 110.913 -179.952 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 7.4 mt-10 -75.02 -34.97 61.97 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.151 -0.477 . . . . 75.43 110.823 -179.895 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 15' ' ' TRP . . . . . . . . . . . . . 11.4 m0 -55.76 -47.67 76.61 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 116.178 -0.465 . . . . 64.44 110.932 -179.902 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 12.4 tttm -76.62 -25.93 54.38 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.226 -0.443 . . . . 72.13 110.917 179.871 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -67.9 -59.14 3.51 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.237 -0.438 . . . . 73.24 110.889 179.864 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 19.1 mt -55.18 -32.68 62.37 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.229 -0.442 . . . . 74.34 110.888 179.876 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 19' ' ' ALA . . . . . 0.435 ' O ' ' HB2' ' A' ' 23' ' ' ALA . . . -63.38 -24.82 68.01 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.216 -0.447 . . . . 72.35 111.108 179.81 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 1.3 mt-10 -73.08 -49.54 27.93 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.274 -0.421 . . . . 75.11 110.879 -179.907 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 2.1 mm-40 -74.26 -48.47 28.47 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.131 -0.486 . . . . 71.32 110.928 -179.929 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -57.78 -22.42 47.06 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.111 -0.495 . . . . 53.33 111.074 179.947 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 23' ' ' ALA . . . . . 0.435 ' HB2' ' O ' ' A' ' 19' ' ' ALA . . . -75.95 -54.86 6.23 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.197 -0.456 . . . . 51.3 111.079 179.961 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -65.87 -30.44 71.05 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.251 -0.431 . . . . 62.12 110.919 179.961 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 25' ' ' LEU . . . . . 0.429 HD23 ' HA ' ' A' ' 25' ' ' LEU . 5.8 mt -77.82 -41.67 36.31 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.223 -0.444 . . . . 73.21 110.845 179.976 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 5.4 mt -50.38 -50.33 51.86 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 116.215 -0.448 . . . . 71.31 110.963 179.876 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 1.7 mt-10 -90.78 12.29 19.72 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.13 -0.486 . . . . 65.11 110.914 179.859 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . -59.71 -14.25 28.5 Favored Glycine 0 N--CA 1.451 -0.351 0 C-N-CA 120.816 -0.707 . . . . 54.55 112.499 -179.985 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . 135.36 45.25 0.1 OUTLIER Glycine 0 N--CA 1.452 -0.283 0 C-N-CA 120.709 -0.757 . . . . 65.51 112.518 -179.88 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . -111.85 -44.98 0.85 Allowed Glycine 0 N--CA 1.451 -0.306 0 C-N-CA 120.72 -0.752 . . . . 62.1 112.432 -179.883 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . -175.88 130.98 1.8 Allowed Glycine 0 N--CA 1.452 -0.275 0 C-N-CA 120.779 -0.724 . . . . 44.44 112.51 -179.899 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . -137.9 111.29 0.81 Allowed Glycine 0 N--CA 1.451 -0.33 0 C-N-CA 120.773 -0.727 . . . . 72.24 112.492 -179.942 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -111.39 -45.18 0.87 Allowed Glycine 0 N--CA 1.451 -0.306 0 C-N-CA 120.753 -0.737 . . . . 64.42 112.472 -179.918 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . -152.26 156.29 26.61 Favored Glycine 0 N--CA 1.452 -0.263 0 C-N-CA 120.655 -0.783 . . . . 71.03 112.468 -179.884 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . -69.05 -47.05 56.44 Favored Glycine 0 N--CA 1.451 -0.336 0 C-N-CA 120.73 -0.748 . . . . 62.32 112.452 -179.843 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 13.9 tt0 -60.84 -37.05 80.73 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 120.886 0.374 . . . . 73.04 110.849 -179.89 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 46.5 tp -52.66 -56.74 13.32 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.232 -0.44 . . . . 72.33 110.967 -179.972 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 38' ' ' MET . . . . . . . . . . . . . 0.9 OUTLIER -67.37 -26.89 66.69 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.177 -0.465 . . . . 62.12 110.88 179.82 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 22.3 tttt -54.03 -29.65 44.52 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.206 -0.452 . . . . 73.33 110.853 179.968 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 40' ' ' LEU . . . . . 0.601 ' HB3' HD23 ' B' ' 51' ' ' LEU . 22.3 mt -61.94 -29.47 70.25 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.265 -0.425 . . . . 61.44 110.877 179.96 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 41' ' ' CYS . . . . . . . . . . . . . 23.0 m -71.88 -49.2 40.03 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.199 -0.455 . . . . 51.34 110.834 179.981 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 2.1 mt-10 -65.8 -25.98 67.48 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.168 -0.469 . . . . 74.12 110.876 -179.822 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 2.9 mm-40 -54.99 -28.1 49.3 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.197 -0.456 . . . . 75.5 110.907 -179.923 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -51.94 -43.34 63.43 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.098 -0.501 . . . . 45.31 111.08 179.894 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -75.09 -23.67 58.01 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.236 -0.438 . . . . 44.31 111.093 179.929 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -69.06 -46.82 66.87 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 116.291 -0.413 . . . . 75.42 110.925 179.9 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 3.6 mptp? -66.88 -56.9 8.26 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.208 -0.451 . . . . 73.11 110.927 179.886 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -54.45 -27.25 36.06 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.247 -0.433 . . . . 43.13 111.035 179.832 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 4.1 tm-20 -70.28 -44.39 68.48 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.228 -0.442 . . . . 73.35 110.874 -179.888 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -54.19 -51.03 65.65 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.144 -0.48 . . . . 75.45 110.93 -179.935 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 51' ' ' LEU . . . . . 0.605 HD23 ' HB3' ' B' ' 40' ' ' LEU . 3.4 pp -73.0 -30.91 64.15 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.1 -0.5 . . . . 61.02 110.912 -179.963 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 52' ' ' PHE . . . . . . . . . . . . . 61.2 t80 -60.49 -24.03 64.97 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.215 -0.448 . . . . 71.32 110.893 179.92 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -70.33 -56.67 6.15 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.121 -0.49 . . . . 75.45 110.955 179.948 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 54' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -72.46 -25.51 61.47 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.138 -0.483 . . . . 64.24 110.889 179.905 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 55' ' ' ALA . . . . . 0.489 ' O ' HD13 ' A' ' 59' ' ' LEU . . . -56.09 -25.0 43.65 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.211 -0.449 . . . . 73.35 111.1 179.841 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 7.2 mt-10 -77.0 -26.23 53.61 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.215 -0.448 . . . . 70.33 110.904 -179.96 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -61.46 -49.31 77.3 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.132 -0.485 . . . . 71.41 110.882 -179.867 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -78.04 -21.76 50.21 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.201 -0.454 . . . . 72.34 110.881 -179.966 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 59' ' ' LEU . . . . . 0.901 HD23 ' HB2' ' A' ' 9' ' ' ALA . 6.5 mp -85.13 -77.5 0.28 Allowed 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.213 -0.449 . . . . 72.12 110.974 179.96 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 60' ' ' LYS . . . . . 0.635 ' HB3' ' H1 ' ' A' ' 1' ' ' MET . 0.0 OUTLIER -100.98 -175.66 2.94 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.238 -0.437 . . . . 63.1 110.964 179.749 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 8.6 mtpt -114.76 87.14 2.58 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.259 -0.428 . . . . 74.13 110.878 179.925 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 11.5 mt . . . . . 0 C--N 1.329 -0.302 0 CA-C-N 116.211 -0.449 . . . . 75.42 110.967 179.907 . . . . . . . . 0 0 . 1 . 001 nuclear build full ' B' B ' 1' ' ' MET . . . . . 0.597 ' H1 ' ' HB3' ' B' ' 60' ' ' LYS . 0.0 OUTLIER . . . . . 0 C--O 1.232 0.152 0 CA-C-O 120.858 0.361 . . . . 71.41 110.929 . . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 2' ' ' LYS . . . . . . . . . . . . . 33.9 tptt -72.94 -74.56 0.17 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.241 -0.436 . . . . 60.41 110.822 -179.939 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 3' ' ' LYS . . . . . 0.428 ' C ' HD22 ' B' ' 4' ' ' LEU . 0.2 OUTLIER -179.38 -37.69 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.203 -0.453 . . . . 74.23 110.887 179.891 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' B' B ' 4' ' ' LEU . . . . . 0.428 HD22 ' C ' ' B' ' 3' ' ' LYS . 4.3 mm? -116.94 -26.93 6.72 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.248 -0.433 . . . . 72.04 110.901 179.939 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 5' ' ' ARG . . . . . . . . . . . . . 2.1 mtt85 -72.06 -45.51 60.48 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.216 -0.447 . . . . 74.31 110.875 179.942 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 6' ' ' GLU . . . . . . . . . . . . . 2.5 tt0 -53.79 -28.27 34.02 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.209 -0.45 . . . . 62.44 110.836 -179.893 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 7' ' ' GLU . . . . . . . . . . . . . 16.0 mm-40 -54.94 -29.98 57.72 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.211 -0.45 . . . . 72.32 110.906 -179.897 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 8' ' ' ALA . . . . . . . . . . . . . . . -74.08 -27.02 60.7 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.105 -0.498 . . . . 62.53 111.124 179.878 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 9' ' ' ALA . . . . . 0.918 ' HB2' HD23 ' B' ' 59' ' ' LEU . . . -64.18 -40.85 96.97 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.237 -0.438 . . . . 64.11 111.07 179.933 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 10' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -65.67 -35.29 80.35 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.278 -0.419 . . . . 70.13 110.94 179.957 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 11' ' ' LEU . . . . . . . . . . . . . 50.7 mt -51.94 -44.03 63.74 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.196 -0.456 . . . . 42.05 110.895 179.92 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 12' ' ' PHE . . . . . . . . . . . . . 22.3 m-85 -73.99 -23.53 59.46 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.227 -0.442 . . . . 62.11 110.903 179.933 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 13' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -58.62 -37.36 75.71 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.094 -0.503 . . . . 74.42 110.914 -179.937 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 14' ' ' GLU . . . . . . . . . . . . . 7.4 mt-10 -75.02 -34.89 61.97 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.123 -0.49 . . . . 61.01 110.898 -179.943 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 15' ' ' TRP . . . . . . . . . . . . . 11.3 m0 -55.36 -47.9 75.08 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.181 -0.463 . . . . 70.21 110.924 -179.997 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 16' ' ' LYS . . . . . . . . . . . . . 12.4 tttm -76.56 -26.11 54.76 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.224 -0.444 . . . . 71.02 110.865 179.996 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 17' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -68.12 -58.99 3.58 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.217 -0.447 . . . . 52.11 110.827 179.925 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 18' ' ' LEU . . . . . . . . . . . . . 19.0 mt -55.26 -32.43 62.34 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.239 -0.437 . . . . 73.14 110.956 179.912 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 19' ' ' ALA . . . . . 0.437 ' O ' ' HB2' ' B' ' 23' ' ' ALA . . . -63.74 -24.74 67.89 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.113 -0.494 . . . . 72.15 111.096 179.837 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 20' ' ' GLU . . . . . . . . . . . . . 1.3 mt-10 -73.24 -49.54 27.28 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.212 -0.449 . . . . 55.32 110.871 -179.923 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 21' ' ' GLU . . . . . . . . . . . . . 2.1 mm-40 -74.23 -48.44 28.8 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.151 -0.477 . . . . 73.35 110.895 -179.929 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 22' ' ' ALA . . . . . . . . . . . . . . . -57.86 -22.2 46.77 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.177 -0.465 . . . . 42.14 111.135 179.953 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 23' ' ' ALA . . . . . 0.437 ' HB2' ' O ' ' B' ' 19' ' ' ALA . . . -76.01 -54.82 6.29 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.198 -0.456 . . . . 71.41 111.097 179.897 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 24' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -65.93 -30.41 70.99 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.234 -0.439 . . . . 74.44 110.932 179.936 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 25' ' ' LEU . . . . . 0.414 HD23 ' HA ' ' B' ' 25' ' ' LEU . 5.8 mt -77.79 -41.64 36.63 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.211 -0.449 . . . . 63.12 110.923 179.895 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 26' ' ' LEU . . . . . 0.4 HD21 ' CZ ' ' A' ' 12' ' ' PHE . 5.4 mt -50.46 -50.32 52.71 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.16 -0.473 . . . . 55.4 110.88 179.919 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 27' ' ' GLU . . . . . . . . . . . . . 1.7 mt-10 -90.8 12.19 20.09 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.194 -0.457 . . . . 70.12 110.883 179.962 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 28' ' ' GLY . . . . . . . . . . . . . . . -59.69 -14.24 28.28 Favored Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.742 -0.742 . . . . 71.11 112.506 -179.975 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 29' ' ' GLY . . . . . . . . . . . . . . . 135.43 45.21 0.1 OUTLIER Glycine 0 N--CA 1.452 -0.266 0 C-N-CA 120.673 -0.775 . . . . 62.24 112.46 -179.929 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 30' ' ' GLY . . . . . . . . . . . . . . . -111.81 -44.82 0.86 Allowed Glycine 0 N--CA 1.45 -0.4 0 C-N-CA 120.732 -0.746 . . . . 75.31 112.537 -179.918 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 31' ' ' GLY . . . . . . . . . . . . . . . -176.01 131.13 1.82 Allowed Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.738 -0.744 . . . . 61.01 112.45 -179.993 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 32' ' ' GLY . . . . . . . . . . . . . . . -137.95 111.17 0.8 Allowed Glycine 0 N--CA 1.452 -0.248 0 C-N-CA 120.75 -0.738 . . . . 71.44 112.512 -179.929 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 33' ' ' GLY . . . . . . . . . . . . . . . -111.42 -45.1 0.87 Allowed Glycine 0 N--CA 1.452 -0.292 0 C-N-CA 120.655 -0.783 . . . . 73.42 112.507 -179.921 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 34' ' ' GLY . . . . . . . . . . . . . . . -152.24 156.24 26.59 Favored Glycine 0 N--CA 1.452 -0.296 0 C-N-CA 120.727 -0.749 . . . . 51.31 112.493 -179.868 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 35' ' ' GLY . . . . . . . . . . . . . . . -68.86 -47.13 57.13 Favored Glycine 0 N--CA 1.45 -0.387 0 C-N-CA 120.724 -0.751 . . . . 52.03 112.506 -179.902 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 36' ' ' GLU . . . . . . . . . . . . . 14.0 tt0 -60.81 -37.13 80.91 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 120.925 0.393 . . . . 73.11 110.848 -179.866 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 37' ' ' LEU . . . . . . . . . . . . . 46.7 tp -52.63 -56.75 13.23 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.18 -0.464 . . . . 72.21 110.991 179.996 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 38' ' ' MET . . . . . . . . . . . . . 0.9 OUTLIER -67.2 -26.96 66.88 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.226 -0.443 . . . . 70.51 110.884 179.769 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 39' ' ' LYS . . . . . . . . . . . . . 22.2 tttt -54.06 -29.56 44.64 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.253 -0.431 . . . . 65.43 110.914 179.952 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 40' ' ' LEU . . . . . 0.605 ' HB3' HD23 ' A' ' 51' ' ' LEU . 22.6 mt -61.84 -29.36 70.12 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.219 -0.446 . . . . 70.44 110.959 179.872 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 41' ' ' CYS . . . . . . . . . . . . . 23.5 m -71.77 -49.32 39.95 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.176 -0.466 . . . . 73.11 110.897 179.906 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 42' ' ' GLU . . . . . . . . . . . . . 2.1 mt-10 -65.83 -25.87 67.41 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.179 -0.464 . . . . 74.14 110.878 -179.843 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 43' ' ' GLU . . . . . . . . . . . . . 2.9 mm-40 -55.0 -28.3 50.92 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 116.18 -0.463 . . . . 75.34 110.876 -179.966 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 44' ' ' ALA . . . . . . . . . . . . . . . -51.92 -43.25 63.33 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.169 -0.469 . . . . 71.01 111.127 179.954 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 45' ' ' ALA . . . . . . . . . . . . . . . -75.08 -23.74 58.06 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.193 -0.458 . . . . 60.13 111.064 179.933 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 46' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -69.18 -46.8 66.6 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.21 -0.45 . . . . 74.35 110.873 179.984 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 47' ' ' LYS . . . . . . . . . . . . . 3.6 mptp? -66.99 -56.87 8.27 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.252 -0.431 . . . . 71.32 110.928 179.881 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 48' ' ' ALA . . . . . . . . . . . . . . . -54.39 -27.07 34.08 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.261 -0.427 . . . . 53.23 111.114 179.799 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 49' ' ' GLU . . . . . . . . . . . . . 4.1 tm-20 -70.43 -44.33 68.11 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.2 -0.455 . . . . 65.55 110.932 -179.945 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 50' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -54.03 -51.05 65.23 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.13 -0.486 . . . . 71.44 110.96 179.979 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 51' ' ' LEU . . . . . 0.601 HD23 ' HB3' ' A' ' 40' ' ' LEU . 3.5 pp -73.05 -31.01 64.14 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.119 -0.491 . . . . 62.34 110.931 -179.991 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 52' ' ' PHE . . . . . . . . . . . . . 60.8 t80 -60.58 -24.02 65.11 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.192 -0.458 . . . . 73.41 110.89 179.94 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 53' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -70.34 -56.75 5.93 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.104 -0.498 . . . . 73.3 110.894 179.96 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 54' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -72.4 -25.51 61.52 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.217 -0.447 . . . . 70.24 110.912 179.883 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 55' ' ' ALA . . . . . 0.507 ' O ' HD13 ' B' ' 59' ' ' LEU . . . -56.08 -24.96 43.34 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.27 -0.423 . . . . 73.02 111.118 179.855 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 56' ' ' GLU . . . . . . . . . . . . . 7.2 mt-10 -77.11 -26.18 53.02 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.166 -0.47 . . . . 64.03 110.864 -179.937 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 57' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -61.49 -49.28 77.38 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.15 -0.477 . . . . 63.14 110.83 -179.88 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 58' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -78.06 -21.83 50.01 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.241 -0.436 . . . . 70.04 110.816 -179.884 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 59' ' ' LEU . . . . . 0.918 HD23 ' HB2' ' B' ' 9' ' ' ALA . 6.5 mp -85.1 -77.55 0.28 Allowed 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.202 -0.454 . . . . 73.11 110.874 -179.952 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 60' ' ' LYS . . . . . 0.597 ' HB3' ' H1 ' ' B' ' 1' ' ' MET . 0.0 OUTLIER -100.99 -175.56 2.91 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.195 -0.457 . . . . 73.44 110.912 179.849 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' B' B ' 61' ' ' LYS . . . . . . . . . . . . . 8.7 mtpt -114.72 86.98 2.54 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.271 -0.422 . . . . 63.51 110.978 179.822 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 62' ' ' LEU . . . . . . . . . . . . . 11.5 mt . . . . . 0 C--N 1.329 -0.32 0 CA-C-N 116.239 -0.437 . . . . 60.11 110.884 179.948 . . . . . . . . 0 0 . 1 . 001 nuclear build full ' A' A ' 101' ' ' HLT . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 002 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 1.9 mtt . . . . . 0 C--O 1.232 0.173 0 CA-C-O 120.819 0.342 . . . . 71.21 110.875 . . . . . . . . . 0 0 . 1 . 002 nuclear build full ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -114.06 177.92 4.47 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.274 -0.421 . . . . 75.04 110.956 179.911 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 3' ' ' LYS . . . . . 0.517 ' HB3' HD22 ' A' ' 4' ' ' LEU . 15.9 mttm -153.04 -64.2 0.15 Allowed 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.285 -0.416 . . . . 70.44 110.877 179.85 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 4' ' ' LEU . . . . . 0.517 HD22 ' HB3' ' A' ' 3' ' ' LYS . 2.3 mm? -116.45 -21.16 9.36 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.224 -0.444 . . . . 74.32 110.977 179.895 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 7.7 mmt180 -69.63 -43.81 71.89 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.202 -0.454 . . . . 71.41 110.883 179.941 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 6' ' ' GLU . . . . . 0.726 ' HA ' HD22 ' A' ' 59' ' ' LEU . 0.0 OUTLIER -53.44 -28.59 30.95 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.255 -0.429 . . . . 75.12 110.887 -179.943 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 4.6 mt-10 -57.6 -28.65 63.83 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.128 -0.487 . . . . 74.2 110.901 -179.975 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -76.03 -28.26 57.65 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.148 -0.478 . . . . 71.13 111.087 179.956 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -61.94 -43.23 99.28 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.272 -0.422 . . . . 64.32 111.078 179.962 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 4.6 mttm -56.12 -31.29 63.18 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.255 -0.429 . . . . 71.23 110.922 179.927 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 51.8 mt -51.8 -46.25 64.17 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.272 -0.422 . . . . 64.24 110.972 179.865 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 21.4 m-85 -74.06 -25.16 59.69 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.202 -0.454 . . . . 73.45 110.869 179.979 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 25.4 tt0 -54.15 -32.88 56.56 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-N 116.101 -0.5 . . . . 61.31 110.907 -179.949 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 9.2 mt-10 -66.4 -32.56 74.02 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.216 -0.447 . . . . 51.13 110.898 -179.906 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 15' ' ' TRP . . . . . 0.569 ' CD1' ' HB1' ' A' ' 44' ' ' ALA . 3.5 t90 -67.97 -44.45 76.67 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.105 -0.498 . . . . 72.2 110.926 -179.967 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 16' ' ' LYS . . . . . 0.41 ' HB2' ' HB3' ' A' ' 48' ' ' ALA . 9.9 ttpt -77.14 -32.12 56.11 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.204 -0.453 . . . . 71.42 110.992 179.84 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -73.79 -52.36 13.39 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.175 -0.466 . . . . 73.13 110.95 179.8 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 61.3 mt -55.93 -28.18 55.71 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.163 -0.471 . . . . 73.51 110.892 179.936 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -72.24 -24.13 61.33 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.204 -0.453 . . . . 63.24 111.13 179.781 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 10.1 mt-10 -73.43 -49.51 26.61 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.208 -0.451 . . . . 65.23 110.893 -179.967 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 1.9 mm-40 -74.14 -51.53 15.3 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.199 -0.455 . . . . 74.0 110.92 -179.96 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -53.04 -29.83 32.17 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.187 -0.46 . . . . 41.11 111.092 179.912 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -71.67 -54.0 11.76 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.262 -0.426 . . . . 70.25 111.078 179.932 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 14.0 ptmt -64.86 -33.07 75.14 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 116.329 -0.396 . . . . 73.44 110.917 179.961 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 25' ' ' LEU . . . . . 0.409 HD23 ' HA ' ' A' ' 25' ' ' LEU . 4.2 mt -76.27 -41.81 47.68 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.198 -0.455 . . . . 63.33 110.903 179.885 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 4.0 mt -50.81 -48.16 59.8 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.243 -0.435 . . . . 70.01 110.951 179.888 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 37.2 mm-40 -95.35 12.49 28.99 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.159 -0.473 . . . . 63.54 110.821 179.956 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . -59.49 -14.4 27.62 Favored Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.748 -0.739 . . . . 52.23 112.558 179.99 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . 135.38 45.63 0.1 OUTLIER Glycine 0 N--CA 1.452 -0.276 0 C-N-CA 120.676 -0.773 . . . . 63.34 112.467 -179.876 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . -137.41 43.74 1.19 Allowed Glycine 0 N--CA 1.452 -0.298 0 C-N-CA 120.743 -0.741 . . . . 53.3 112.453 -179.869 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . 150.24 60.81 0.01 OUTLIER Glycine 0 N--CA 1.45 -0.371 0 C-N-CA 120.787 -0.72 . . . . 43.21 112.531 -179.94 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . 54.05 -101.79 0.1 Allowed Glycine 0 N--CA 1.453 -0.219 0 C-N-CA 120.675 -0.774 . . . . 73.22 112.494 -179.847 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . 179.11 -128.37 1.24 Allowed Glycine 0 N--CA 1.45 -0.367 0 C-N-CA 120.769 -0.729 . . . . 61.54 112.488 -179.855 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 86.98 123.44 1.66 Allowed Glycine 0 N--CA 1.452 -0.267 0 C-N-CA 120.72 -0.752 . . . . 62.0 112.507 -179.891 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . -70.99 -43.04 58.45 Favored Glycine 0 N--CA 1.452 -0.266 0 C-N-CA 120.697 -0.764 . . . . 71.15 112.443 -179.857 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 29.7 tt0 -52.09 -36.31 50.49 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 120.929 0.395 . . . . 63.31 110.924 -179.924 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 23.3 tp -62.85 -39.34 94.07 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.134 -0.485 . . . . 55.33 110.958 179.998 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 38' ' ' MET . . . . . . . . . . . . . 3.5 ttp -72.62 -25.29 61.25 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.139 -0.482 . . . . 74.23 110.931 179.806 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 7.2 ttmm -54.06 -29.21 43.31 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.161 -0.472 . . . . 72.34 110.872 180.0 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 40' ' ' LEU . . . . . 0.813 HD22 HD23 ' B' ' 51' ' ' LEU . 2.7 mt -61.64 -59.05 5.78 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.239 -0.437 . . . . 74.02 110.912 179.958 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 41' ' ' CYS . . . . . . . . . . . . . 18.2 p -69.08 -24.37 64.13 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.194 -0.457 . . . . 73.13 110.918 179.966 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 32.7 tt0 -55.75 -25.43 40.62 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 116.141 -0.481 . . . . 71.02 110.847 -179.833 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 2.7 mm-40 -54.64 -37.86 66.17 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.177 -0.465 . . . . 75.54 110.857 -179.907 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 44' ' ' ALA . . . . . 0.569 ' HB1' ' CD1' ' A' ' 15' ' ' TRP . . . -51.75 -41.92 61.95 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.206 -0.452 . . . . 51.24 111.079 179.958 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -75.26 -22.93 57.46 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.237 -0.438 . . . . 75.14 111.088 179.912 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -75.73 -48.92 19.88 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.233 -0.44 . . . . 71.52 110.934 179.955 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -54.95 -55.28 32.43 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.25 -0.432 . . . . 70.11 110.832 179.879 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 48' ' ' ALA . . . . . 0.655 ' HA ' HD12 ' A' ' 51' ' ' LEU . . . -51.94 -36.96 51.07 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.197 -0.456 . . . . 60.15 111.142 179.866 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 1.4 tt0 -63.79 -45.14 91.07 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.114 -0.494 . . . . 62.03 110.845 -179.875 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 6.2 mm-40 -74.03 -27.53 60.98 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.145 -0.48 . . . . 73.13 110.962 -179.968 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 51' ' ' LEU . . . . . 0.676 ' CD2' HD22 ' B' ' 40' ' ' LEU . 11.9 mt -73.1 -53.38 11.18 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.126 -0.488 . . . . 74.03 110.902 -179.967 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 52' ' ' PHE . . . . . . . . . . . . . 70.2 t80 -55.92 -32.45 63.79 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.223 -0.444 . . . . 45.14 110.848 179.957 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 1.9 mmmm -51.97 -59.36 4.43 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.134 -0.484 . . . . 62.22 110.914 -179.988 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 54' ' ' LEU . . . . . . . . . . . . . 4.5 mm? -75.67 -24.13 56.3 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.225 -0.443 . . . . 72.43 110.957 179.899 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 55' ' ' ALA . . . . . 0.441 ' C ' HD12 ' A' ' 59' ' ' LEU . . . -55.21 -37.67 67.43 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.104 -0.498 . . . . 64.33 111.071 179.796 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 56' ' ' GLU . . . . . 0.462 ' HB2' HD21 ' A' ' 62' ' ' LEU . 16.2 mt-10 -52.42 -29.42 24.27 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.219 -0.446 . . . . 54.34 110.863 -179.872 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 3.1 tm-20 -70.1 -47.83 60.18 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.146 -0.479 . . . . 75.33 110.974 -179.982 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -77.95 -13.61 59.82 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.168 -0.469 . . . . 74.13 110.858 -179.952 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 59' ' ' LEU . . . . . 0.726 HD22 ' HA ' ' A' ' 6' ' ' GLU . 10.7 mt -94.86 -61.46 1.49 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.203 -0.453 . . . . 70.23 110.902 -179.961 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 60' ' ' LYS . . . . . 0.519 ' HE3' HD23 ' A' ' 62' ' ' LEU . 0.0 OUTLIER -119.88 -175.94 3.08 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.176 -0.465 . . . . 63.13 110.886 179.806 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -109.81 89.76 3.11 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.187 -0.46 . . . . 54.12 110.9 179.893 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 62' ' ' LEU . . . . . 0.519 HD23 ' HE3' ' A' ' 60' ' ' LYS . 0.6 OUTLIER . . . . . 0 C--N 1.328 -0.353 0 CA-C-N 116.233 -0.44 . . . . 61.32 110.913 179.93 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 1' ' ' MET . . . . . . . . . . . . . 1.9 mtt . . . . . 0 C--O 1.232 0.182 0 CA-C-O 120.759 0.314 . . . . 72.02 110.834 . . . . . . . . . 0 0 . 1 . 002 nuclear build full ' B' B ' 2' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -114.06 177.92 4.46 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 116.27 -0.423 . . . . 63.23 110.913 179.964 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 3' ' ' LYS . . . . . 0.517 ' HB3' HD22 ' B' ' 4' ' ' LEU . 15.9 mttm -152.97 -64.53 0.16 Allowed 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.229 -0.441 . . . . 75.01 110.939 179.932 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 4' ' ' LEU . . . . . 0.517 HD22 ' HB3' ' B' ' 3' ' ' LYS . 2.3 mm? -116.49 -21.31 9.26 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.199 -0.455 . . . . 71.23 110.967 179.891 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 5' ' ' ARG . . . . . . . . . . . . . 7.7 mmt180 -69.36 -43.64 73.17 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.151 -0.477 . . . . 65.23 110.904 179.959 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 6' ' ' GLU . . . . . 0.715 ' HA ' HD22 ' B' ' 59' ' ' LEU . 0.0 OUTLIER -53.62 -29.04 36.08 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.205 -0.452 . . . . 74.43 110.882 -179.941 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' B' B ' 7' ' ' GLU . . . . . . . . . . . . . 4.6 mt-10 -57.12 -28.65 62.89 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.156 -0.475 . . . . 72.14 110.878 -179.979 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 8' ' ' ALA . . . . . . . . . . . . . . . -75.98 -27.78 57.59 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.232 -0.44 . . . . 63.34 111.129 179.927 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 9' ' ' ALA . . . . . . . . . . . . . . . -63.06 -41.12 99.39 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.231 -0.441 . . . . 73.52 111.048 179.951 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 10' ' ' LYS . . . . . . . . . . . . . 4.6 mttm -56.3 -32.66 64.8 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.232 -0.44 . . . . 53.13 110.933 179.969 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 11' ' ' LEU . . . . . . . . . . . . . 48.0 mt -51.82 -45.39 63.92 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.206 -0.452 . . . . 74.2 110.974 179.907 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 12' ' ' PHE . . . . . . . . . . . . . 22.2 m-85 -74.09 -25.96 60.1 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.137 -0.483 . . . . 74.34 110.883 179.903 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 13' ' ' GLU . . . . . . . . . . . . . 25.3 tt0 -58.16 -42.77 86.71 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.138 -0.483 . . . . 65.51 110.932 -179.9 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 14' ' ' GLU . . . . . . . . . . . . . 6.9 mt-10 -75.01 -28.06 60.35 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.129 -0.487 . . . . 62.1 110.893 -179.974 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 15' ' ' TRP . . . . . . . . . . . . . 2.6 m0 -59.7 -47.52 85.32 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.17 -0.468 . . . . 74.13 110.971 -179.935 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 16' ' ' LYS . . . . . . . . . . . . . 9.7 ttpt -77.31 -27.04 52.76 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.261 -0.427 . . . . 71.11 110.865 179.884 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 17' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -67.02 -51.79 50.53 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.302 -0.408 . . . . 72.54 110.877 179.855 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 18' ' ' LEU . . . . . 0.435 HD12 'CL ' ' A' ' 101' ' ' HLT . 50.2 mt -56.53 -26.42 54.7 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.215 -0.448 . . . . 55.31 110.921 179.898 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 19' ' ' ALA . . . . . . . . . . . . . . . -72.72 -21.7 61.0 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.149 -0.478 . . . . 74.23 111.111 179.8 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 20' ' ' GLU . . . . . . . . . . . . . 11.7 mt-10 -73.14 -49.38 28.63 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.245 -0.434 . . . . 74.5 110.912 -179.913 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 21' ' ' GLU . . . . . . . . . . . . . 1.9 mm-40 -73.96 -51.46 15.94 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.106 -0.497 . . . . 71.24 110.851 -179.951 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 22' ' ' ALA . . . . . . . . . . . . . . . -53.27 -30.19 37.19 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.177 -0.465 . . . . 72.13 111.08 179.99 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 23' ' ' ALA . . . . . . . . . . . . . . . -71.32 -54.04 12.17 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.207 -0.452 . . . . 73.4 111.079 179.942 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 24' ' ' LYS . . . . . . . . . . . . . 14.0 ptmt -64.75 -33.19 75.39 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.234 -0.439 . . . . 72.22 110.842 179.998 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 25' ' ' LEU . . . . . . . . . . . . . 4.4 mt -76.39 -41.21 48.63 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.285 -0.416 . . . . 53.15 110.914 179.933 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 26' ' ' LEU . . . . . . . . . . . . . 3.8 mt -50.88 -48.63 60.31 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.214 -0.448 . . . . 71.4 110.899 179.915 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 27' ' ' GLU . . . . . . . . . . . . . 37.0 mm-40 -95.1 12.61 28.03 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.22 -0.446 . . . . 75.51 110.912 179.985 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 28' ' ' GLY . . . . . . . . . . . . . . . -59.65 -14.51 29.27 Favored Glycine 0 N--CA 1.451 -0.36 0 C-N-CA 120.734 -0.746 . . . . 71.24 112.525 -179.988 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 29' ' ' GLY . . . . . . . . . . . . . . . 136.48 46.33 0.08 OUTLIER Glycine 0 N--CA 1.451 -0.349 0 C-N-CA 120.803 -0.713 . . . . 44.11 112.515 -179.921 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 30' ' ' GLY . . . . . . . . . . . . . . . -136.51 44.3 1.16 Allowed Glycine 0 N--CA 1.451 -0.346 0 C-N-CA 120.728 -0.749 . . . . 51.34 112.531 -179.936 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 31' ' ' GLY . . . . . . . . . . . . . . . 151.57 63.16 0.01 OUTLIER Glycine 0 N--CA 1.452 -0.283 0 C-N-CA 120.732 -0.746 . . . . 72.43 112.487 -179.895 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 32' ' ' GLY . . . . . . . . . . . . . . . 57.1 -102.5 0.21 Allowed Glycine 0 N--CA 1.452 -0.283 0 C-N-CA 120.695 -0.764 . . . . 74.32 112.513 -179.905 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 33' ' ' GLY . . . . . . . . . . . . . . . 178.69 -128.96 1.32 Allowed Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.791 -0.719 . . . . 50.3 112.475 -179.924 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 34' ' ' GLY . . . . . . . . . . . . . . . 86.61 123.2 1.54 Allowed Glycine 0 N--CA 1.451 -0.346 0 C-N-CA 120.744 -0.741 . . . . 74.12 112.497 -179.866 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 35' ' ' GLY . . . . . . . . . . . . . . . -70.75 -43.1 60.34 Favored Glycine 0 N--CA 1.452 -0.276 0 C-N-CA 120.696 -0.764 . . . . 55.42 112.46 -179.899 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 36' ' ' GLU . . . . . . . . . . . . . 29.7 tt0 -52.25 -34.53 46.54 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.909 0.385 . . . . 63.22 110.904 -179.882 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 37' ' ' LEU . . . . . . . . . . . . . 23.0 tp -61.39 -39.3 90.18 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.109 -0.496 . . . . 75.21 110.925 -179.967 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 38' ' ' MET . . . . . . . . . . . . . 3.6 ttp -72.63 -26.92 61.85 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.182 -0.463 . . . . 75.23 110.832 179.861 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 39' ' ' LYS . . . . . . . . . . . . . 7.2 ttmm -56.17 -27.97 56.37 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.246 -0.433 . . . . 73.3 110.889 179.949 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 40' ' ' LEU . . . . . 0.676 HD22 ' CD2' ' A' ' 51' ' ' LEU . 2.2 mt -59.87 -58.88 6.67 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.275 -0.42 . . . . 62.33 110.915 179.937 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 41' ' ' CYS . . . . . . . . . . . . . 18.5 p -69.38 -23.74 63.78 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.216 -0.447 . . . . 71.31 110.892 179.947 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 42' ' ' GLU . . . . . . . . . . . . . 32.8 tt0 -54.96 -25.35 29.04 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.143 -0.48 . . . . 74.21 110.863 -179.863 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 43' ' ' GLU . . . . . . . . . . . . . 2.8 mm-40 -54.12 -34.78 61.17 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.142 -0.481 . . . . 72.13 110.922 -179.922 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 44' ' ' ALA . . . . . . . . . . . . . . . -51.66 -41.76 61.6 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.176 -0.466 . . . . 74.21 111.068 179.938 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 45' ' ' ALA . . . . . . . . . . . . . . . -75.23 -23.45 57.55 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.173 -0.467 . . . . 74.41 111.082 179.963 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 46' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -78.07 -50.14 12.62 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.316 -0.402 . . . . 75.51 110.847 179.946 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 47' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -55.55 -55.09 35.98 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.203 -0.453 . . . . 62.12 110.859 179.961 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 48' ' ' ALA . . . . . 0.704 ' HA ' HD12 ' B' ' 51' ' ' LEU . . . -51.9 -36.83 50.13 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.322 -0.399 . . . . 71.21 111.085 179.822 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 49' ' ' GLU . . . . . . . . . . . . . 1.4 tt0 -64.0 -45.02 90.84 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.232 -0.44 . . . . 73.41 110.85 -179.893 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 50' ' ' GLU . . . . . . . . . . . . . 6.2 mm-40 -74.13 -27.17 60.73 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.182 -0.463 . . . . 72.24 110.846 -179.934 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 51' ' ' LEU . . . . . 0.813 HD23 HD22 ' A' ' 40' ' ' LEU . 12.0 mt -72.68 -52.08 16.74 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.191 -0.459 . . . . 74.4 110.886 -179.936 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 52' ' ' PHE . . . . . . . . . . . . . 71.5 t80 -54.61 -33.7 60.87 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.157 -0.474 . . . . 73.32 110.88 179.959 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 53' ' ' LYS . . . . . . . . . . . . . 1.9 mmmm -52.52 -59.27 4.65 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.15 -0.477 . . . . 72.32 110.859 179.959 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 54' ' ' LEU . . . . . . . . . . . . . 4.5 mm? -75.29 -25.0 57.57 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.288 -0.415 . . . . 63.21 110.902 179.956 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 55' ' ' ALA . . . . . 0.449 ' C ' HD12 ' B' ' 59' ' ' LEU . . . -53.95 -38.0 64.49 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.218 -0.446 . . . . 74.23 111.158 179.769 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 56' ' ' GLU . . . . . 0.507 ' HB2' HD21 ' B' ' 62' ' ' LEU . 15.9 mt-10 -52.99 -29.51 29.62 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.175 -0.466 . . . . 73.04 110.908 -179.934 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 57' ' ' GLU . . . . . . . . . . . . . 3.1 tm-20 -70.37 -47.7 59.74 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.138 -0.483 . . . . 73.11 110.888 -179.909 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 58' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -77.88 -13.4 59.9 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.163 -0.471 . . . . 74.34 110.912 -179.965 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 59' ' ' LEU . . . . . 0.715 HD22 ' HA ' ' B' ' 6' ' ' GLU . 11.5 mt -95.11 -60.93 1.57 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.152 -0.476 . . . . 74.12 110.942 179.962 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 60' ' ' LYS . . . . . 0.507 ' HE3' HD23 ' B' ' 62' ' ' LEU . 0.0 OUTLIER -119.8 -175.64 3.01 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.155 -0.475 . . . . 74.15 110.889 179.823 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' B' B ' 61' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -109.52 89.66 3.07 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.243 -0.435 . . . . 55.03 110.908 179.869 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 62' ' ' LEU . . . . . 0.507 HD21 ' HB2' ' B' ' 56' ' ' GLU . 0.6 OUTLIER . . . . . 0 C--N 1.328 -0.327 0 CA-C-N 116.185 -0.461 . . . . 63.44 110.919 179.968 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 101' ' ' HLT . . . . . 0.435 'CL ' HD12 ' B' ' 18' ' ' LEU . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 C--O 1.231 0.112 0 CA-C-O 120.847 0.356 . . . . 72.24 110.861 . . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -155.07 -179.84 8.45 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.269 -0.423 . . . . 73.41 110.863 179.937 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -127.6 -48.62 1.4 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.188 -0.46 . . . . 74.25 110.921 179.813 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 4.4 mm? -52.27 -67.23 0.27 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.243 -0.435 . . . . 74.22 110.852 179.949 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 8.5 ptp180 -67.33 -36.43 81.43 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.184 -0.462 . . . . 70.24 110.908 -180.0 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 6' ' ' GLU . . . . . 0.428 ' CA ' HD13 ' A' ' 59' ' ' LEU . 1.2 tm-20 -54.28 -27.6 36.35 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.178 -0.465 . . . . 74.13 110.859 -179.941 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 2.1 mt-10 -56.49 -55.01 39.13 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.193 -0.458 . . . . 71.3 110.872 -179.942 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -52.96 -28.58 24.36 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.126 -0.488 . . . . 52.43 111.116 179.947 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 9' ' ' ALA . . . . . 0.43 ' CB ' ' HB1' ' A' ' 55' ' ' ALA . . . -73.94 -41.58 61.84 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.219 -0.446 . . . . 65.55 111.175 179.907 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -63.17 -34.18 77.08 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.197 -0.456 . . . . 64.55 110.864 179.982 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 63.4 mt -51.75 -43.97 63.13 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.228 -0.442 . . . . 75.23 110.973 179.884 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 12' ' ' PHE . . . . . 0.598 ' CE1' HD11 ' B' ' 26' ' ' LEU . 22.9 m-85 -74.16 -24.83 59.45 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.162 -0.472 . . . . 73.32 110.901 179.938 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 3.8 tt0 -56.37 -41.04 75.55 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.159 -0.473 . . . . 72.52 110.869 -179.934 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 8.5 mt-10 -65.04 -34.81 79.31 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.175 -0.466 . . . . 64.53 110.837 -179.955 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 15' ' ' TRP . . . . . 0.442 ' CG ' ' HB2' ' A' ' 48' ' ' ALA . 6.4 t90 -64.24 -46.35 84.18 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.226 -0.443 . . . . 75.55 110.909 -179.94 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 5.8 ptmm? -77.53 -26.97 51.52 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.26 -0.427 . . . . 63.04 110.913 179.885 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -75.05 -59.73 2.61 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.215 -0.448 . . . . 63.32 110.916 179.862 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 95.5 mt -54.85 -29.55 55.45 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.231 -0.44 . . . . 74.11 110.899 179.921 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -66.0 -27.86 68.44 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.148 -0.478 . . . . 75.44 111.117 179.795 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 2.2 mt-10 -73.42 -49.41 27.16 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.167 -0.469 . . . . 74.33 110.915 -179.936 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 1.8 mm-40 -72.74 -51.2 20.14 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.138 -0.483 . . . . 73.31 110.903 -179.956 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -54.09 -30.74 49.57 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.104 -0.498 . . . . 64.31 111.123 179.896 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -71.07 -54.44 11.12 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.219 -0.446 . . . . 52.45 111.021 179.953 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -63.54 -34.17 77.2 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.203 -0.453 . . . . 75.31 110.96 179.986 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 5.8 mt -76.64 -39.22 52.99 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.15 -0.477 . . . . 73.44 110.943 179.882 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 6.5 mt -50.61 -50.68 53.46 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.236 -0.438 . . . . 73.13 110.907 179.875 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 7.0 mm-40 -90.74 12.44 19.15 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.176 -0.466 . . . . 71.51 110.874 -179.991 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . -59.45 -14.52 27.87 Favored Glycine 0 N--CA 1.452 -0.292 0 C-N-CA 120.763 -0.732 . . . . 70.11 112.423 -179.941 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . 135.47 45.49 0.1 OUTLIER Glycine 0 N--CA 1.452 -0.279 0 C-N-CA 120.72 -0.753 . . . . 74.43 112.494 -179.844 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . -95.89 -75.66 1.28 Allowed Glycine 0 N--CA 1.452 -0.266 0 C-N-CA 120.769 -0.729 . . . . 64.11 112.446 -179.879 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . 176.61 126.35 0.96 Allowed Glycine 0 N--CA 1.452 -0.291 0 C-N-CA 120.745 -0.74 . . . . 54.23 112.436 -179.897 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . -168.66 -152.32 7.64 Favored Glycine 0 N--CA 1.452 -0.278 0 C-N-CA 120.69 -0.767 . . . . 44.24 112.475 -179.947 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . 179.67 -40.43 0.08 OUTLIER Glycine 0 N--CA 1.451 -0.331 0 C-N-CA 120.821 -0.704 . . . . 63.34 112.528 -179.872 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . -112.27 152.09 17.9 Favored Glycine 0 N--CA 1.451 -0.335 0 C-N-CA 120.772 -0.727 . . . . 75.4 112.465 -179.922 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . -63.54 -25.74 69.04 Favored Glycine 0 N--CA 1.451 -0.306 0 C-N-CA 120.694 -0.765 . . . . 54.44 112.492 -179.961 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 27.9 tt0 -52.71 -31.97 40.46 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.858 0.361 . . . . 72.44 110.936 -179.906 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 46.7 tp -53.44 -54.78 31.99 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.119 -0.491 . . . . 72.32 110.938 179.961 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 38' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -70.87 -36.34 72.75 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.196 -0.456 . . . . 53.01 110.89 179.835 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 30.9 tttt -54.12 -27.93 36.42 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.23 -0.441 . . . . 75.11 110.867 179.975 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 7.0 mt -69.99 -47.2 63.17 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.272 -0.422 . . . . 62.55 110.895 179.933 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 41' ' ' CYS . . . . . 0.506 ' HA ' HD11 ' B' ' 51' ' ' LEU . 34.9 t -74.86 -29.92 61.17 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.179 -0.464 . . . . 70.21 110.827 179.994 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 16.8 mm-40 -58.03 -25.83 61.65 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.202 -0.454 . . . . 73.35 110.946 -179.955 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 6.1 mm-40 -54.83 -37.37 66.07 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.21 -0.45 . . . . 72.43 110.839 -179.92 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 44' ' ' ALA . . . . . 0.426 ' HB2' ' CZ3' ' B' ' 15' ' ' TRP . . . -51.78 -41.88 61.99 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.168 -0.469 . . . . 74.4 111.114 179.952 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -75.16 -22.83 57.83 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.255 -0.429 . . . . 55.13 111.074 179.919 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -74.97 -49.33 20.34 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.219 -0.446 . . . . 73.4 110.834 -179.984 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 9.2 mmpt? -72.99 -49.41 29.21 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.229 -0.442 . . . . 72.41 110.889 179.932 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 48' ' ' ALA . . . . . 0.442 ' HB2' ' CG ' ' A' ' 15' ' ' TRP . . . -51.99 -29.63 21.52 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.238 -0.437 . . . . 72.34 111.11 179.821 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 16.4 tt0 -74.69 -48.1 27.86 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.235 -0.439 . . . . 73.14 110.866 -179.966 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -56.02 -43.91 78.2 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.205 -0.452 . . . . 75.1 110.832 -179.885 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 51' ' ' LEU . . . . . 0.589 HD22 ' CZ ' ' A' ' 12' ' ' PHE . 8.5 mt -73.14 -46.85 48.63 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.144 -0.48 . . . . 62.12 110.892 -179.975 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 52' ' ' PHE . . . . . . . . . . . . . 65.1 t80 -56.5 -24.96 49.75 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.24 -0.437 . . . . 74.2 110.878 179.98 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -68.05 -47.71 67.59 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.148 -0.478 . . . . 74.42 110.889 179.915 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 54' ' ' LEU . . . . . 0.627 HD23 HH12 ' A' ' 58' ' ' ARG . 1.1 tp -73.28 -24.09 60.38 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.29 -0.414 . . . . 71.21 110.958 179.919 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 55' ' ' ALA . . . . . 0.43 ' HB1' ' CB ' ' A' ' 9' ' ' ALA . . . -55.93 -24.81 40.07 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.17 -0.468 . . . . 63.54 111.123 179.761 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 56' ' ' GLU . . . . . 0.649 ' HB2' HD11 ' A' ' 62' ' ' LEU . 9.4 mt-10 -77.53 -26.31 50.93 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.211 -0.45 . . . . 71.01 110.831 -179.942 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 19.7 tp10 -65.43 -49.38 69.41 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.236 -0.438 . . . . 74.41 110.831 -179.918 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 58' ' ' ARG . . . . . 0.627 HH12 HD23 ' A' ' 54' ' ' LEU . 0.0 OUTLIER -78.62 -15.33 58.65 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.182 -0.463 . . . . 64.31 110.849 -179.876 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 59' ' ' LEU . . . . . 0.428 HD13 ' CA ' ' A' ' 6' ' ' GLU . 22.2 tp -92.6 -76.99 0.45 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.221 -0.445 . . . . 74.3 110.867 -179.922 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -102.49 -175.09 2.72 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.201 -0.454 . . . . 70.5 110.917 179.83 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 24.4 tttt -118.21 90.69 3.39 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.248 -0.433 . . . . 73.31 110.944 179.837 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 62' ' ' LEU . . . . . 0.649 HD11 ' HB2' ' A' ' 56' ' ' GLU . 2.8 mt . . . . . 0 C--N 1.329 -0.32 0 CA-C-N 116.259 -0.428 . . . . 73.0 110.896 179.967 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 1' ' ' MET . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 C--O 1.231 0.087 0 CA-C-O 120.815 0.34 . . . . 55.33 110.861 . . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 2' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -155.06 -179.94 8.54 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.242 -0.435 . . . . 73.51 110.956 179.938 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 3' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -127.68 -48.39 1.39 Allowed 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.245 -0.434 . . . . 75.33 110.929 179.872 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 4' ' ' LEU . . . . . . . . . . . . . 4.4 mm? -52.13 -67.38 0.26 Allowed 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.22 -0.446 . . . . 51.5 110.872 179.915 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 5' ' ' ARG . . . . . . . . . . . . . 8.6 ptp180 -67.32 -36.37 81.33 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.205 -0.452 . . . . 73.04 110.867 179.941 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 6' ' ' GLU . . . . . 0.44 ' CA ' HD13 ' B' ' 59' ' ' LEU . 1.2 tm-20 -53.97 -28.93 40.57 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.258 -0.428 . . . . 64.55 110.845 -179.899 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 7' ' ' GLU . . . . . . . . . . . . . 2.1 mt-10 -57.33 -56.37 22.71 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.182 -0.463 . . . . 62.25 110.842 -179.913 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 8' ' ' ALA . . . . . . . . . . . . . . . -54.05 -27.14 30.51 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.159 -0.473 . . . . 61.24 111.12 179.914 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 9' ' ' ALA . . . . . 0.527 ' CB ' ' HB1' ' B' ' 55' ' ' ALA . . . -73.55 -41.38 63.04 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.23 -0.441 . . . . 41.43 111.102 179.96 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 10' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -62.48 -33.53 75.04 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.228 -0.442 . . . . 51.42 110.879 179.985 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 11' ' ' LEU . . . . . . . . . . . . . 62.1 mt -51.89 -43.54 63.36 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.215 -0.448 . . . . 73.21 110.859 179.971 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 12' ' ' PHE . . . . . 0.61 ' CE1' HD13 ' B' ' 51' ' ' LEU . 24.7 m-85 -74.12 -26.76 60.52 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.252 -0.431 . . . . 74.53 110.855 179.951 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 13' ' ' GLU . . . . . . . . . . . . . 3.7 tt0 -62.96 -45.06 94.25 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.177 -0.465 . . . . 73.41 110.888 -179.905 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 14' ' ' GLU . . . . . . . . . . . . . 8.4 mt-10 -74.4 -32.5 62.71 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.117 -0.492 . . . . 62.32 110.912 -179.937 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 15' ' ' TRP . . . . . 0.426 ' CZ3' ' HB2' ' A' ' 44' ' ' ALA . 0.6 OUTLIER -60.83 -44.63 96.67 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.162 -0.472 . . . . 70.14 110.893 -179.961 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' B' B ' 16' ' ' LYS . . . . . . . . . . . . . 5.7 ptmm? -77.08 -24.64 51.85 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.227 -0.442 . . . . 75.32 110.892 179.929 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 17' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -74.81 -51.44 14.03 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.196 -0.456 . . . . 64.14 110.931 179.854 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 18' ' ' LEU . . . . . 0.461 HD12 'CL ' ' A' ' 101' ' ' HLT . 97.5 mt -54.96 -28.45 51.48 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.254 -0.43 . . . . 74.35 110.843 179.917 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 19' ' ' ALA . . . . . . . . . . . . . . . -64.2 -25.54 68.12 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.244 -0.435 . . . . 65.43 111.09 179.85 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 20' ' ' GLU . . . . . . . . . . . . . 2.1 mt-10 -73.13 -49.37 28.67 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.203 -0.453 . . . . 61.51 110.835 -179.89 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 21' ' ' GLU . . . . . . . . . . . . . 1.8 mm-40 -72.16 -51.2 22.39 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.167 -0.469 . . . . 64.4 110.889 -179.907 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 22' ' ' ALA . . . . . . . . . . . . . . . -54.44 -30.75 53.69 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.115 -0.493 . . . . 52.5 111.155 179.923 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 23' ' ' ALA . . . . . . . . . . . . . . . -71.16 -54.34 11.37 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.168 -0.469 . . . . 75.15 111.085 179.972 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 24' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -63.42 -34.24 77.31 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.222 -0.445 . . . . 72.44 110.974 179.902 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 25' ' ' LEU . . . . . 0.416 HD23 ' HA ' ' B' ' 25' ' ' LEU . 6.0 mt -76.68 -39.33 52.48 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.174 -0.466 . . . . 62.22 110.907 179.915 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 26' ' ' LEU . . . . . 0.598 HD11 ' CE1' ' A' ' 12' ' ' PHE . 6.5 mt -50.69 -50.17 55.58 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.14 -0.482 . . . . 75.22 110.974 179.917 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 27' ' ' GLU . . . . . . . . . . . . . 7.1 mm-40 -90.8 12.39 19.44 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.221 -0.445 . . . . 74.11 110.891 179.869 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 28' ' ' GLY . . . . . . . . . . . . . . . -59.25 -14.6 26.81 Favored Glycine 0 N--CA 1.451 -0.356 0 C-N-CA 120.76 -0.734 . . . . 62.25 112.528 179.945 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 29' ' ' GLY . . . . . . . . . . . . . . . 136.46 45.25 0.09 OUTLIER Glycine 0 N--CA 1.452 -0.291 0 C-N-CA 120.719 -0.753 . . . . 73.32 112.476 -179.931 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 30' ' ' GLY . . . . . . . . . . . . . . . -96.03 -73.15 1.16 Allowed Glycine 0 N--CA 1.451 -0.335 0 C-N-CA 120.764 -0.731 . . . . 72.23 112.503 -179.93 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 31' ' ' GLY . . . . . . . . . . . . . . . 178.45 124.75 0.88 Allowed Glycine 0 N--CA 1.45 -0.372 0 C-N-CA 120.751 -0.738 . . . . 42.01 112.495 -179.945 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 32' ' ' GLY . . . . . . . . . . . . . . . -169.74 -150.68 6.95 Favored Glycine 0 N--CA 1.451 -0.335 0 C-N-CA 120.741 -0.743 . . . . 63.21 112.494 -179.919 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 33' ' ' GLY . . . . . . . . . . . . . . . -179.23 -40.19 0.07 OUTLIER Glycine 0 N--CA 1.451 -0.355 0 C-N-CA 120.784 -0.722 . . . . 73.4 112.465 -179.865 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 34' ' ' GLY . . . . . . . . . . . . . . . -112.64 152.13 17.98 Favored Glycine 0 N--CA 1.45 -0.383 0 C-N-CA 120.728 -0.749 . . . . 32.44 112.528 -179.893 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 35' ' ' GLY . . . . . . . . . . . . . . . -63.25 -25.57 68.48 Favored Glycine 0 N--CA 1.451 -0.332 0 C-N-CA 120.714 -0.755 . . . . 41.33 112.538 -179.95 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 36' ' ' GLU . . . . . . . . . . . . . 27.7 tt0 -52.59 -30.45 31.16 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.879 0.371 . . . . 74.2 110.907 -179.917 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 37' ' ' LEU . . . . . . . . . . . . . 49.0 tp -51.94 -54.99 23.07 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.103 -0.499 . . . . 73.33 110.92 -179.973 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 38' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -71.12 -39.14 72.22 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.195 -0.457 . . . . 50.51 110.82 179.865 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 39' ' ' LYS . . . . . . . . . . . . . 31.1 tttt -56.32 -28.11 57.81 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.248 -0.433 . . . . 72.14 110.881 -179.984 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 40' ' ' LEU . . . . . . . . . . . . . 6.9 mt -70.98 -46.11 62.88 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.207 -0.451 . . . . 73.02 110.93 179.963 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 41' ' ' CYS . . . . . . . . . . . . . 29.2 t -74.58 -27.43 60.48 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.178 -0.464 . . . . 53.43 110.894 179.937 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 42' ' ' GLU . . . . . . . . . . . . . 16.7 mm-40 -54.28 -25.76 25.39 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.212 -0.449 . . . . 62.12 110.896 -179.875 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 43' ' ' GLU . . . . . . . . . . . . . 6.2 mm-40 -55.47 -33.62 63.81 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.167 -0.47 . . . . 45.1 110.897 -179.981 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 44' ' ' ALA . . . . . . . . . . . . . . . -51.2 -43.49 61.37 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.101 -0.5 . . . . 25.44 111.118 179.966 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 45' ' ' ALA . . . . . . . . . . . . . . . -75.33 -22.74 57.39 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.16 -0.473 . . . . 62.45 111.099 179.921 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 46' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -77.43 -50.34 12.9 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.236 -0.438 . . . . 73.3 110.978 179.882 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 47' ' ' LYS . . . . . . . . . . . . . 9.2 mmpt? -70.6 -54.05 13.53 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.207 -0.452 . . . . 40.42 110.913 179.823 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 48' ' ' ALA . . . . . . . . . . . . . . . -52.05 -29.55 21.73 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.222 -0.445 . . . . 75.32 111.096 179.849 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 49' ' ' GLU . . . . . . . . . . . . . 16.4 tt0 -77.08 -48.17 18.54 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.215 -0.448 . . . . 63.3 110.849 -179.932 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 50' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -53.96 -39.62 66.12 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.135 -0.484 . . . . 71.13 110.926 -179.921 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 51' ' ' LEU . . . . . 0.61 HD13 ' CE1' ' B' ' 12' ' ' PHE . 8.3 mt -72.27 -42.84 65.11 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.135 -0.484 . . . . 35.21 110.928 -179.993 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 52' ' ' PHE . . . . . . . . . . . . . 65.8 t80 -56.08 -25.24 44.57 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.214 -0.448 . . . . 73.54 110.932 179.886 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 53' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -67.9 -47.95 67.38 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.085 -0.507 . . . . 72.24 110.846 -179.995 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 54' ' ' LEU . . . . . 0.618 HD23 HH12 ' B' ' 58' ' ' ARG . 1.1 tp -72.63 -24.05 61.01 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.2 -0.455 . . . . 71.23 110.912 179.919 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 55' ' ' ALA . . . . . 0.527 ' HB1' ' CB ' ' B' ' 9' ' ' ALA . . . -55.99 -24.8 41.03 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.232 -0.44 . . . . 52.43 111.175 179.765 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 56' ' ' GLU . . . . . 0.624 ' HB2' HD11 ' B' ' 62' ' ' LEU . 9.6 mt-10 -77.57 -26.07 50.55 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.176 -0.466 . . . . 74.02 110.924 -179.956 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 57' ' ' GLU . . . . . . . . . . . . . 19.7 tp10 -65.35 -49.27 70.0 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.172 -0.467 . . . . 65.15 110.884 -179.951 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 58' ' ' ARG . . . . . 0.618 HH12 HD23 ' B' ' 54' ' ' LEU . 0.0 OUTLIER -78.72 -15.61 58.24 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.202 -0.453 . . . . 74.22 110.84 -179.919 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' B' B ' 59' ' ' LEU . . . . . 0.44 HD13 ' CA ' ' B' ' 6' ' ' GLU . 22.7 tp -92.06 -77.05 0.44 Allowed 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.187 -0.46 . . . . 62.4 110.937 179.986 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 60' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -102.42 -175.2 2.76 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.234 -0.439 . . . . 75.43 110.899 179.821 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 61' ' ' LYS . . . . . . . . . . . . . 24.4 tttt -118.43 90.65 3.38 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.242 -0.436 . . . . 64.34 110.906 179.887 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 62' ' ' LEU . . . . . 0.624 HD11 ' HB2' ' B' ' 56' ' ' GLU . 2.8 mt . . . . . 0 C--N 1.328 -0.345 0 CA-C-N 116.24 -0.436 . . . . 50.12 110.946 179.934 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 101' ' ' HLT . . . . . 0.461 'CL ' HD12 ' B' ' 18' ' ' LEU . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.231 0.093 0 CA-C-O 120.838 0.352 . . . . 51.35 110.842 . . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -86.44 164.32 17.06 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.266 -0.424 . . . . 64.24 110.889 179.951 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 11.5 tttt -139.19 -74.13 0.38 Allowed 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.236 -0.438 . . . . 72.53 110.873 179.837 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 4' ' ' LEU . . . . . 0.527 ' H ' HD23 ' A' ' 4' ' ' LEU . 2.1 pt? -125.36 -1.56 7.55 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.243 -0.435 . . . . 64.44 110.864 -179.997 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 16.5 mmt180 -64.9 -29.36 70.31 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.216 -0.447 . . . . 72.25 110.845 179.981 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 1.8 mt-10 -57.27 -28.13 62.71 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.171 -0.468 . . . . 70.43 110.883 -179.932 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 3.4 mm-40 -54.76 -35.51 63.84 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.22 -0.445 . . . . 63.22 110.943 -179.98 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -72.0 -27.0 62.45 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.11 -0.495 . . . . 74.21 111.07 179.972 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 9' ' ' ALA . . . . . 0.476 ' N ' HD22 ' A' ' 59' ' ' LEU . . . -60.67 -40.35 91.78 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.203 -0.453 . . . . 72.3 111.096 179.947 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 11.9 mtmt -58.56 -30.49 67.18 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.175 -0.466 . . . . 61.12 110.894 179.975 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 61.3 mt -51.92 -44.59 63.92 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.227 -0.442 . . . . 74.22 110.878 179.939 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 24.3 m-85 -73.94 -25.86 60.19 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.172 -0.467 . . . . 71.13 110.916 179.978 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 1.2 tt0 -58.44 -38.49 77.59 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.145 -0.48 . . . . 53.34 110.933 -179.969 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 22.7 mt-10 -74.0 -35.12 64.4 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.136 -0.483 . . . . 64.44 110.897 -179.935 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 15' ' ' TRP . . . . . . . . . . . . . 14.3 m0 -54.98 -53.16 59.22 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.15 -0.477 . . . . 74.41 110.87 -179.929 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -70.94 -26.03 63.01 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.201 -0.454 . . . . 71.43 110.896 -179.985 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -69.08 -60.02 2.64 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.194 -0.457 . . . . 62.12 110.939 179.844 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 18' ' ' LEU . . . . . 1.037 HD13 HD13 ' B' ' 18' ' ' LEU . 2.5 mt -56.53 -25.19 51.1 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.289 -0.414 . . . . 72.52 110.895 179.857 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 19' ' ' ALA . . . . . 0.413 ' HB2' 'CL ' ' A' ' 101' ' ' HLT . . . -73.34 -29.53 62.73 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.249 -0.432 . . . . 75.14 111.079 179.838 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 21.1 tt0 -73.14 -49.95 25.42 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.248 -0.433 . . . . 71.51 110.89 -179.862 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 9.6 pt-20 -56.79 -46.42 81.57 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.073 -0.512 . . . . 63.14 110.915 -179.958 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -64.2 -32.95 74.72 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.121 -0.49 . . . . 73.13 111.12 179.928 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -70.95 -49.71 42.59 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.16 -0.473 . . . . 64.24 111.124 179.938 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -64.45 -36.66 84.9 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.244 -0.435 . . . . 71.51 110.839 179.936 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 11.2 mt -76.65 -38.75 54.04 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.307 -0.406 . . . . 71.43 110.934 179.942 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 6.2 mt -50.22 -46.31 54.55 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.212 -0.449 . . . . 73.32 110.957 179.828 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 37.1 mt-10 -89.4 -11.6 42.72 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.161 -0.472 . . . . 52.43 110.93 179.913 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . 67.32 29.86 74.73 Favored Glycine 0 N--CA 1.452 -0.276 0 C-N-CA 120.706 -0.759 . . . . 61.14 112.495 -179.98 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . 85.85 19.96 56.77 Favored Glycine 0 N--CA 1.452 -0.29 0 C-N-CA 120.685 -0.769 . . . . 52.31 112.507 -179.885 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . 134.39 112.71 1.3 Allowed Glycine 0 N--CA 1.452 -0.285 0 C-N-CA 120.737 -0.744 . . . . 53.31 112.466 -179.872 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . 143.12 -157.12 26.79 Favored Glycine 0 N--CA 1.45 -0.386 0 C-N-CA 120.76 -0.733 . . . . 72.04 112.522 -179.934 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . 91.48 166.21 40.08 Favored Glycine 0 N--CA 1.452 -0.286 0 C-N-CA 120.766 -0.731 . . . . 65.53 112.44 -179.902 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -76.16 80.45 1.11 Allowed Glycine 0 N--CA 1.451 -0.35 0 C-N-CA 120.696 -0.764 . . . . 34.12 112.492 -179.91 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 74.7 173.12 30.39 Favored Glycine 0 N--CA 1.452 -0.235 0 C-N-CA 120.676 -0.773 . . . . 61.42 112.422 -179.943 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . -100.56 -22.53 11.21 Favored Glycine 0 N--CA 1.451 -0.326 0 C-N-CA 120.77 -0.728 . . . . 73.12 112.489 -179.932 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 2.9 tt0 -61.38 -41.88 97.81 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.907 0.384 . . . . 71.23 110.865 -179.905 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 52.6 tp -58.41 -48.95 78.99 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.087 -0.506 . . . . 74.31 110.896 -179.936 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 38' ' ' MET . . . . . . . . . . . . . 1.3 ttp -72.12 -28.19 63.11 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.168 -0.469 . . . . 74.23 110.891 179.859 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -54.89 -28.16 48.36 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.236 -0.438 . . . . 74.54 110.933 179.934 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 16.9 mt -72.07 -33.45 67.93 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.217 -0.447 . . . . 61.33 110.876 179.958 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 41' ' ' CYS . . . . . . . . . . . . . 33.4 m -72.0 -39.27 69.35 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 116.187 -0.46 . . . . 64.21 110.848 179.942 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 2.7 tt0 -61.33 -26.52 67.86 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.231 -0.441 . . . . 63.34 110.897 -179.854 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 3.6 mm-40 -55.44 -26.31 41.32 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.125 -0.489 . . . . 73.41 110.886 -179.998 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 44' ' ' ALA . . . . . 0.51 ' HB1' 'BR ' ' A' ' 101' ' ' HLT . . . -52.5 -43.68 65.21 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.188 -0.46 . . . . 62.32 111.139 179.966 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -75.07 -25.13 58.37 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.225 -0.443 . . . . 70.22 111.064 179.939 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -67.86 -46.06 72.81 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.202 -0.453 . . . . 62.53 110.935 179.967 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -55.49 -54.33 45.28 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.222 -0.445 . . . . 64.22 110.901 179.832 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -61.11 -31.45 71.15 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.213 -0.449 . . . . 53.45 111.132 179.808 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 9.6 mt-10 -74.09 -30.19 62.22 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.223 -0.444 . . . . 72.31 110.877 -179.946 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 18.1 tt0 -71.38 -50.8 28.51 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.1 -0.5 . . . . 62.05 110.914 -179.867 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 2.5 pp -69.64 -29.36 66.82 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.108 -0.496 . . . . 74.43 110.893 -179.986 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 52' ' ' PHE . . . . . . . . . . . . . 83.8 t80 -56.39 -26.56 53.49 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.15 -0.477 . . . . 75.04 110.922 179.922 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -57.41 -57.58 12.03 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.175 -0.466 . . . . 74.33 110.916 179.948 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 54' ' ' LEU . . . . . . . . . . . . . 9.5 mt -73.9 -43.8 57.28 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.212 -0.449 . . . . 73.41 110.924 179.9 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -57.56 -27.21 62.46 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.183 -0.462 . . . . 70.41 111.079 179.863 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 1.8 tt0 -62.69 -32.55 73.65 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.21 -0.45 . . . . 75.43 110.902 -179.917 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 30.4 tt0 -59.0 -54.23 49.5 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.162 -0.472 . . . . 54.15 110.834 -179.913 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -77.62 -29.03 51.62 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.154 -0.475 . . . . 70.54 110.85 -179.905 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 59' ' ' LEU . . . . . 0.476 HD22 ' N ' ' A' ' 9' ' ' ALA . 19.7 mt -67.11 -59.73 3.21 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.298 -0.41 . . . . 75.44 110.87 -179.943 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -122.95 -89.24 0.6 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.239 -0.437 . . . . 75.02 110.848 179.874 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 174.24 34.59 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.238 -0.437 . . . . 73.21 110.862 179.842 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 C--N 1.328 -0.347 0 CA-C-N 116.192 -0.458 . . . . 64.51 110.938 179.91 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 1' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.231 0.117 0 CA-C-O 120.777 0.322 . . . . 72.34 110.896 . . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 2' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -86.4 164.32 17.1 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.227 -0.442 . . . . 74.04 110.973 179.902 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 3' ' ' LYS . . . . . . . . . . . . . 11.5 tttt -139.12 -74.21 0.38 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.258 -0.428 . . . . 71.21 110.901 179.896 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 4' ' ' LEU . . . . . 0.517 ' H ' HD23 ' B' ' 4' ' ' LEU . 2.1 pt? -125.32 -1.61 7.58 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.155 -0.475 . . . . 75.41 110.894 179.933 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 5' ' ' ARG . . . . . . . . . . . . . 16.5 mmt180 -64.9 -29.37 70.31 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.213 -0.449 . . . . 51.44 110.87 179.995 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 6' ' ' GLU . . . . . . . . . . . . . 1.8 mt-10 -57.37 -28.23 63.0 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.206 -0.452 . . . . 74.45 110.875 -179.919 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 7' ' ' GLU . . . . . . . . . . . . . 3.4 mm-40 -54.77 -35.49 63.85 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.112 -0.494 . . . . 73.01 110.925 -179.933 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 8' ' ' ALA . . . . . 0.41 ' HB3' ' CD2' ' B' ' 59' ' ' LEU . . . -72.1 -27.08 62.41 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.121 -0.49 . . . . 64.02 111.079 179.929 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 9' ' ' ALA . . . . . 0.477 ' N ' HD22 ' B' ' 59' ' ' LEU . . . -60.67 -40.31 91.6 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.251 -0.431 . . . . 74.3 111.125 179.924 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 10' ' ' LYS . . . . . . . . . . . . . 11.9 mtmt -58.54 -30.5 67.16 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.276 -0.42 . . . . 71.35 110.91 179.925 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 11' ' ' LEU . . . . . . . . . . . . . 60.9 mt -52.03 -44.49 64.21 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.246 -0.434 . . . . 63.25 110.889 179.982 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 12' ' ' PHE . . . . . . . . . . . . . 24.3 m-85 -73.96 -25.9 60.19 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.187 -0.461 . . . . 72.01 110.889 179.927 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 13' ' ' GLU . . . . . . . . . . . . . 1.3 tt0 -58.59 -38.33 77.7 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.111 -0.495 . . . . 73.33 110.798 -179.845 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 14' ' ' GLU . . . . . . . . . . . . . 22.8 mt-10 -74.11 -34.89 64.09 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.209 -0.45 . . . . 74.53 110.875 -179.9 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 15' ' ' TRP . . . . . . . . . . . . . 14.1 m0 -55.05 -53.12 59.86 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 116.126 -0.488 . . . . 75.05 110.95 -179.935 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 16' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -70.96 -26.14 63.04 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.201 -0.454 . . . . 73.11 110.882 179.888 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 17' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -68.99 -59.99 2.67 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.233 -0.44 . . . . 72.14 110.948 179.854 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 18' ' ' LEU . . . . . 1.037 HD13 HD13 ' A' ' 18' ' ' LEU . 2.5 mt -56.75 -25.13 54.21 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.145 -0.479 . . . . 63.32 110.889 179.905 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 19' ' ' ALA . . . . . . . . . . . . . . . -73.37 -29.6 62.74 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.217 -0.447 . . . . 73.32 111.073 179.79 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 20' ' ' GLU . . . . . . . . . . . . . 21.1 tt0 -73.07 -49.9 25.94 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.206 -0.452 . . . . 75.31 110.965 -179.87 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 21' ' ' GLU . . . . . . . . . . . . . 9.7 pt-20 -56.82 -46.5 81.62 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.127 -0.488 . . . . 75.02 110.897 179.989 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 22' ' ' ALA . . . . . . . . . . . . . . . -64.13 -32.97 74.74 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.16 -0.473 . . . . 74.21 111.137 179.918 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 23' ' ' ALA . . . . . . . . . . . . . . . -70.86 -49.77 42.47 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.193 -0.458 . . . . 70.31 111.096 179.94 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 24' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -64.49 -36.62 84.79 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.195 -0.457 . . . . 73.43 110.897 179.987 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 25' ' ' LEU . . . . . 0.421 HD23 ' HA ' ' B' ' 25' ' ' LEU . 11.2 mt -76.66 -38.75 54.01 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.179 -0.464 . . . . 70.3 110.871 179.947 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 26' ' ' LEU . . . . . . . . . . . . . 6.1 mt -50.38 -46.18 55.87 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.25 -0.432 . . . . 71.54 110.954 179.94 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 27' ' ' GLU . . . . . . . . . . . . . 37.3 mt-10 -89.39 -11.7 42.46 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 116.204 -0.453 . . . . 75.24 110.885 179.882 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 28' ' ' GLY . . . . . . . . . . . . . . . 67.31 29.93 74.83 Favored Glycine 0 N--CA 1.452 -0.268 0 C-N-CA 120.764 -0.731 . . . . 74.42 112.507 -179.924 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 29' ' ' GLY . . . . . . . . . . . . . . . 85.78 20.07 56.69 Favored Glycine 0 N--CA 1.451 -0.339 0 C-N-CA 120.749 -0.738 . . . . 32.5 112.541 -179.93 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 30' ' ' GLY . . . . . . . . . . . . . . . 134.37 112.64 1.29 Allowed Glycine 0 N--CA 1.45 -0.374 0 C-N-CA 120.779 -0.724 . . . . 73.41 112.461 -179.903 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 31' ' ' GLY . . . . . . . . . . . . . . . 143.22 -157.05 26.8 Favored Glycine 0 N--CA 1.451 -0.348 0 C-N-CA 120.679 -0.772 . . . . 70.32 112.427 -179.976 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 32' ' ' GLY . . . . . . . . . . . . . . . 91.39 166.18 40.17 Favored Glycine 0 N--CA 1.452 -0.271 0 C-N-CA 120.71 -0.757 . . . . 54.35 112.466 -179.924 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 33' ' ' GLY . . . . . . . . . . . . . . . -76.14 80.57 1.1 Allowed Glycine 0 N--CA 1.452 -0.295 0 C-N-CA 120.697 -0.763 . . . . 52.11 112.447 -179.87 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 34' ' ' GLY . . . . . . . . . . . . . . . 74.59 173.14 30.02 Favored Glycine 0 N--CA 1.45 -0.376 0 C-N-CA 120.755 -0.736 . . . . 54.0 112.444 -179.988 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 35' ' ' GLY . . . . . . . . . . . . . . . -100.58 -22.54 11.16 Favored Glycine 0 N--CA 1.452 -0.245 0 C-N-CA 120.719 -0.753 . . . . 54.44 112.462 -179.88 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 36' ' ' GLU . . . . . . . . . . . . . 2.9 tt0 -61.44 -41.73 97.65 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.85 0.357 . . . . 64.13 110.966 -179.941 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 37' ' ' LEU . . . . . . . . . . . . . 52.5 tp -58.41 -48.88 79.23 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.145 -0.48 . . . . 62.45 110.957 179.943 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 38' ' ' MET . . . . . . . . . . . . . 1.3 ttp -72.18 -28.2 63.06 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.108 -0.496 . . . . 72.43 110.912 179.854 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 39' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -54.96 -28.22 49.73 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.238 -0.437 . . . . 74.4 110.915 179.937 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 40' ' ' LEU . . . . . . . . . . . . . 16.9 mt -72.01 -33.45 68.07 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.243 -0.435 . . . . 70.2 110.942 179.874 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 41' ' ' CYS . . . . . . . . . . . . . 33.4 m -71.87 -39.35 69.71 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.181 -0.463 . . . . 53.11 110.883 179.902 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 42' ' ' GLU . . . . . . . . . . . . . 2.7 tt0 -61.27 -26.55 67.84 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.214 -0.448 . . . . 74.4 110.87 -179.84 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 43' ' ' GLU . . . . . . . . . . . . . 3.6 mm-40 -55.51 -26.21 41.59 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.232 -0.44 . . . . 74.5 110.901 -179.974 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 44' ' ' ALA . . . . . . . . . . . . . . . -52.53 -43.75 65.34 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.173 -0.467 . . . . 72.11 111.053 179.969 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 45' ' ' ALA . . . . . . . . . . . . . . . -75.0 -25.12 58.59 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.206 -0.452 . . . . 72.44 111.02 179.988 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 46' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -68.03 -46.14 72.02 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.237 -0.438 . . . . 72.35 110.899 -179.931 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 47' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -55.59 -54.22 46.76 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.152 -0.476 . . . . 75.51 110.907 179.899 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 48' ' ' ALA . . . . . . . . . . . . . . . -61.07 -31.6 71.26 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.21 -0.45 . . . . 74.43 111.133 179.763 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 49' ' ' GLU . . . . . . . . . . . . . 9.7 mt-10 -74.06 -30.17 62.26 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.189 -0.459 . . . . 73.11 110.89 -179.923 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 50' ' ' GLU . . . . . . . . . . . . . 18.0 tt0 -71.33 -50.87 28.04 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.147 -0.478 . . . . 70.45 110.859 -179.929 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 51' ' ' LEU . . . . . . . . . . . . . 2.5 pp -69.7 -29.32 66.7 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.197 -0.456 . . . . 74.32 110.887 -179.901 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 52' ' ' PHE . . . . . . . . . . . . . 83.8 t80 -56.47 -26.59 54.52 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.227 -0.442 . . . . 74.21 110.844 179.947 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 53' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -57.37 -57.65 11.71 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.106 -0.497 . . . . 62.2 110.9 179.961 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 54' ' ' LEU . . . . . . . . . . . . . 9.5 mt -73.71 -43.91 57.92 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.202 -0.454 . . . . 64.42 110.928 179.884 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 55' ' ' ALA . . . . . . . . . . . . . . . -57.51 -27.3 62.43 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.205 -0.452 . . . . 73.12 111.116 179.831 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 56' ' ' GLU . . . . . . . . . . . . . 1.7 tt0 -62.59 -32.67 73.7 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.2 -0.454 . . . . 75.15 110.916 -179.967 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 57' ' ' GLU . . . . . . . . . . . . . 30.3 tt0 -58.97 -54.13 50.55 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.086 -0.506 . . . . 72.22 110.957 -179.941 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 58' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -77.68 -28.99 51.26 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.105 -0.498 . . . . 64.24 110.842 -179.918 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 59' ' ' LEU . . . . . 0.477 HD22 ' N ' ' B' ' 9' ' ' ALA . 19.7 mt -67.19 -59.74 3.19 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.174 -0.466 . . . . 65.35 110.892 -179.885 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 60' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -122.91 -89.21 0.6 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.146 -0.479 . . . . 70.33 110.869 179.818 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 61' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 174.23 34.46 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.209 -0.45 . . . . 73.2 110.874 179.875 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 62' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 C--N 1.328 -0.347 0 CA-C-N 116.232 -0.44 . . . . 72.12 110.908 179.894 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 101' ' ' HLT . . . . . 0.51 'BR ' ' HB1' ' A' ' 44' ' ' ALA . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 C--O 1.232 0.149 0 CA-C-O 120.874 0.369 . . . . 72.12 110.865 . . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -96.99 -170.13 1.99 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.234 -0.439 . . . . 72.5 110.889 179.949 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 3' ' ' LYS . . . . . 0.612 ' O ' HD22 ' A' ' 4' ' ' LEU . 12.3 mttt -150.5 25.14 0.78 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.185 -0.461 . . . . 75.22 110.907 179.864 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 4' ' ' LEU . . . . . 0.612 HD22 ' O ' ' A' ' 3' ' ' LYS . 0.3 OUTLIER -146.26 -66.52 0.29 Allowed 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.172 -0.467 . . . . 64.51 110.911 179.936 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 15.9 mtt180 -71.96 -35.7 69.62 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.168 -0.469 . . . . 65.31 110.893 179.953 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -53.91 -26.62 26.1 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.2 -0.455 . . . . 73.1 110.865 -179.907 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 1.4 mm-40 -53.48 -38.0 63.24 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.176 -0.465 . . . . 75.25 110.794 -179.93 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -65.61 -26.79 67.99 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.209 -0.45 . . . . 74.21 111.209 179.869 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 9' ' ' ALA . . . . . 0.883 ' HB2' HD23 ' A' ' 59' ' ' LEU . . . -63.07 -43.95 97.16 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.153 -0.476 . . . . 70.31 111.105 179.887 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 9.2 mtpt -66.03 -32.82 74.51 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.244 -0.435 . . . . 71.4 110.947 179.961 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 61.7 mt -52.17 -45.12 64.97 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.202 -0.454 . . . . 63.21 110.869 179.908 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 23.4 m-85 -72.93 -23.81 60.73 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.203 -0.453 . . . . 54.44 110.88 179.953 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -57.95 -33.97 69.41 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.151 -0.477 . . . . 52.43 110.889 -179.946 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 7.0 mt-10 -75.22 -35.14 61.49 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.187 -0.461 . . . . 64.14 110.873 -179.908 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 15' ' ' TRP . . . . . 0.511 ' HZ2' ' HB3' ' B' ' 22' ' ' ALA . 28.7 m0 -53.97 -52.73 59.75 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.188 -0.46 . . . . 71.35 110.896 -179.935 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 6.6 tttt -67.87 -24.7 65.27 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.259 -0.428 . . . . 74.44 110.95 179.872 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -72.77 -52.52 14.71 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.204 -0.453 . . . . 74.14 110.888 179.829 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 18' ' ' LEU . . . . . 1.029 HD13 HD13 ' B' ' 18' ' ' LEU . 2.0 mt -55.73 -25.01 38.32 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.275 -0.421 . . . . 73.14 111.004 179.87 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -73.15 -28.83 62.46 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.123 -0.49 . . . . 70.1 111.115 179.772 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 1.9 mm-40 -73.03 -49.47 28.57 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.209 -0.451 . . . . 75.15 110.878 -179.884 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 6.7 pt-20 -58.44 -36.51 73.76 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.103 -0.499 . . . . 71.53 110.874 -179.909 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 22' ' ' ALA . . . . . 0.451 ' HB3' ' HZ2' ' B' ' 15' ' ' TRP . . . -75.46 -33.1 60.82 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.111 -0.495 . . . . 62.52 111.07 179.949 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -70.73 -51.99 23.75 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.262 -0.426 . . . . 73.45 111.088 179.904 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -61.08 -37.44 82.7 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.241 -0.436 . . . . 74.24 110.904 -179.99 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 25' ' ' LEU . . . . . 0.406 HD23 ' HA ' ' A' ' 25' ' ' LEU . 14.5 mt -76.82 -38.5 53.73 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 116.252 -0.431 . . . . 74.3 110.886 179.885 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 5.2 mt -50.09 -43.4 51.5 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.183 -0.462 . . . . 75.31 110.924 179.896 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 2.2 mt-10 -93.19 -12.17 30.95 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.171 -0.468 . . . . 63.5 110.893 179.937 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . 60.92 17.51 51.29 Favored Glycine 0 N--CA 1.452 -0.296 0 C-N-CA 120.708 -0.758 . . . . 71.04 112.472 179.987 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . 87.93 20.6 49.59 Favored Glycine 0 N--CA 1.45 -0.379 0 C-N-CA 120.778 -0.725 . . . . 54.33 112.508 -179.938 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . 139.1 80.45 0.07 OUTLIER Glycine 0 N--CA 1.451 -0.331 0 C-N-CA 120.679 -0.772 . . . . 72.13 112.47 -179.894 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . -159.96 156.79 28.03 Favored Glycine 0 N--CA 1.452 -0.291 0 C-N-CA 120.74 -0.743 . . . . 74.12 112.408 -179.902 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . 57.34 -118.37 12.3 Favored Glycine 0 C--N 1.331 0.264 0 C-N-CA 120.72 -0.752 . . . . 74.51 112.494 -179.92 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -158.41 -81.55 0.04 OUTLIER Glycine 0 N--CA 1.451 -0.306 0 C-N-CA 120.678 -0.772 . . . . 41.52 112.431 -179.899 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 121.67 -93.21 0.51 Allowed Glycine 0 N--CA 1.451 -0.316 0 C-N-CA 120.761 -0.733 . . . . 52.44 112.463 -179.916 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 54.99 -104.71 0.29 Allowed Glycine 0 N--CA 1.452 -0.275 0 C-N-CA 120.729 -0.748 . . . . 43.2 112.504 -179.899 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 67.5 tt0 -76.38 -26.19 55.35 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.869 0.366 . . . . 72.25 110.88 -179.872 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 18.0 tp -57.59 -58.03 10.11 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.165 -0.47 . . . . 75.01 110.92 179.982 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 38' ' ' MET . . . . . . . . . . . . . 35.1 ttm -63.72 -33.55 75.91 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.163 -0.472 . . . . 73.31 110.902 179.841 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 2.1 tttp -53.85 -35.06 61.08 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.204 -0.453 . . . . 70.42 110.873 179.943 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 61.7 mt -74.09 -36.21 64.26 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.179 -0.464 . . . . 63.11 110.908 179.922 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 41' ' ' CYS . . . . . . . . . . . . . 22.2 m -75.18 -28.25 59.97 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.204 -0.453 . . . . 62.04 110.912 179.923 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 2.6 mt-10 -61.61 -26.88 68.26 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.222 -0.445 . . . . 62.41 110.883 -179.893 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 3.0 mm-40 -55.66 -36.86 67.54 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.16 -0.473 . . . . 71.51 110.923 -179.936 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -51.87 -41.84 62.2 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.117 -0.492 . . . . 71.24 111.047 179.896 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -75.18 -22.76 57.82 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.241 -0.436 . . . . 74.42 111.092 179.984 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -74.3 -48.84 25.82 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.26 -0.427 . . . . 62.02 110.851 -179.993 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 1.3 mptp? -61.61 -53.7 52.82 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.201 -0.454 . . . . 74.44 110.897 179.87 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 48' ' ' ALA . . . . . 0.61 ' HA ' HD12 ' A' ' 51' ' ' LEU . . . -57.89 -35.58 71.2 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.28 -0.418 . . . . 64.4 111.089 179.845 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 2.6 tm-20 -71.5 -41.63 69.03 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.191 -0.459 . . . . 72.14 110.852 -179.902 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 34.8 tt0 -71.34 -27.65 63.52 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.229 -0.441 . . . . 72.43 110.856 -179.927 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 51' ' ' LEU . . . . . 0.61 HD12 ' HA ' ' A' ' 48' ' ' ALA . 9.9 mt -72.95 -48.79 33.77 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.177 -0.465 . . . . 63.42 110.926 -179.982 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 52' ' ' PHE . . . . . 0.456 ' HE2' ' HB1' ' A' ' 9' ' ' ALA . 46.5 t80 -62.31 -23.89 67.0 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.265 -0.425 . . . . 64.44 110.878 179.974 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -72.83 -58.71 3.14 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.143 -0.48 . . . . 64.22 110.926 179.881 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 54' ' ' LEU . . . . . . . . . . . . . 19.3 tp -67.47 -38.15 83.98 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.212 -0.449 . . . . 75.11 110.947 179.936 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -67.32 -33.84 76.1 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.171 -0.468 . . . . 55.23 111.124 179.799 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 33.5 tt0 -52.75 -29.12 25.4 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.245 -0.434 . . . . 72.31 110.927 -179.953 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 10.9 tt0 -61.94 -52.93 62.07 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.116 -0.493 . . . . 65.22 110.924 -179.979 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 58' ' ' ARG . . . . . 0.515 HH21 HD22 ' B' ' 37' ' ' LEU . 0.0 OUTLIER -77.78 -28.89 50.63 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.146 -0.479 . . . . 74.45 110.81 -179.895 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 59' ' ' LEU . . . . . 0.883 HD23 ' HB2' ' A' ' 9' ' ' ALA . 1.9 mp -70.64 -62.1 1.52 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.246 -0.434 . . . . 74.55 110.91 -179.901 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -122.77 -74.92 0.6 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.15 -0.477 . . . . 62.14 110.896 179.82 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -179.28 122.89 0.08 Allowed 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.194 -0.457 . . . . 75.52 110.964 179.878 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER . . . . . 0 C--N 1.328 -0.347 0 CA-C-N 116.264 -0.426 . . . . 71.31 110.934 179.941 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 1' ' ' MET . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 C--O 1.231 0.114 0 CA-C-O 120.815 0.34 . . . . 61.25 110.862 . . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 2' ' ' LYS . . . . . 0.532 ' HB2' HD11 ' B' ' 59' ' ' LEU . 0.3 OUTLIER -96.86 -169.97 1.97 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.169 -0.469 . . . . 71.15 110.934 179.898 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' B' B ' 3' ' ' LYS . . . . . 0.604 ' O ' HD22 ' B' ' 4' ' ' LEU . 12.2 mttt -150.92 24.66 0.75 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.262 -0.426 . . . . 75.14 110.853 179.893 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 4' ' ' LEU . . . . . 0.604 HD22 ' O ' ' B' ' 3' ' ' LYS . 0.3 OUTLIER -146.2 -66.34 0.29 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.245 -0.434 . . . . 63.14 110.927 179.858 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' B' B ' 5' ' ' ARG . . . . . . . . . . . . . 16.4 mtt180 -72.01 -40.68 68.33 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.185 -0.461 . . . . 74.45 110.895 179.908 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 6' ' ' GLU . . . . . 0.546 ' CA ' HD13 ' B' ' 59' ' ' LEU . 0.1 OUTLIER -54.48 -26.79 33.42 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.193 -0.458 . . . . 72.34 110.911 -179.969 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' B' B ' 7' ' ' GLU . . . . . . . . . . . . . 1.4 mm-40 -53.27 -39.62 64.04 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.083 -0.508 . . . . 72.13 110.902 -179.906 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 8' ' ' ALA . . . . . . . . . . . . . . . -63.68 -26.68 68.77 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.177 -0.465 . . . . 51.33 111.106 179.92 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 9' ' ' ALA . . . . . 0.507 ' HB2' ' HB1' ' B' ' 55' ' ' ALA . . . -69.26 -42.02 76.15 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.274 -0.421 . . . . 34.23 111.157 179.91 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 10' ' ' LYS . . . . . . . . . . . . . 9.8 mtpt -66.74 -28.01 68.07 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.166 -0.47 . . . . 71.45 110.889 179.937 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 11' ' ' LEU . . . . . . . . . . . . . 62.1 mt -51.81 -46.24 64.21 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.21 -0.45 . . . . 71.14 110.963 179.899 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 12' ' ' PHE . . . . . . . . . . . . . 24.0 m-85 -74.1 -26.51 60.4 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.119 -0.491 . . . . 65.52 110.884 179.963 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 13' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -59.08 -34.76 72.35 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.107 -0.497 . . . . 64.42 110.87 -179.943 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 14' ' ' GLU . . . . . . . . . . . . . 7.1 mt-10 -74.98 -34.38 61.98 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.177 -0.465 . . . . 71.02 110.914 -179.905 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 15' ' ' TRP . . . . . 0.451 ' HZ2' ' HB3' ' A' ' 22' ' ' ALA . 20.4 m0 -57.05 -52.22 66.16 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.089 -0.505 . . . . 73.32 110.935 -179.971 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 16' ' ' LYS . . . . . 0.613 ' HE2' ' HB1' ' B' ' 45' ' ' ALA . 6.7 tttt -68.26 -25.05 64.98 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.271 -0.422 . . . . 71.21 110.856 179.931 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 17' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -73.06 -55.62 6.25 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.244 -0.434 . . . . 64.2 110.917 179.791 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 18' ' ' LEU . . . . . 1.029 HD13 HD13 ' A' ' 18' ' ' LEU . 2.0 mt -55.99 -25.59 44.75 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.236 -0.438 . . . . 65.22 110.942 179.968 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 19' ' ' ALA . . . . . 0.659 ' HB2' 'CL ' ' A' ' 101' ' ' HLT . . . -73.19 -29.14 62.61 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.127 -0.488 . . . . 70.03 111.119 179.737 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 20' ' ' GLU . . . . . . . . . . . . . 1.9 mm-40 -72.99 -49.37 29.41 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.221 -0.445 . . . . 65.22 110.952 -179.958 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 21' ' ' GLU . . . . . . . . . . . . . 6.7 pt-20 -58.43 -36.6 73.86 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.2 -0.455 . . . . 74.4 110.88 -179.981 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 22' ' ' ALA . . . . . 0.511 ' HB3' ' HZ2' ' A' ' 15' ' ' TRP . . . -75.5 -33.28 60.75 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.124 -0.489 . . . . 62.54 111.09 179.937 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 23' ' ' ALA . . . . . . . . . . . . . . . -70.8 -51.95 23.63 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.213 -0.448 . . . . 65.14 111.057 179.982 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 24' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -60.89 -37.69 83.05 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.274 -0.421 . . . . 74.45 110.894 179.994 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 25' ' ' LEU . . . . . 0.421 HD23 ' HA ' ' B' ' 25' ' ' LEU . 14.7 mt -76.78 -38.55 53.84 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.223 -0.444 . . . . 61.03 110.938 179.92 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 26' ' ' LEU . . . . . . . . . . . . . 5.3 mt -50.14 -43.47 52.0 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.202 -0.454 . . . . 63.24 110.88 179.899 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 27' ' ' GLU . . . . . . . . . . . . . 2.1 mt-10 -95.23 -10.74 29.49 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.212 -0.449 . . . . 71.44 110.846 179.926 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 28' ' ' GLY . . . . . . . . . . . . . . . 62.15 18.21 57.26 Favored Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.786 -0.721 . . . . 71.44 112.494 -179.931 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 29' ' ' GLY . . . . . . . . . . . . . . . 89.02 18.59 53.7 Favored Glycine 0 N--CA 1.452 -0.274 0 C-N-CA 120.748 -0.739 . . . . 32.54 112.475 -179.907 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 30' ' ' GLY . . . . . . . . . . . . . . . 135.39 85.24 0.2 Allowed Glycine 0 N--CA 1.451 -0.338 0 C-N-CA 120.755 -0.736 . . . . 43.03 112.502 -179.914 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 31' ' ' GLY . . . . . . . . . . . . . . . -155.15 152.41 23.93 Favored Glycine 0 N--CA 1.451 -0.328 0 C-N-CA 120.765 -0.731 . . . . 74.04 112.477 -179.896 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 32' ' ' GLY . . . . . . . . . . . . . . . 52.41 -136.5 35.63 Favored Glycine 0 N--CA 1.452 -0.239 0 C-N-CA 120.714 -0.755 . . . . 62.13 112.411 -179.979 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 33' ' ' GLY . . . . . . . . . . . . . . . 179.64 -105.35 0.19 Allowed Glycine 0 N--CA 1.451 -0.349 0 C-N-CA 120.751 -0.738 . . . . 50.22 112.513 -179.888 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 34' ' ' GLY . . . . . . . . . . . . . . . 93.82 -46.84 2.28 Favored Glycine 0 N--CA 1.451 -0.344 0 C-N-CA 120.698 -0.763 . . . . 45.42 112.562 -179.904 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 35' ' ' GLY . . . . . . . . . . . . . . . 85.04 -85.34 1.57 Allowed Glycine 0 N--CA 1.451 -0.336 0 C-N-CA 120.712 -0.756 . . . . 44.41 112.5 -179.953 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 36' ' ' GLU . . . . . . . . . . . . . 62.3 tt0 -68.61 -23.32 64.44 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.852 0.358 . . . . 71.33 110.848 -179.877 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 37' ' ' LEU . . . . . 0.515 HD22 HH21 ' A' ' 58' ' ' ARG . 18.2 tp -51.47 -54.62 25.1 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.201 -0.454 . . . . 63.14 110.908 -179.984 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 38' ' ' MET . . . . . . . . . . . . . 35.0 ttm -62.01 -38.98 90.71 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.19 -0.459 . . . . 73.34 110.87 179.863 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 39' ' ' LYS . . . . . . . . . . . . . 2.2 tttp -54.12 -34.57 60.62 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.199 -0.455 . . . . 73.02 110.889 179.937 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 40' ' ' LEU . . . . . . . . . . . . . 69.4 mt -73.82 -34.98 64.8 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.211 -0.45 . . . . 74.31 110.959 179.862 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 41' ' ' CYS . . . . . 0.41 ' SG ' HD22 ' A' ' 51' ' ' LEU . 21.0 m -74.9 -29.68 61.07 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 116.253 -0.431 . . . . 61.22 110.901 179.921 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 42' ' ' GLU . . . . . . . . . . . . . 2.7 mt-10 -62.18 -26.04 68.12 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.161 -0.472 . . . . 74.01 110.9 -179.899 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 43' ' ' GLU . . . . . . . . . . . . . 3.1 mm-40 -54.89 -34.99 63.62 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.157 -0.474 . . . . 64.11 110.875 -179.939 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 44' ' ' ALA . . . . . 0.478 ' HB1' 'CL ' ' A' ' 101' ' ' HLT . . . -52.0 -41.49 62.24 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.17 -0.468 . . . . 73.23 111.089 -179.978 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 45' ' ' ALA . . . . . 0.613 ' HB1' ' HE2' ' B' ' 16' ' ' LYS . . . -75.19 -22.93 57.68 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.258 -0.428 . . . . 73.45 111.109 179.909 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 46' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -73.85 -48.96 27.38 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.21 -0.45 . . . . 74.32 110.943 179.982 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 47' ' ' LYS . . . . . . . . . . . . . 1.4 mptp? -63.79 -52.66 59.26 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.235 -0.439 . . . . 74.23 110.922 179.77 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 48' ' ' ALA . . . . . 0.727 ' HA ' HD12 ' B' ' 51' ' ' LEU . . . -56.04 -34.13 65.6 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.201 -0.454 . . . . 63.45 111.112 179.835 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 49' ' ' GLU . . . . . . . . . . . . . 2.6 tm-20 -70.58 -42.26 71.3 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.172 -0.467 . . . . 72.22 110.851 -179.867 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 50' ' ' GLU . . . . . . . . . . . . . 35.1 tt0 -72.65 -26.74 61.76 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.117 -0.492 . . . . 72.43 110.918 -179.942 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 51' ' ' LEU . . . . . 0.727 HD12 ' HA ' ' B' ' 48' ' ' ALA . 9.8 mt -72.12 -43.86 64.08 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.149 -0.478 . . . . 73.14 110.922 179.984 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 52' ' ' PHE . . . . . . . . . . . . . 44.8 t80 -57.06 -24.02 50.9 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.254 -0.43 . . . . 71.34 110.866 179.942 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 53' ' ' LYS . . . . . 0.659 ' HD3' HD21 ' B' ' 62' ' ' LEU . 0.1 OUTLIER -72.12 -46.63 55.87 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.236 -0.438 . . . . 75.32 110.902 179.956 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' B' B ' 54' ' ' LEU . . . . . 0.483 HD12 ' CD1' ' B' ' 62' ' ' LEU . 18.7 tp -55.23 -25.35 32.76 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.242 -0.436 . . . . 73.25 110.898 179.88 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 55' ' ' ALA . . . . . 0.507 ' HB1' ' HB2' ' B' ' 9' ' ' ALA . . . -54.18 -34.49 60.64 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.268 -0.424 . . . . 71.21 111.115 179.767 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 56' ' ' GLU . . . . . . . . . . . . . 34.0 tt0 -55.27 -28.18 51.6 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.166 -0.47 . . . . 70.32 110.844 -179.861 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 57' ' ' GLU . . . . . . . . . . . . . 11.1 tt0 -64.77 -47.05 79.57 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.173 -0.467 . . . . 61.43 110.876 -179.928 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 58' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -77.54 -31.47 53.32 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.092 -0.503 . . . . 72.44 110.846 -179.86 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 59' ' ' LEU . . . . . 0.546 HD13 ' CA ' ' B' ' 6' ' ' GLU . 19.8 tp -73.26 -62.53 1.44 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.179 -0.464 . . . . 72.41 110.874 -179.934 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 60' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -120.95 -77.29 0.58 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.172 -0.467 . . . . 63.25 110.905 179.847 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 61' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -179.51 123.26 0.08 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.231 -0.441 . . . . 73.21 110.919 179.872 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 62' ' ' LEU . . . . . 0.659 HD21 ' HD3' ' B' ' 53' ' ' LYS . 0.9 OUTLIER . . . . . 0 C--N 1.329 -0.293 0 CA-C-N 116.222 -0.444 . . . . 72.33 110.902 179.896 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 101' ' ' HLT . . . . . 0.659 'CL ' ' HB2' ' B' ' 19' ' ' ALA . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 2.8 mmt . . . . . 0 C--O 1.232 0.142 0 CA-C-O 120.81 0.338 . . . . 63.4 110.851 . . . . . . . . . 0 0 . 1 . 006 nuclear build full ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -101.01 143.72 30.81 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.287 -0.415 . . . . 74.4 110.886 179.936 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 3' ' ' LYS . . . . . 0.681 ' C ' HD22 ' A' ' 4' ' ' LEU . 4.3 mtmp? -153.46 -55.58 0.11 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.215 -0.448 . . . . 64.14 110.93 179.879 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 4' ' ' LEU . . . . . 0.681 HD22 ' C ' ' A' ' 3' ' ' LYS . 3.1 mm? -133.71 12.87 4.06 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.266 -0.424 . . . . 70.44 110.957 179.845 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 2.6 mtp180 -72.34 -47.8 46.82 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.218 -0.447 . . . . 74.41 110.829 -179.958 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 12.5 pt-20 -53.84 -31.17 48.41 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.185 -0.461 . . . . 65.03 110.861 -179.927 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 12.1 mm-40 -53.76 -36.94 62.9 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.146 -0.479 . . . . 75.34 110.945 -179.946 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -65.97 -26.77 67.71 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.069 -0.514 . . . . 73.13 111.086 179.959 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 9' ' ' ALA . . . . . 0.696 ' HB1' ' CE2' ' A' ' 52' ' ' PHE . . . -74.15 -28.98 61.57 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.195 -0.457 . . . . 63.42 111.077 179.902 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -75.95 -32.78 59.68 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.284 -0.416 . . . . 74.02 110.885 179.998 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 11' ' ' LEU . . . . . 0.463 HD12 HD21 ' B' ' 26' ' ' LEU . 47.6 mt -51.64 -49.15 62.84 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.23 -0.441 . . . . 63.45 110.97 179.883 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 21.6 m-85 -74.27 -22.02 59.49 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.14 -0.482 . . . . 73.24 110.879 179.936 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 19.5 tt0 -59.5 -37.34 78.03 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.181 -0.463 . . . . 74.41 110.884 -179.969 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 9.4 mt-10 -75.0 -34.1 61.9 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.16 -0.473 . . . . 64.42 110.921 -179.921 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 15' ' ' TRP . . . . . . . . . . . . . 19.8 m0 -53.82 -51.77 62.48 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.139 -0.482 . . . . 61.21 110.926 179.975 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -71.84 -30.57 65.61 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.223 -0.444 . . . . 72.54 110.891 179.971 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 1.8 tttm -64.72 -51.21 63.59 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.219 -0.446 . . . . 72.52 110.961 179.852 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 18' ' ' LEU . . . . . 1.104 HD13 HD13 ' B' ' 18' ' ' LEU . 3.2 mt -56.16 -24.98 44.73 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.187 -0.46 . . . . 72.22 110.951 179.828 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -73.35 -29.42 62.65 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.182 -0.463 . . . . 53.42 111.112 179.802 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 32.7 mt-10 -73.2 -50.02 24.76 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.176 -0.465 . . . . 72.05 110.881 -179.92 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 11.2 pt-20 -56.56 -46.51 80.68 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.163 -0.472 . . . . 74.14 110.847 -179.938 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -64.19 -33.0 74.8 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.158 -0.474 . . . . 62.12 111.136 179.956 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -70.85 -49.75 42.8 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.207 -0.452 . . . . 71.12 111.067 179.946 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 9.4 ptpt -64.51 -36.66 84.91 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.225 -0.443 . . . . 75.23 110.868 179.973 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 11.3 mt -76.76 -38.62 53.81 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.221 -0.445 . . . . 72.54 110.903 179.991 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 26' ' ' LEU . . . . . 0.456 HD21 HD12 ' B' ' 11' ' ' LEU . 2.8 mt -50.23 -46.24 54.6 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.252 -0.431 . . . . 54.2 110.961 179.786 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 24.0 tp10 -88.93 -12.0 42.88 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.19 -0.459 . . . . 73.34 110.835 179.946 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . 66.12 20.9 69.48 Favored Glycine 0 N--CA 1.453 -0.197 0 C-N-CA 120.669 -0.777 . . . . 70.01 112.477 -179.961 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . -136.14 -54.66 0.06 OUTLIER Glycine 0 N--CA 1.45 -0.37 0 C-N-CA 120.795 -0.717 . . . . 75.52 112.509 -179.909 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . 134.42 98.33 0.6 Allowed Glycine 0 N--CA 1.45 -0.382 0 C-N-CA 120.828 -0.701 . . . . 35.04 112.512 -179.93 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . 128.85 -24.63 4.81 Favored Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 120.718 -0.753 . . . . 63.22 112.536 -179.807 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . 98.94 -179.0 31.14 Favored Glycine 0 N--CA 1.451 -0.31 0 C-N-CA 120.734 -0.746 . . . . 73.51 112.481 -179.856 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -69.58 -23.63 76.56 Favored Glycine 0 N--CA 1.451 -0.355 0 C-N-CA 120.804 -0.712 . . . . 51.01 112.428 -179.891 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 72.95 77.97 0.56 Allowed Glycine 0 N--CA 1.45 -0.385 0 C-N-CA 120.73 -0.748 . . . . 50.34 112.508 -179.865 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . -179.99 -155.87 16.51 Favored Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.75 -0.738 . . . . 64.41 112.516 -179.87 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 7.8 mt-10 -66.87 -53.11 35.58 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.905 0.384 . . . . 72.23 110.929 -179.897 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -52.48 -54.62 30.04 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.144 -0.48 . . . . 75.3 110.906 -179.995 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 38' ' ' MET . . . . . . . . . . . . . 0.8 OUTLIER -59.19 -31.58 69.15 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.186 -0.461 . . . . 62.33 110.878 179.846 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -54.04 -29.66 44.72 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.192 -0.458 . . . . 75.12 110.908 -179.981 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 40' ' ' LEU . . . . . 0.799 ' HB3' HD22 ' B' ' 51' ' ' LEU . 43.8 mt -71.44 -33.76 69.66 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.149 -0.478 . . . . 74.05 110.95 179.927 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 41' ' ' CYS . . . . . . . . . . . . . 25.9 m -74.82 -31.52 61.71 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.13 -0.486 . . . . 53.31 110.879 179.91 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 37.2 tt0 -71.28 -26.13 62.75 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.22 -0.445 . . . . 62.52 110.881 -179.87 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 3.3 mm-40 -55.08 -31.23 61.01 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.142 -0.481 . . . . 70.42 110.933 -179.946 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 44' ' ' ALA . . . . . 0.567 ' HB1' 'CL ' ' A' ' 101' ' ' HLT . . . -51.81 -42.52 62.55 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.125 -0.489 . . . . 74.45 111.107 179.912 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -75.19 -23.02 57.61 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.214 -0.448 . . . . 54.14 111.095 179.931 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -72.82 -47.9 42.43 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.234 -0.439 . . . . 75.43 110.874 179.962 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -74.13 -48.37 29.86 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.247 -0.433 . . . . 45.04 110.855 179.955 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -52.23 -49.33 64.21 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.251 -0.431 . . . . 53.53 111.037 179.847 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 53.1 tp10 -54.68 -32.93 60.1 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.208 -0.451 . . . . 53.31 110.866 -179.929 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -70.31 -26.5 63.81 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.13 -0.486 . . . . 71.34 110.879 -179.909 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 12.2 mt -71.58 -46.89 58.05 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.187 -0.46 . . . . 74.12 110.922 179.972 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 52' ' ' PHE . . . . . 0.696 ' CE2' ' HB1' ' A' ' 9' ' ' ALA . 52.0 t80 -57.0 -23.97 50.16 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.17 -0.468 . . . . 72.42 110.84 179.964 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -51.92 -52.26 51.28 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.254 -0.43 . . . . 64.23 110.907 -179.99 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 54' ' ' LEU . . . . . 0.609 HD12 HH22 ' A' ' 58' ' ' ARG . 4.3 mm? -60.52 -36.73 79.08 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.187 -0.461 . . . . 73.12 110.892 179.926 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 55' ' ' ALA . . . . . 0.614 ' HB1' ' HB2' ' A' ' 9' ' ' ALA . . . -56.07 -27.73 54.72 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.222 -0.445 . . . . 60.12 111.086 179.811 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 51.7 tt0 -77.25 -24.46 51.13 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.232 -0.44 . . . . 54.42 110.83 -179.895 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 11.7 tp10 -68.87 -48.78 62.55 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.191 -0.459 . . . . 74.54 110.913 -179.966 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 58' ' ' ARG . . . . . 0.609 HH22 HD12 ' A' ' 54' ' ' LEU . 0.0 OUTLIER -78.0 -30.39 50.05 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.166 -0.47 . . . . 72.2 110.938 -179.971 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 59' ' ' LEU . . . . . . . . . . . . . 15.9 tp -73.65 -62.39 1.5 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.109 -0.496 . . . . 74.0 110.945 -179.976 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -123.13 -175.55 3.21 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.133 -0.485 . . . . 72.33 110.876 179.822 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 5.3 tttt -83.49 78.55 9.64 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.187 -0.461 . . . . 73.43 110.953 179.835 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 5.1 tt . . . . . 0 C--N 1.329 -0.319 0 CA-C-N 116.199 -0.455 . . . . 70.2 110.899 179.938 . . . . . . . . 0 0 . 1 . 006 nuclear build full ' B' B ' 1' ' ' MET . . . . . . . . . . . . . 2.7 mmt . . . . . 0 C--O 1.232 0.176 0 CA-C-O 120.815 0.34 . . . . 70.43 110.847 . . . . . . . . . 0 0 . 1 . 006 nuclear build full ' B' B ' 2' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -100.53 143.24 30.94 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.251 -0.431 . . . . 75.33 110.904 179.946 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 3' ' ' LYS . . . . . 0.697 ' C ' HD22 ' B' ' 4' ' ' LEU . 4.3 mtmp? -152.46 -56.41 0.13 Allowed 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.253 -0.431 . . . . 61.34 110.871 179.907 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 4' ' ' LEU . . . . . 0.697 HD22 ' C ' ' B' ' 3' ' ' LYS . 3.1 mm? -133.85 12.3 4.0 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.249 -0.432 . . . . 74.34 110.898 179.972 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 5' ' ' ARG . . . . . . . . . . . . . 2.3 mtp180 -72.32 -48.04 45.19 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.202 -0.454 . . . . 62.25 110.868 179.975 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 6' ' ' GLU . . . . . . . . . . . . . 14.4 pt-20 -52.88 -28.95 25.46 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.235 -0.439 . . . . 75.14 110.943 -179.964 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 7' ' ' GLU . . . . . . . . . . . . . 12.1 mm-40 -54.24 -32.83 56.98 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.113 -0.494 . . . . 73.44 110.914 -179.957 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 8' ' ' ALA . . . . . . . . . . . . . . . -70.35 -26.72 63.87 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.139 -0.482 . . . . 73.24 111.14 179.881 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 9' ' ' ALA . . . . . 0.796 ' HB2' HD23 ' B' ' 59' ' ' LEU . . . -69.2 -31.02 69.33 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.198 -0.455 . . . . 72.3 111.121 179.916 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 10' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -75.48 -33.9 60.85 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.204 -0.453 . . . . 73.23 110.843 -179.974 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 11' ' ' LEU . . . . . 0.456 HD12 HD21 ' A' ' 26' ' ' LEU . 45.4 mt -52.05 -46.78 65.21 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.27 -0.423 . . . . 72.01 110.863 179.92 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 12' ' ' PHE . . . . . . . . . . . . . 20.6 m-85 -72.9 -21.95 60.82 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.213 -0.449 . . . . 64.3 110.896 179.95 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 13' ' ' GLU . . . . . . . . . . . . . 19.4 tt0 -58.97 -36.75 75.38 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.111 -0.495 . . . . 62.33 110.877 -179.906 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 14' ' ' GLU . . . . . . . . . . . . . 9.1 mt-10 -75.1 -34.24 61.7 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.169 -0.469 . . . . 75.31 110.914 -179.956 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 15' ' ' TRP . . . . . 0.515 ' CZ3' ' HB2' ' A' ' 44' ' ' ALA . 22.6 m0 -54.01 -50.44 66.62 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.115 -0.493 . . . . 73.35 110.928 -179.942 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 16' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -71.43 -30.9 66.6 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.216 -0.447 . . . . 72.05 110.887 179.946 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 17' ' ' LYS . . . . . . . . . . . . . 1.8 tttm -65.5 -50.92 63.51 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.218 -0.446 . . . . 73.11 110.886 179.883 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 18' ' ' LEU . . . . . 1.104 HD13 HD13 ' A' ' 18' ' ' LEU . 3.1 mt -56.07 -24.99 43.34 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.244 -0.435 . . . . 73.43 110.919 179.884 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 19' ' ' ALA . . . . . . . . . . . . . . . -73.46 -29.42 62.53 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.174 -0.467 . . . . 74.31 111.146 179.763 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 20' ' ' GLU . . . . . . . . . . . . . 32.5 mt-10 -73.2 -49.93 25.28 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.184 -0.462 . . . . 72.21 110.871 -179.907 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 21' ' ' GLU . . . . . . . . . . . . . 11.2 pt-20 -56.67 -46.3 81.2 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.18 -0.464 . . . . 71.15 110.889 -179.903 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 22' ' ' ALA . . . . . . . . . . . . . . . -64.35 -33.02 74.89 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.223 -0.444 . . . . 54.14 111.077 179.923 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 23' ' ' ALA . . . . . . . . . . . . . . . -70.91 -49.55 44.55 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.18 -0.464 . . . . 61.13 111.082 179.964 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 24' ' ' LYS . . . . . . . . . . . . . 9.3 ptpt -64.61 -36.7 85.09 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.236 -0.438 . . . . 64.35 110.911 179.97 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 25' ' ' LEU . . . . . . . . . . . . . 11.4 mt -76.66 -38.67 54.17 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.193 -0.458 . . . . 73.21 110.894 179.91 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 26' ' ' LEU . . . . . 0.463 HD21 HD12 ' A' ' 11' ' ' LEU . 2.8 mt -50.35 -46.02 55.52 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.25 -0.432 . . . . 72.04 110.93 179.928 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 27' ' ' GLU . . . . . . . . . . . . . 24.1 tp10 -89.18 -12.11 41.86 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.189 -0.46 . . . . 73.24 110.866 179.926 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 28' ' ' GLY . . . . . . . . . . . . . . . 66.15 21.92 70.37 Favored Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.784 -0.722 . . . . 62.34 112.408 179.973 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 29' ' ' GLY . . . . . . . . . . . . . . . -135.76 -54.14 0.06 OUTLIER Glycine 0 N--CA 1.451 -0.33 0 C-N-CA 120.722 -0.752 . . . . 33.34 112.542 -179.963 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 30' ' ' GLY . . . . . . . . . . . . . . . 134.99 98.21 0.57 Allowed Glycine 0 N--CA 1.451 -0.309 0 C-N-CA 120.706 -0.759 . . . . 61.21 112.488 -179.948 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 31' ' ' GLY . . . . . . . . . . . . . . . 128.54 -24.01 5.0 Favored Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.758 -0.734 . . . . 42.13 112.472 -179.915 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 32' ' ' GLY . . . . . . . . . . . . . . . 99.42 -179.57 30.74 Favored Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.766 -0.731 . . . . 73.41 112.422 -179.964 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 33' ' ' GLY . . . . . . . . . . . . . . . -69.67 -23.17 76.85 Favored Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 120.661 -0.78 . . . . 53.11 112.49 -179.921 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 34' ' ' GLY . . . . . . . . . . . . . . . 72.63 77.46 0.57 Allowed Glycine 0 N--CA 1.451 -0.35 0 C-N-CA 120.787 -0.721 . . . . 70.13 112.466 -179.92 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 35' ' ' GLY . . . . . . . . . . . . . . . 179.6 -154.51 13.85 Favored Glycine 0 N--CA 1.452 -0.299 0 C-N-CA 120.668 -0.777 . . . . 53.51 112.471 -179.908 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 36' ' ' GLU . . . . . . . . . . . . . 7.5 mt-10 -66.14 -51.66 55.77 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.875 0.369 . . . . 74.33 110.849 -179.824 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 37' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -51.82 -55.2 21.33 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.113 -0.494 . . . . 54.15 110.906 -179.931 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 38' ' ' MET . . . . . . . . . . . . . 0.8 OUTLIER -59.75 -32.1 70.26 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.147 -0.479 . . . . 72.1 110.867 179.818 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 39' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -54.61 -29.44 51.78 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.194 -0.457 . . . . 72.43 110.895 -179.988 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 40' ' ' LEU . . . . . . . . . . . . . 45.8 mt -70.66 -34.17 71.74 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.234 -0.439 . . . . 73.35 110.904 179.865 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 41' ' ' CYS . . . . . . . . . . . . . 26.1 m -75.07 -33.54 61.69 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.205 -0.452 . . . . 51.15 110.909 179.965 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 42' ' ' GLU . . . . . . . . . . . . . 37.5 tt0 -73.05 -25.92 61.1 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 116.113 -0.494 . . . . 72.53 110.858 -179.878 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 43' ' ' GLU . . . . . . . . . . . . . 3.3 mm-40 -55.04 -31.65 61.27 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.219 -0.446 . . . . 75.51 110.91 -179.908 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 44' ' ' ALA . . . . . . . . . . . . . . . -51.89 -42.72 62.93 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.148 -0.478 . . . . 52.31 111.124 179.895 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 45' ' ' ALA . . . . . . . . . . . . . . . -75.1 -22.9 57.94 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.247 -0.433 . . . . 41.01 111.128 179.911 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 46' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -71.55 -47.49 54.71 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.212 -0.449 . . . . 64.51 110.858 -179.995 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 47' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -73.49 -50.55 20.94 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.268 -0.424 . . . . 72.22 110.95 179.851 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 48' ' ' ALA . . . . . . . . . . . . . . . -53.09 -48.93 67.38 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.223 -0.444 . . . . 71.53 111.052 179.822 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 49' ' ' GLU . . . . . . . . . . . . . 53.2 tp10 -54.41 -32.37 57.12 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.241 -0.436 . . . . 73.35 110.893 -179.89 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 50' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -69.88 -28.96 66.07 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.112 -0.494 . . . . 72.3 110.855 -179.93 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 51' ' ' LEU . . . . . 0.799 HD22 ' HB3' ' A' ' 40' ' ' LEU . 11.8 mt -73.08 -50.95 19.99 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.131 -0.486 . . . . 71.01 110.916 -179.931 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 52' ' ' PHE . . . . . 0.585 ' HE2' ' HB1' ' B' ' 9' ' ' ALA . 53.7 t80 -60.36 -23.91 64.66 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.192 -0.458 . . . . 63.11 110.877 179.92 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 53' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -54.28 -59.22 4.96 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.155 -0.475 . . . . 63.24 110.854 -179.971 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 54' ' ' LEU . . . . . 0.563 HD12 HH22 ' B' ' 58' ' ' ARG . 4.5 mm? -75.05 -42.51 56.9 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.219 -0.446 . . . . 60.14 110.887 179.999 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 55' ' ' ALA . . . . . 0.408 ' HA ' ' HD2' ' B' ' 58' ' ' ARG . . . -55.69 -29.28 59.12 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.292 -0.413 . . . . 74.05 111.076 179.771 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 56' ' ' GLU . . . . . . . . . . . . . 52.4 tt0 -77.24 -24.45 51.18 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.229 -0.441 . . . . 70.02 110.874 -179.931 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 57' ' ' GLU . . . . . . . . . . . . . 11.4 tp10 -64.63 -48.45 74.8 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.164 -0.471 . . . . 52.23 110.893 -179.96 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 58' ' ' ARG . . . . . 0.563 HH22 HD12 ' B' ' 54' ' ' LEU . 0.0 OUTLIER -77.79 -31.11 51.67 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.195 -0.457 . . . . 73.13 110.891 -179.929 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' B' B ' 59' ' ' LEU . . . . . 0.796 HD23 ' HB2' ' B' ' 9' ' ' ALA . 3.8 mp -71.77 -59.05 2.95 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.14 -0.482 . . . . 74.44 110.873 -179.993 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 60' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -127.73 -178.98 4.7 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.267 -0.424 . . . . 73.35 110.934 179.833 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 61' ' ' LYS . . . . . . . . . . . . . 5.4 tttt -85.85 79.28 9.31 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.26 -0.427 . . . . 70.04 110.941 179.865 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 62' ' ' LEU . . . . . . . . . . . . . 4.8 tt . . . . . 0 C--N 1.328 -0.331 0 CA-C-N 116.185 -0.461 . . . . 75.23 110.877 179.981 . . . . . . . . 0 0 . 1 . 006 nuclear build full ' A' A ' 101' ' ' HLT . . . . . 0.567 'CL ' ' HB1' ' A' ' 44' ' ' ALA . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.231 0.13 0 CA-C-O 120.822 0.344 . . . . 71.53 110.884 . . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 63.15 162.26 0.1 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.257 -0.428 . . . . 61.3 110.898 179.94 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 15.0 ttpt -141.51 -42.54 0.36 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.268 -0.424 . . . . 73.35 110.945 179.844 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 3.8 mm? -70.99 -33.83 70.79 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.222 -0.444 . . . . 74.14 110.966 179.883 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 5.4 mtt-85 -72.02 -40.54 68.39 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 116.18 -0.464 . . . . 65.54 110.903 179.94 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 6' ' ' GLU . . . . . 0.816 ' HA ' HD22 ' A' ' 59' ' ' LEU . 4.9 tt0 -52.99 -27.59 19.9 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.164 -0.471 . . . . 72.13 110.861 -179.969 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 67.0 mt-10 -55.19 -28.39 52.63 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.184 -0.462 . . . . 71.0 110.878 -179.909 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 8' ' ' ALA . . . . . 0.518 ' HA ' HD21 ' A' ' 11' ' ' LEU . . . -76.12 -26.53 56.46 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.199 -0.455 . . . . 74.24 111.085 179.918 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 9' ' ' ALA . . . . . 0.834 ' HB2' HD13 ' A' ' 59' ' ' LEU . . . -75.97 -26.95 57.28 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.265 -0.425 . . . . 55.05 111.106 179.888 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 19.3 mtpt -68.73 -54.57 15.29 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.217 -0.447 . . . . 54.21 110.871 -179.987 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 11' ' ' LEU . . . . . 0.562 HD12 ' N ' ' A' ' 12' ' ' PHE . 1.6 pp -57.31 -44.75 84.41 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.235 -0.438 . . . . 74.25 110.899 179.94 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 12' ' ' PHE . . . . . 0.562 ' N ' HD12 ' A' ' 11' ' ' LEU . 9.1 m-85 -65.57 -20.19 66.23 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.251 -0.432 . . . . 73.12 110.915 179.922 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -65.16 -38.99 92.31 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.141 -0.481 . . . . 74.1 110.909 -179.93 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 4.3 mt-10 -75.47 -28.83 59.41 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.178 -0.465 . . . . 72.23 110.823 -179.885 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 15' ' ' TRP . . . . . . . . . . . . . 1.0 OUTLIER -63.0 -47.3 83.7 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.136 -0.484 . . . . 71.11 110.93 -179.975 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 16' ' ' LYS . . . . . 0.416 ' HB2' ' HB1' ' A' ' 48' ' ' ALA . 2.8 ttpt -77.24 -25.13 51.24 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.246 -0.434 . . . . 54.12 110.931 179.888 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 1.7 mmmt -73.13 -53.93 9.78 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.189 -0.46 . . . . 75.11 110.892 179.852 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 18' ' ' LEU . . . . . 0.538 HD12 'CL ' ' A' ' 101' ' ' HLT . 77.2 mt -54.77 -32.75 60.42 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.154 -0.475 . . . . 61.13 110.932 179.926 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 19' ' ' ALA . . . . . 0.431 ' O ' ' HB2' ' A' ' 23' ' ' ALA . . . -68.56 -26.34 65.36 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.192 -0.458 . . . . 54.02 111.072 179.804 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 1.7 mt-10 -73.3 -49.28 28.4 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.255 -0.429 . . . . 63.43 110.871 -179.889 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 3.3 mm-40 -73.2 -50.14 24.14 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.215 -0.448 . . . . 74.22 110.889 -179.973 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -56.64 -22.6 35.4 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.146 -0.479 . . . . 73.4 111.136 179.936 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 23' ' ' ALA . . . . . 0.431 ' HB2' ' O ' ' A' ' 19' ' ' ALA . . . -76.06 -54.75 6.37 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.175 -0.466 . . . . 54.35 111.083 179.949 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -66.27 -30.14 70.51 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.269 -0.423 . . . . 64.33 110.912 179.933 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 25' ' ' LEU . . . . . 0.42 HD23 ' HA ' ' A' ' 25' ' ' LEU . 5.4 mt -77.64 -42.21 35.63 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.245 -0.434 . . . . 74.32 110.907 179.894 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 26' ' ' LEU . . . . . 0.446 HD11 ' CZ ' ' B' ' 12' ' ' PHE . 4.8 mt -50.5 -49.76 54.67 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.153 -0.476 . . . . 74.15 110.88 179.949 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 18.4 mt-10 -90.69 12.15 19.99 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.188 -0.46 . . . . 62.53 110.913 179.934 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . -59.58 -14.32 27.9 Favored Glycine 0 N--CA 1.45 -0.375 0 C-N-CA 120.686 -0.769 . . . . 55.12 112.545 -179.992 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . 136.1 47.35 0.08 OUTLIER Glycine 0 N--CA 1.451 -0.357 0 C-N-CA 120.697 -0.763 . . . . 54.24 112.471 -179.909 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . 152.13 86.25 0.05 OUTLIER Glycine 0 N--CA 1.451 -0.337 0 C-N-CA 120.708 -0.758 . . . . 53.15 112.441 -179.936 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . 145.13 40.55 0.05 OUTLIER Glycine 0 N--CA 1.452 -0.279 0 C-N-CA 120.724 -0.751 . . . . 71.42 112.458 -179.954 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . -161.91 174.2 38.35 Favored Glycine 0 N--CA 1.451 -0.342 0 C-N-CA 120.772 -0.728 . . . . 54.1 112.487 -179.953 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -161.14 50.38 0.35 Allowed Glycine 0 N--CA 1.451 -0.323 0 C-N-CA 120.733 -0.746 . . . . 55.44 112.558 -179.924 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 132.19 -135.16 7.99 Favored Glycine 0 N--CA 1.451 -0.34 0 C-N-CA 120.754 -0.736 . . . . 44.04 112.496 -179.89 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . -130.13 -63.82 0.1 Allowed Glycine 0 N--CA 1.451 -0.34 0 C-N-CA 120.7 -0.762 . . . . 60.14 112.481 -179.852 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 23.6 tt0 -52.0 -35.04 45.35 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-O 120.915 0.388 . . . . 62.4 110.939 -179.919 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 37' ' ' LEU . . . . . 0.523 HD21 HH22 ' B' ' 58' ' ' ARG . 7.1 tp -57.0 -47.67 80.3 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.142 -0.481 . . . . 64.32 110.902 179.978 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 38' ' ' MET . . . . . . . . . . . . . 0.1 OUTLIER -70.54 -27.22 63.99 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.207 -0.451 . . . . 64.33 110.924 179.852 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -53.81 -27.87 31.87 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.2 -0.455 . . . . 60.24 110.922 179.898 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 40' ' ' LEU . . . . . 0.723 HD13 ' CB ' ' B' ' 51' ' ' LEU . 2.1 mt -54.89 -61.0 2.6 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.202 -0.454 . . . . 71.23 110.919 179.941 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 41' ' ' CYS . . . . . . . . . . . . . 20.2 p -68.01 -27.01 66.19 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.218 -0.446 . . . . 73.44 110.857 179.948 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 29.4 tt0 -58.51 -25.25 62.2 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.17 -0.468 . . . . 75.33 110.882 -179.856 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 1.4 mm-40 -54.68 -27.7 42.1 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.104 -0.498 . . . . 63.3 110.903 -179.929 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -51.82 -46.31 64.24 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.187 -0.46 . . . . 73.4 111.123 179.932 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -72.82 -22.82 60.75 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.246 -0.434 . . . . 74.53 111.01 179.945 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -77.07 -53.11 8.2 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.223 -0.444 . . . . 74.43 110.925 179.969 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -68.04 -51.13 50.32 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.235 -0.439 . . . . 71.12 110.878 179.89 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 48' ' ' ALA . . . . . 0.416 ' HB1' ' HB2' ' A' ' 16' ' ' LYS . . . -51.82 -44.58 63.58 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.325 -0.398 . . . . 62.14 111.148 179.797 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 41.5 tt0 -77.23 -30.89 54.77 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.186 -0.461 . . . . 64.21 110.869 -179.906 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 1.3 mm-40 -65.94 -51.34 59.36 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.177 -0.465 . . . . 71.11 110.861 -179.976 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 51' ' ' LEU . . . . . 0.768 HD22 ' HB3' ' B' ' 41' ' ' CYS . 3.6 pp -70.0 -40.42 75.29 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.154 -0.476 . . . . 70.21 110.96 -179.918 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 52' ' ' PHE . . . . . . . . . . . . . 34.8 t80 -69.54 -23.82 63.63 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.147 -0.479 . . . . 74.32 110.922 179.846 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -64.68 -59.0 4.77 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.146 -0.479 . . . . 74.13 110.947 179.944 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 54' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -75.23 -23.59 57.58 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.12 -0.491 . . . . 74.24 110.931 179.936 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 55' ' ' ALA . . . . . 0.423 ' HB2' ' O ' ' A' ' 51' ' ' LEU . . . -56.18 -37.03 69.04 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.133 -0.485 . . . . 62.53 111.107 179.818 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 13.9 mt-10 -53.01 -32.84 48.8 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.223 -0.444 . . . . 74.23 110.876 -179.922 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 2.0 tm-20 -60.32 -50.99 71.42 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.094 -0.503 . . . . 74.44 110.898 -179.938 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 58' ' ' ARG . . . . . 0.448 HH22 HD21 ' B' ' 37' ' ' LEU . 0.1 OUTLIER -78.22 -22.3 48.72 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.145 -0.48 . . . . 73.45 110.886 -179.943 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 59' ' ' LEU . . . . . 0.834 HD13 ' HB2' ' A' ' 9' ' ' ALA . 39.2 mt -82.98 -76.72 0.26 Allowed 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.151 -0.477 . . . . 71.41 110.89 -179.903 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -102.36 -175.68 2.89 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.23 -0.441 . . . . 51.41 110.896 179.787 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -101.83 -26.99 13.26 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.221 -0.445 . . . . 65.24 110.835 179.92 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 1.7 mt . . . . . 0 C--N 1.328 -0.356 0 CA-C-N 116.226 -0.443 . . . . 74.13 110.906 179.896 . . . . . . . . 0 0 . 1 . 007 nuclear build full ' B' B ' 1' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.458 -0.074 0 CA-C-O 120.873 0.368 . . . . 63.02 110.914 . . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 2' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 63.09 162.21 0.1 Allowed 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.161 -0.472 . . . . 72.42 110.883 179.929 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 3' ' ' LYS . . . . . . . . . . . . . 15.0 ttpt -141.67 -42.35 0.36 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.232 -0.44 . . . . 70.42 110.837 179.871 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 4' ' ' LEU . . . . . . . . . . . . . 3.8 mm? -71.27 -33.05 69.42 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.211 -0.449 . . . . 72.14 110.944 179.907 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 5' ' ' ARG . . . . . . . . . . . . . 5.3 mtt-85 -71.88 -40.69 68.74 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.236 -0.438 . . . . 70.34 110.888 179.906 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 6' ' ' GLU . . . . . 0.802 ' HA ' HD22 ' B' ' 59' ' ' LEU . 4.9 tt0 -53.43 -26.71 21.14 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.19 -0.459 . . . . 71.32 110.904 -179.948 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 7' ' ' GLU . . . . . . . . . . . . . 67.1 mt-10 -55.02 -28.15 49.89 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.168 -0.469 . . . . 75.33 110.913 -179.918 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 8' ' ' ALA . . . . . 0.499 ' HA ' HD21 ' B' ' 11' ' ' LEU . . . -75.76 -26.62 57.55 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.142 -0.481 . . . . 55.33 111.143 179.897 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 9' ' ' ALA . . . . . 0.623 ' HB2' HD13 ' B' ' 59' ' ' LEU . . . -77.22 -26.02 52.27 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.196 -0.456 . . . . 62.11 111.125 179.922 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 10' ' ' LYS . . . . . . . . . . . . . 19.5 mtpt -68.06 -54.09 20.85 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.224 -0.444 . . . . 62.15 110.893 179.952 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 11' ' ' LEU . . . . . 0.569 HD12 ' N ' ' B' ' 12' ' ' PHE . 1.5 pp -55.89 -44.33 78.07 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.253 -0.431 . . . . 45.44 110.871 179.949 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 12' ' ' PHE . . . . . 0.569 ' N ' HD12 ' B' ' 11' ' ' LEU . 14.2 m-85 -67.12 -20.54 65.79 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.227 -0.442 . . . . 73.32 110.915 179.951 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 13' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -61.99 -26.06 68.0 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.111 -0.495 . . . . 74.04 110.869 -179.887 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 14' ' ' GLU . . . . . . . . . . . . . 5.1 mt-10 -72.42 -34.45 67.85 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.18 -0.464 . . . . 75.44 110.895 -179.888 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 15' ' ' TRP . . . . . 0.419 ' CD2' ' HB2' ' B' ' 48' ' ' ALA . 5.6 t90 -66.88 -43.39 83.61 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.114 -0.493 . . . . 74.31 110.912 179.973 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 16' ' ' LYS . . . . . . . . . . . . . 3.0 ttpt -77.53 -30.31 52.78 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.303 -0.408 . . . . 62.21 110.947 179.891 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 17' ' ' LYS . . . . . . . . . . . . . 2.5 mmmt -75.3 -58.14 3.47 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.212 -0.449 . . . . 73.41 110.887 179.822 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 18' ' ' LEU . . . . . . . . . . . . . 89.3 mt -54.55 -31.95 57.41 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.223 -0.444 . . . . 72.4 110.896 179.962 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 19' ' ' ALA . . . . . 0.491 ' CB ' ' HB2' ' B' ' 45' ' ' ALA . . . -66.14 -28.08 68.52 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.183 -0.462 . . . . 53.54 111.138 179.761 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 20' ' ' GLU . . . . . . . . . . . . . 1.6 mt-10 -73.57 -49.26 27.23 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.198 -0.455 . . . . 72.33 110.867 -179.895 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 21' ' ' GLU . . . . . . . . . . . . . 3.3 mm-40 -72.87 -51.3 19.26 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.102 -0.499 . . . . 74.14 110.889 -179.947 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 22' ' ' ALA . . . . . . . . . . . . . . . -55.59 -22.76 23.65 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.193 -0.458 . . . . 62.52 111.118 179.907 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 23' ' ' ALA . . . . . 0.429 ' HB2' ' O ' ' B' ' 19' ' ' ALA . . . -76.2 -54.56 6.62 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.182 -0.463 . . . . 64.13 111.095 179.964 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 24' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -66.75 -29.92 70.01 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.228 -0.442 . . . . 72.31 110.91 179.928 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 25' ' ' LEU . . . . . 0.435 HD23 ' HA ' ' B' ' 25' ' ' LEU . 5.0 mt -77.69 -42.35 34.84 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.252 -0.431 . . . . 75.42 110.98 179.912 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 26' ' ' LEU . . . . . . . . . . . . . 5.3 mt -50.44 -50.12 53.06 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.12 -0.491 . . . . 73.11 110.912 179.849 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 27' ' ' GLU . . . . . . . . . . . . . 18.1 mt-10 -90.71 12.21 19.82 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.169 -0.469 . . . . 72.32 110.892 179.958 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 28' ' ' GLY . . . . . . . . . . . . . . . -59.29 -14.57 26.97 Favored Glycine 0 N--CA 1.451 -0.331 0 C-N-CA 120.708 -0.758 . . . . 70.21 112.541 179.998 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 29' ' ' GLY . . . . . . . . . . . . . . . 135.31 46.12 0.09 OUTLIER Glycine 0 N--CA 1.451 -0.364 0 C-N-CA 120.801 -0.714 . . . . 64.33 112.551 -179.883 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 30' ' ' GLY . . . . . . . . . . . . . . . 150.76 88.57 0.07 OUTLIER Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 120.707 -0.759 . . . . 74.12 112.48 -179.906 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 31' ' ' GLY . . . . . . . . . . . . . . . 146.58 40.97 0.04 OUTLIER Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.72 -0.752 . . . . 75.23 112.486 -179.943 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 32' ' ' GLY . . . . . . . . . . . . . . . -161.95 173.09 38.24 Favored Glycine 0 N--CA 1.451 -0.338 0 C-N-CA 120.818 -0.706 . . . . 55.31 112.555 -179.981 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 33' ' ' GLY . . . . . . . . . . . . . . . -161.96 49.71 0.34 Allowed Glycine 0 N--CA 1.451 -0.358 0 C-N-CA 120.733 -0.746 . . . . 74.34 112.455 -179.842 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 34' ' ' GLY . . . . . . . . . . . . . . . 131.71 -135.19 8.04 Favored Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 120.755 -0.736 . . . . 64.31 112.462 -179.958 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 35' ' ' GLY . . . . . . . . . . . . . . . -130.22 -64.67 0.1 Allowed Glycine 0 N--CA 1.45 -0.388 0 C-N-CA 120.745 -0.741 . . . . 72.34 112.505 -179.945 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 36' ' ' GLU . . . . . . . . . . . . . 23.5 tt0 -52.82 -35.87 57.72 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.892 0.377 . . . . 71.24 110.886 -179.869 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 37' ' ' LEU . . . . . 0.448 HD21 HH22 ' A' ' 58' ' ' ARG . 7.2 tp -57.37 -47.99 80.19 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.156 -0.474 . . . . 75.33 110.91 179.941 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 38' ' ' MET . . . . . 0.406 ' HE2' ' HA ' ' B' ' 38' ' ' MET . 0.1 OUTLIER -70.38 -26.64 63.8 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.187 -0.46 . . . . 64.13 110.827 179.914 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' B' B ' 39' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -54.0 -27.68 33.31 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.267 -0.424 . . . . 72.53 110.89 179.965 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 40' ' ' LEU . . . . . . . . . . . . . 2.1 mt -54.01 -61.13 2.5 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.244 -0.434 . . . . 65.51 110.886 179.917 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 41' ' ' CYS . . . . . 0.768 ' HB3' HD22 ' A' ' 51' ' ' LEU . 29.3 p -70.24 -28.4 65.22 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.191 -0.458 . . . . 61.43 110.839 179.997 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 42' ' ' GLU . . . . . . . . . . . . . 29.6 tt0 -60.45 -25.52 66.06 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.194 -0.457 . . . . 60.22 110.861 -179.822 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 43' ' ' GLU . . . . . . . . . . . . . 1.4 mm-40 -54.97 -26.02 33.8 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.184 -0.462 . . . . 62.43 110.833 -179.937 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 44' ' ' ALA . . . . . . . . . . . . . . . -51.75 -47.5 64.06 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.165 -0.47 . . . . 74.53 111.1 179.955 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 45' ' ' ALA . . . . . 0.491 ' HB2' ' CB ' ' B' ' 19' ' ' ALA . . . -71.85 -22.86 61.47 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.155 -0.475 . . . . 64.1 111.133 179.918 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 46' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -76.49 -52.75 9.2 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.225 -0.443 . . . . 64.25 110.923 179.935 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 47' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -68.45 -48.49 64.4 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.248 -0.433 . . . . 74.4 110.873 179.86 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 48' ' ' ALA . . . . . 0.419 ' HB2' ' CD2' ' B' ' 15' ' ' TRP . . . -51.89 -46.47 64.56 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.186 -0.461 . . . . 65.32 111.045 179.876 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 49' ' ' GLU . . . . . . . . . . . . . 42.2 tt0 -77.23 -30.6 54.63 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.238 -0.437 . . . . 62.53 110.852 -179.883 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 50' ' ' GLU . . . . . . . . . . . . . 1.2 mm-40 -64.83 -51.26 63.05 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.226 -0.443 . . . . 71.52 110.871 -179.945 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 51' ' ' LEU . . . . . 0.723 ' CB ' HD13 ' A' ' 40' ' ' LEU . 3.6 pp -71.67 -40.31 69.7 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.158 -0.474 . . . . 72.31 110.93 179.989 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 52' ' ' PHE . . . . . 0.405 ' CE1' ' HB1' ' B' ' 9' ' ' ALA . 32.3 t80 -69.06 -23.82 64.09 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.261 -0.427 . . . . 71.33 110.893 179.916 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 53' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -62.02 -57.01 13.26 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.158 -0.474 . . . . 71.14 110.937 179.927 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 54' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -75.06 -23.71 58.12 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.207 -0.451 . . . . 74.14 110.928 179.891 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 55' ' ' ALA . . . . . . . . . . . . . . . -57.7 -36.48 72.04 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.177 -0.465 . . . . 63.35 111.089 179.811 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 56' ' ' GLU . . . . . . . . . . . . . 14.1 mt-10 -52.97 -33.26 50.47 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.234 -0.439 . . . . 75.21 110.909 -179.908 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 57' ' ' GLU . . . . . . . . . . . . . 2.0 tm-20 -60.38 -50.36 73.92 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.062 -0.517 . . . . 75.43 110.876 -179.898 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 58' ' ' ARG . . . . . 0.523 HH22 HD21 ' A' ' 37' ' ' LEU . 0.0 OUTLIER -78.26 -22.65 48.01 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.168 -0.469 . . . . 74.4 110.824 -179.875 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' B' B ' 59' ' ' LEU . . . . . 0.802 HD22 ' HA ' ' B' ' 6' ' ' GLU . 36.1 mt -83.04 -76.61 0.27 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.221 -0.445 . . . . 63.12 110.919 -179.983 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 60' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -102.32 -175.79 2.93 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.24 -0.437 . . . . 71.35 110.927 179.852 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 61' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -101.92 -26.78 13.31 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.298 -0.41 . . . . 70.35 110.87 179.948 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 62' ' ' LEU . . . . . . . . . . . . . 1.7 mt . . . . . 0 C--N 1.329 -0.315 0 CA-C-N 116.211 -0.449 . . . . 73.45 110.872 179.877 . . . . . . . . 0 0 . 1 . 007 nuclear build full ' A' A ' 101' ' ' HLT . . . . . 0.538 'CL ' HD12 ' A' ' 18' ' ' LEU . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 1.4 ttp . . . . . 0 C--O 1.23 0.06 0 CA-C-O 120.859 0.361 . . . . 65.3 110.864 . . . . . . . . . 0 0 . 1 . 008 nuclear build full ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 6.1 pttm -52.1 148.3 6.4 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.176 -0.465 . . . . 64.31 110.909 179.983 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -178.4 -39.65 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.198 -0.455 . . . . 62.11 110.941 179.906 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 4.4 mm? -78.4 -32.94 49.02 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.191 -0.459 . . . . 74.44 110.865 179.929 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -71.72 -35.73 70.28 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.186 -0.461 . . . . 74.0 110.863 179.989 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 6' ' ' GLU . . . . . 0.507 ' CA ' HD13 ' A' ' 59' ' ' LEU . 0.2 OUTLIER -54.31 -27.78 37.9 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.195 -0.457 . . . . 70.32 110.813 -179.919 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -53.92 -51.81 62.57 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.199 -0.455 . . . . 75.5 110.85 -179.9 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -52.97 -28.13 22.35 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.251 -0.432 . . . . 71.35 111.102 179.889 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 9' ' ' ALA . . . . . 0.658 ' HB2' ' HB1' ' A' ' 55' ' ' ALA . . . -67.95 -39.21 83.44 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.187 -0.461 . . . . 63.04 111.103 179.968 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -74.97 -31.87 61.55 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.194 -0.457 . . . . 73.41 110.882 179.961 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 63.1 mt -51.87 -47.29 64.57 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.265 -0.425 . . . . 70.0 110.948 179.954 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 12' ' ' PHE . . . . . 0.418 ' CZ ' HD13 ' A' ' 51' ' ' LEU . 23.0 m-85 -74.17 -23.37 59.23 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.169 -0.469 . . . . 63.41 110.871 179.95 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 4.2 tm-20 -61.01 -35.91 78.09 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.095 -0.502 . . . . 74.43 110.918 -179.933 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 4.3 mt-10 -74.81 -30.4 61.4 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.158 -0.474 . . . . 74.31 110.917 -179.93 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 15' ' ' TRP . . . . . . . . . . . . . 20.4 m0 -60.04 -52.8 63.84 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.161 -0.472 . . . . 71.0 110.863 -179.995 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 7.2 tttp -68.8 -28.93 67.2 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.269 -0.423 . . . . 74.53 110.874 179.989 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -68.09 -57.6 5.84 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.236 -0.438 . . . . 70.31 110.926 179.847 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 18' ' ' LEU . . . . . 0.681 HD13 HD13 ' B' ' 18' ' ' LEU . 3.6 mt -54.93 -44.97 74.75 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.208 -0.451 . . . . 73.3 110.912 179.902 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -61.71 -34.28 75.51 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.185 -0.461 . . . . 31.24 111.076 179.831 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -57.88 -49.29 77.23 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.189 -0.46 . . . . 50.41 110.904 -179.939 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 32.6 mt-10 -74.03 -48.85 27.21 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.205 -0.452 . . . . 60.24 110.83 -179.915 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -56.38 -31.01 63.43 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.261 -0.427 . . . . 65.12 111.081 179.941 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -71.02 -54.26 11.86 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.235 -0.439 . . . . 64.12 111.139 179.893 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 5.3 ptpt -62.53 -35.1 78.37 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.233 -0.439 . . . . 75.12 110.943 179.881 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 25' ' ' LEU . . . . . 0.401 ' HA ' HD23 ' A' ' 25' ' ' LEU . 6.7 mt -76.53 -39.08 53.96 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.266 -0.425 . . . . 63.5 110.909 179.945 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 2.1 mt -50.44 -49.73 54.1 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.179 -0.464 . . . . 74.03 110.922 179.902 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -82.64 -12.25 57.78 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.137 -0.483 . . . . 73.14 110.866 179.967 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . 67.32 20.83 71.76 Favored Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 120.766 -0.73 . . . . 75.41 112.464 -179.967 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . 70.95 21.36 78.23 Favored Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.799 -0.715 . . . . 70.32 112.482 -179.882 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . 143.39 -40.54 1.21 Allowed Glycine 0 N--CA 1.452 -0.239 0 C-N-CA 120.684 -0.77 . . . . 52.14 112.447 -179.939 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . -84.84 77.09 2.14 Favored Glycine 0 N--CA 1.451 -0.347 0 C-N-CA 120.818 -0.706 . . . . 61.32 112.464 -179.867 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . -174.04 -149.48 7.06 Favored Glycine 0 N--CA 1.451 -0.364 0 C-N-CA 120.794 -0.717 . . . . 75.34 112.505 -179.912 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -65.44 -69.46 1.34 Allowed Glycine 0 N--CA 1.45 -0.376 0 C-N-CA 120.775 -0.726 . . . . 71.25 112.501 -179.944 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 67.27 44.6 85.33 Favored Glycine 0 N--CA 1.452 -0.272 0 C-N-CA 120.75 -0.738 . . . . 73.12 112.455 -179.9 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . -137.81 -170.33 11.85 Favored Glycine 0 N--CA 1.451 -0.335 0 C-N-CA 120.707 -0.759 . . . . 65.41 112.467 -179.892 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 28.5 tt0 -54.49 -30.73 54.19 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.852 0.358 . . . . 72.23 110.876 -179.908 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 1.7 pp -54.19 -30.43 49.66 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.157 -0.474 . . . . 55.22 110.834 -179.934 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 38' ' ' MET . . . . . . . . . . . . . 0.4 OUTLIER -70.17 -39.27 75.37 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.186 -0.461 . . . . 64.34 110.898 179.844 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 25.9 ttmt -61.28 -28.31 69.09 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.216 -0.447 . . . . 62.54 110.906 179.964 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 1.6 mt -59.31 -56.44 22.07 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.207 -0.451 . . . . 55.42 110.974 179.879 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 41' ' ' CYS . . . . . . . . . . . . . 28.6 p -73.55 -27.89 61.58 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.14 -0.482 . . . . 74.12 110.804 179.963 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 29.8 tt0 -61.3 -26.11 67.57 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.226 -0.443 . . . . 74.43 110.893 -179.86 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 2.3 mt-10 -57.06 -26.99 61.31 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.179 -0.464 . . . . 54.41 110.897 -179.97 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -52.45 -44.13 65.34 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.149 -0.478 . . . . 64.25 111.102 179.909 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -75.05 -24.31 58.23 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.245 -0.434 . . . . 75.32 111.022 -179.974 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -74.56 -48.72 25.16 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.207 -0.452 . . . . 61.53 110.936 179.961 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 48.7 mmtt -69.74 -51.98 29.43 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.201 -0.454 . . . . 73.5 110.896 179.852 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -52.1 -40.63 61.54 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.243 -0.435 . . . . 52.53 111.178 179.77 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 1.7 tt0 -68.75 -34.35 75.44 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.167 -0.47 . . . . 71.41 110.907 -179.997 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 1.3 tp10 -71.94 -51.03 24.07 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.184 -0.462 . . . . 64.01 110.896 -179.917 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 51' ' ' LEU . . . . . 0.418 HD13 ' CZ ' ' A' ' 12' ' ' PHE . 1.2 pp -68.07 -26.02 65.63 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.093 -0.503 . . . . 73.22 110.941 179.966 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 52' ' ' PHE . . . . . . . . . . . . . 12.1 t80 -54.91 -30.81 59.22 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.22 -0.446 . . . . 74.5 110.877 179.965 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 1.1 mtpp -61.54 -35.8 78.76 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.137 -0.483 . . . . 61.34 110.88 -179.974 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 54' ' ' LEU . . . . . . . . . . . . . 6.6 tp -54.97 -26.22 35.13 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.19 -0.459 . . . . 60.41 110.859 179.905 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 55' ' ' ALA . . . . . 0.658 ' HB1' ' HB2' ' A' ' 9' ' ' ALA . . . -53.75 -28.88 37.08 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.218 -0.447 . . . . 61.51 111.187 179.769 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 56' ' ' GLU . . . . . 0.71 ' HB3' HD12 ' A' ' 62' ' ' LEU . 22.0 tt0 -65.53 -52.96 48.69 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.184 -0.462 . . . . 75.14 110.913 -179.942 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 9.8 tt0 -54.49 -40.8 68.86 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.144 -0.48 . . . . 75.42 110.888 179.993 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 4.7 mtp180 -78.14 -25.11 47.18 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.126 -0.488 . . . . 73.32 110.905 -179.882 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 59' ' ' LEU . . . . . 0.507 HD13 ' CA ' ' A' ' 6' ' ' GLU . 63.6 tp -85.55 -68.12 0.75 Allowed 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.158 -0.474 . . . . 43.44 110.87 -179.974 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 60' ' ' LYS . . . . . 0.46 ' HD3' HD23 ' A' ' 59' ' ' LEU . 0.0 OUTLIER -102.57 -75.28 0.61 Allowed 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.294 -0.412 . . . . 73.14 110.925 179.806 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER -179.79 -34.4 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.243 -0.435 . . . . 74.5 110.937 179.874 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 62' ' ' LEU . . . . . 0.71 HD12 ' HB3' ' A' ' 56' ' ' GLU . 6.5 tt . . . . . 0 C--N 1.329 -0.302 0 CA-C-N 116.178 -0.465 . . . . 53.42 110.84 179.88 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 1' ' ' MET . . . . . . . . . . . . . 1.5 ttp . . . . . 0 C--O 1.231 0.117 0 CA-C-O 120.913 0.387 . . . . 64.24 110.869 . . . . . . . . . 0 0 . 1 . 008 nuclear build full ' B' B ' 2' ' ' LYS . . . . . . . . . . . . . 6.0 pttm -52.17 148.03 6.86 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.232 -0.44 . . . . 75.41 110.844 179.973 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 3' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -178.36 -39.76 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.175 -0.466 . . . . 74.51 110.905 179.814 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 4' ' ' LEU . . . . . . . . . . . . . 4.4 mm? -78.25 -32.82 49.86 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.169 -0.469 . . . . 73.1 110.893 179.984 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 5' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -71.93 -35.89 69.77 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.164 -0.471 . . . . 74.42 110.863 179.935 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 6' ' ' GLU . . . . . 0.522 ' CA ' HD13 ' B' ' 59' ' ' LEU . 0.2 OUTLIER -54.35 -27.26 34.91 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.232 -0.44 . . . . 74.53 110.912 -179.933 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' B' B ' 7' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -53.72 -51.64 62.64 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.1 -0.5 . . . . 75.42 110.916 -179.932 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 8' ' ' ALA . . . . . . . . . . . . . . . -52.86 -27.66 19.44 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.149 -0.478 . . . . 33.42 111.085 179.935 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 9' ' ' ALA . . . . . 0.68 ' HB2' ' HB1' ' B' ' 55' ' ' ALA . . . -67.16 -39.63 86.54 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.227 -0.442 . . . . 65.23 111.114 179.905 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 10' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -76.09 -31.98 59.0 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.198 -0.456 . . . . 71.51 110.931 179.999 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 11' ' ' LEU . . . . . . . . . . . . . 60.9 mt -51.82 -47.5 64.29 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.234 -0.439 . . . . 73.32 110.882 179.861 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 12' ' ' PHE . . . . . . . . . . . . . 22.7 m-85 -74.08 -23.34 59.33 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.145 -0.48 . . . . 74.23 110.904 179.981 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 13' ' ' GLU . . . . . . . . . . . . . 4.1 tm-20 -61.01 -35.43 76.84 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.113 -0.494 . . . . 54.44 110.863 -179.935 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 14' ' ' GLU . . . . . . . . . . . . . 4.3 mt-10 -74.31 -30.93 62.28 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.169 -0.469 . . . . 64.32 110.885 -179.912 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 15' ' ' TRP . . . . . . . . . . . . . 19.8 m0 -60.19 -53.08 62.02 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.203 -0.453 . . . . 73.53 110.915 -179.984 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 16' ' ' LYS . . . . . . . . . . . . . 7.2 tttp -68.88 -29.06 67.27 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.201 -0.454 . . . . 73.11 110.938 179.917 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 17' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -68.2 -57.71 5.59 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.217 -0.447 . . . . 75.14 110.9 179.875 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 18' ' ' LEU . . . . . 0.681 HD13 HD13 ' A' ' 18' ' ' LEU . 3.6 mt -54.99 -44.94 74.93 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.214 -0.448 . . . . 72.1 110.918 179.93 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 19' ' ' ALA . . . . . 0.663 ' HB2' 'BR ' ' A' ' 101' ' ' HLT . . . -61.82 -34.44 75.95 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.175 -0.466 . . . . 73.03 111.137 179.774 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 20' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -57.83 -49.29 77.15 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.275 -0.421 . . . . 75.11 110.876 -179.989 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 21' ' ' GLU . . . . . . . . . . . . . 32.5 mt-10 -74.09 -48.97 26.1 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.191 -0.459 . . . . 74.54 110.811 -179.859 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 22' ' ' ALA . . . . . . . . . . . . . . . -56.33 -30.9 63.2 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.185 -0.461 . . . . 73.22 111.1 179.987 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 23' ' ' ALA . . . . . . . . . . . . . . . -71.08 -54.21 11.92 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.187 -0.461 . . . . 72.52 111.065 179.922 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 24' ' ' LYS . . . . . . . . . . . . . 5.2 ptpt -62.67 -35.02 78.33 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.289 -0.414 . . . . 75.25 110.877 -179.984 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 25' ' ' LEU . . . . . . . . . . . . . 6.7 mt -76.65 -39.02 53.57 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.185 -0.461 . . . . 75.04 110.901 179.971 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 26' ' ' LEU . . . . . . . . . . . . . 2.3 mt -50.43 -49.81 53.83 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.21 -0.45 . . . . 72.51 110.937 179.874 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 27' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -82.46 -12.32 57.92 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.128 -0.487 . . . . 71.35 110.905 179.9 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 28' ' ' GLY . . . . . . . . . . . . . . . 67.08 21.26 71.63 Favored Glycine 0 N--CA 1.451 -0.325 0 C-N-CA 120.754 -0.736 . . . . 61.22 112.504 -179.904 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 29' ' ' GLY . . . . . . . . . . . . . . . 71.35 21.15 78.59 Favored Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.735 -0.745 . . . . 60.31 112.512 -179.925 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 30' ' ' GLY . . . . . . . . . . . . . . . 143.26 -40.44 1.23 Allowed Glycine 0 N--CA 1.451 -0.32 0 C-N-CA 120.721 -0.752 . . . . 43.41 112.45 -179.902 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 31' ' ' GLY . . . . . . . . . . . . . . . -85.08 77.41 2.11 Favored Glycine 0 N--CA 1.452 -0.298 0 C-N-CA 120.75 -0.738 . . . . 70.14 112.441 -179.915 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 32' ' ' GLY . . . . . . . . . . . . . . . -173.71 -149.97 7.28 Favored Glycine 0 N--CA 1.452 -0.285 0 C-N-CA 120.75 -0.738 . . . . 73.0 112.458 -179.945 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 33' ' ' GLY . . . . . . . . . . . . . . . -65.67 -69.66 1.29 Allowed Glycine 0 N--CA 1.45 -0.375 0 C-N-CA 120.75 -0.738 . . . . 54.22 112.566 -179.997 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 34' ' ' GLY . . . . . . . . . . . . . . . 67.37 44.47 84.59 Favored Glycine 0 N--CA 1.45 -0.39 0 C-N-CA 120.739 -0.743 . . . . 64.23 112.496 -179.95 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 35' ' ' GLY . . . . . . . . . . . . . . . -137.83 -170.46 11.88 Favored Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.693 -0.765 . . . . 72.21 112.428 -179.924 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 36' ' ' GLU . . . . . . . . . . . . . 28.4 tt0 -54.86 -31.06 59.22 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-O 120.853 0.359 . . . . 73.4 110.865 -179.842 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 37' ' ' LEU . . . . . . . . . . . . . 1.7 pp -54.34 -31.22 53.93 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.157 -0.474 . . . . 72.14 110.953 -179.995 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 38' ' ' MET . . . . . . . . . . . . . 0.4 OUTLIER -70.7 -39.08 73.65 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.12 -0.491 . . . . 73.12 110.965 179.799 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 39' ' ' LYS . . . . . . . . . . . . . 26.0 ttmt -61.26 -28.12 68.95 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.192 -0.458 . . . . 71.33 110.899 179.908 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 40' ' ' LEU . . . . . . . . . . . . . 1.6 mt -58.82 -56.64 19.65 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.23 -0.441 . . . . 72.33 110.901 179.926 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 41' ' ' CYS . . . . . . . . . . . . . 29.0 p -73.54 -27.89 61.58 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.219 -0.446 . . . . 52.33 110.902 179.961 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 42' ' ' GLU . . . . . . . . . . . . . 30.0 tt0 -61.05 -25.94 67.28 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.116 -0.493 . . . . 74.22 110.917 -179.867 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 43' ' ' GLU . . . . . . . . . . . . . 2.3 mt-10 -56.91 -27.09 60.4 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.11 -0.495 . . . . 73.12 110.857 -179.877 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 44' ' ' ALA . . . . . . . . . . . . . . . -52.44 -44.02 65.24 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.135 -0.484 . . . . 71.4 111.082 179.938 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 45' ' ' ALA . . . . . . . . . . . . . . . -75.13 -24.34 57.99 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.222 -0.445 . . . . 74.24 111.056 -179.988 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 46' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -74.44 -48.93 24.56 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.177 -0.465 . . . . 75.14 110.853 179.967 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 47' ' ' LYS . . . . . . . . . . . . . 48.5 mmtt -70.13 -51.54 30.67 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.225 -0.443 . . . . 72.23 110.934 179.873 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 48' ' ' ALA . . . . . . . . . . . . . . . -51.93 -40.56 60.98 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.168 -0.469 . . . . 74.13 111.118 179.824 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 49' ' ' GLU . . . . . . . . . . . . . 1.7 tt0 -68.62 -34.35 75.6 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.194 -0.457 . . . . 63.4 110.93 -179.916 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 50' ' ' GLU . . . . . . . . . . . . . 1.3 tp10 -72.25 -50.96 23.25 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.099 -0.5 . . . . 71.03 110.879 -179.922 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 51' ' ' LEU . . . . . . . . . . . . . 1.2 pp -68.19 -24.06 64.91 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.165 -0.471 . . . . 71.31 110.917 -179.94 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 52' ' ' PHE . . . . . . . . . . . . . 11.3 t80 -53.99 -31.74 51.83 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.18 -0.463 . . . . 73.04 110.814 179.992 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 53' ' ' LYS . . . . . . . . . . . . . 1.1 mtpp -61.92 -33.0 73.45 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.174 -0.466 . . . . 74.44 110.804 179.992 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 54' ' ' LEU . . . . . . . . . . . . . 6.7 tp -55.21 -25.37 32.61 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.326 -0.397 . . . . 53.45 110.886 179.954 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 55' ' ' ALA . . . . . 0.68 ' HB1' ' HB2' ' B' ' 9' ' ' ALA . . . -54.87 -33.87 62.32 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.21 -0.45 . . . . 30.53 111.098 179.821 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 56' ' ' GLU . . . . . 0.673 ' HB2' HD12 ' B' ' 62' ' ' LEU . 44.3 mt-10 -66.42 -36.55 83.09 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.239 -0.437 . . . . 72.13 110.859 -179.922 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 57' ' ' GLU . . . . . . . . . . . . . 9.9 tt0 -59.84 -47.81 84.24 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.178 -0.465 . . . . 65.11 110.915 -179.953 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 58' ' ' ARG . . . . . . . . . . . . . 3.6 mpp_? -78.8 -29.31 44.81 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.193 -0.458 . . . . 61.41 110.823 -179.896 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 59' ' ' LEU . . . . . 0.522 HD13 ' CA ' ' B' ' 6' ' ' GLU . 47.5 tp -74.47 -67.08 0.66 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.205 -0.452 . . . . 73.25 110.899 -179.96 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 60' ' ' LYS . . . . . 0.519 ' HD3' HD23 ' B' ' 59' ' ' LEU . 0.0 OUTLIER -111.77 -75.98 0.6 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.205 -0.452 . . . . 72.33 110.831 179.907 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' B' B ' 61' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER 179.04 -33.81 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.134 -0.485 . . . . 75.02 110.917 179.918 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 62' ' ' LEU . . . . . 0.673 HD12 ' HB2' ' B' ' 56' ' ' GLU . 6.7 tt . . . . . 0 C--N 1.328 -0.335 0 CA-C-N 116.169 -0.469 . . . . 51.43 110.892 179.897 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 101' ' ' HLT . . . . . 0.663 'BR ' ' HB2' ' B' ' 19' ' ' ALA . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 6.1 mtm . . . . . 0 C--O 1.232 0.14 0 CA-C-O 120.88 0.371 . . . . 64.31 110.858 . . . . . . . . . 0 0 . 1 . 009 nuclear build full ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 6.9 pttt -123.1 171.98 8.89 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.216 -0.447 . . . . 75.13 110.895 179.935 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 3' ' ' LYS . . . . . 0.433 ' C ' HD22 ' A' ' 4' ' ' LEU . 1.9 mtpt -157.17 49.48 0.45 Allowed 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.248 -0.433 . . . . 72.21 110.911 179.862 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 4' ' ' LEU . . . . . 0.466 HD22 ' N ' ' A' ' 4' ' ' LEU . 1.7 mm? 60.57 17.86 7.81 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.198 -0.455 . . . . 62.43 110.888 179.891 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 0.8 OUTLIER -72.84 -41.06 65.21 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.223 -0.444 . . . . 75.45 110.829 -179.982 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 21.5 tt0 -53.96 -30.66 47.76 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.188 -0.46 . . . . 74.21 110.866 -179.921 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -55.28 -50.24 70.04 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.113 -0.494 . . . . 64.03 110.85 -179.893 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -54.4 -27.98 40.42 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.127 -0.488 . . . . 42.41 111.116 179.953 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 9' ' ' ALA . . . . . 0.442 ' HB2' ' HB1' ' A' ' 55' ' ' ALA . . . -74.03 -38.04 64.15 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.181 -0.463 . . . . 74.12 111.088 179.952 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 1.7 mtmt -70.89 -29.29 65.33 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.262 -0.426 . . . . 75.41 110.911 179.934 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 56.6 mt -51.65 -45.26 63.3 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.234 -0.439 . . . . 72.21 110.94 179.942 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 27.4 m-85 -74.23 -29.35 61.67 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.129 -0.487 . . . . 72.12 110.857 179.962 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -59.69 -36.5 76.63 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.131 -0.486 . . . . 74.13 110.935 -179.928 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 2.7 mt-10 -75.01 -33.85 61.85 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.123 -0.489 . . . . 75.52 110.931 179.99 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 15' ' ' TRP . . . . . . . . . . . . . 1.3 m0 -61.42 -45.96 92.14 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.15 -0.477 . . . . 74.35 110.872 -179.931 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 16' ' ' LYS . . . . . 0.408 ' HB2' ' HB3' ' A' ' 48' ' ' ALA . 0.3 OUTLIER -77.32 -27.57 52.9 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.247 -0.433 . . . . 72.3 110.841 179.969 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -71.58 -53.13 14.76 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.244 -0.435 . . . . 72.31 110.835 179.935 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 22.8 mt -54.79 -29.0 53.24 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.247 -0.433 . . . . 72.23 110.927 179.99 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -65.98 -34.88 79.11 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.142 -0.481 . . . . 74.31 111.154 179.754 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 3.3 tt0 -56.3 -49.31 74.66 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.185 -0.461 . . . . 62.43 110.86 -179.93 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 1.7 mm-40 -74.1 -51.52 15.46 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.204 -0.453 . . . . 70.23 110.846 -179.884 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -53.54 -30.64 42.75 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.136 -0.483 . . . . 63.21 111.113 179.952 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -70.8 -54.09 12.92 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.187 -0.46 . . . . 71.51 111.11 179.889 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -64.58 -33.42 75.89 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.242 -0.435 . . . . 75.21 110.9 179.978 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 25' ' ' LEU . . . . . 0.434 HD23 ' HA ' ' A' ' 25' ' ' LEU . 4.8 mt -76.59 -40.35 49.78 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.224 -0.444 . . . . 73.14 110.932 179.88 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 2.9 mt -50.74 -49.92 56.77 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 116.205 -0.452 . . . . 61.53 110.975 179.88 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 11.9 mm-40 -93.32 12.51 24.44 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.152 -0.476 . . . . 73.12 110.872 179.858 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . -59.29 -14.6 27.09 Favored Glycine 0 N--CA 1.453 -0.227 0 C-N-CA 120.784 -0.722 . . . . 55.11 112.456 -179.945 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . 138.68 47.48 0.06 OUTLIER Glycine 0 N--CA 1.451 -0.342 0 C-N-CA 120.746 -0.74 . . . . 41.03 112.493 -179.894 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . -175.6 35.09 0.1 OUTLIER Glycine 0 N--CA 1.452 -0.286 0 C-N-CA 120.703 -0.76 . . . . 74.41 112.43 -179.893 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . -130.01 -120.07 2.2 Favored Glycine 0 N--CA 1.452 -0.289 0 C-N-CA 120.683 -0.77 . . . . 44.03 112.478 -179.961 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . -109.51 -61.54 0.52 Allowed Glycine 0 N--CA 1.451 -0.347 0 C-N-CA 120.713 -0.756 . . . . 72.24 112.511 -179.932 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . 151.85 -60.43 0.41 Allowed Glycine 0 N--CA 1.451 -0.343 0 C-N-CA 120.718 -0.753 . . . . 62.11 112.452 -179.944 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 176.32 82.86 0.06 OUTLIER Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 120.768 -0.73 . . . . 74.52 112.463 -179.954 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . -144.1 -154.24 6.08 Favored Glycine 0 N--CA 1.451 -0.341 0 C-N-CA 120.707 -0.758 . . . . 72.03 112.491 -179.947 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 1.5 pt-20 -73.49 -12.69 60.87 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-O 120.8 0.333 . . . . 64.24 110.895 -179.914 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 4.8 tp -51.46 -55.16 20.33 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.188 -0.46 . . . . 75.03 110.95 -179.95 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 38' ' ' MET . . . . . . . . . . . . . 33.1 tpp -68.7 -34.42 75.62 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.203 -0.453 . . . . 64.3 110.874 179.787 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -55.23 -28.68 54.92 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.242 -0.435 . . . . 61.42 110.943 179.937 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 40' ' ' LEU . . . . . 0.562 ' CB ' HD21 ' B' ' 51' ' ' LEU . 4.7 mt -68.69 -57.13 6.11 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.177 -0.465 . . . . 65.31 110.892 179.941 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 41' ' ' CYS . . . . . . . . . . . . . 17.8 p -67.68 -24.4 65.41 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.201 -0.454 . . . . 64.41 110.874 179.962 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 1.7 mt-10 -55.87 -25.13 40.93 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.201 -0.454 . . . . 72.55 110.903 -179.956 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 12.2 mm-40 -54.28 -28.31 41.09 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.2 -0.455 . . . . 70.34 110.852 -179.975 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -51.51 -43.5 62.27 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.18 -0.463 . . . . 51.23 111.126 179.929 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -75.04 -22.84 58.15 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.155 -0.475 . . . . 73.23 111.128 179.928 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -77.75 -51.03 11.2 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.212 -0.449 . . . . 73.1 110.925 179.917 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 47' ' ' LYS . . . . . 0.463 ' C ' HD12 ' A' ' 51' ' ' LEU . 0.8 OUTLIER -69.03 -53.41 20.62 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.23 -0.441 . . . . 70.0 110.926 179.837 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 48' ' ' ALA . . . . . 0.408 ' HB3' ' HB2' ' A' ' 16' ' ' LYS . . . -51.96 -29.67 21.48 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.216 -0.447 . . . . 75.25 111.09 179.897 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 2.0 tt0 -71.26 -44.45 65.26 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.185 -0.461 . . . . 73.43 110.895 -179.961 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 27.1 tp10 -74.0 -33.43 63.8 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.118 -0.492 . . . . 63.3 110.914 -179.945 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 51' ' ' LEU . . . . . 0.685 ' HG ' HD13 ' B' ' 40' ' ' LEU . 2.4 mt -71.23 -38.2 71.98 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.145 -0.479 . . . . 62.12 110.886 -179.945 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 52' ' ' PHE . . . . . . . . . . . . . 43.1 t80 -53.86 -30.92 47.74 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.253 -0.43 . . . . 63.34 110.857 179.973 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 1.6 mptt -75.61 -39.82 57.35 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.136 -0.483 . . . . 75.03 110.9 179.931 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 54' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -59.54 -25.07 64.22 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.199 -0.455 . . . . 75.42 110.927 179.94 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 55' ' ' ALA . . . . . 0.442 ' HB1' ' HB2' ' A' ' 9' ' ' ALA . . . -68.4 -30.44 69.35 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.152 -0.476 . . . . 72.15 111.099 179.785 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 39.6 tt0 -52.83 -34.34 53.5 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.226 -0.443 . . . . 73.44 110.855 -179.908 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 2.3 tt0 -65.81 -43.0 89.95 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.193 -0.458 . . . . 74.24 110.901 -179.973 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 2.5 mpt_? -77.75 -25.66 49.33 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.126 -0.488 . . . . 75.44 110.907 -179.929 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 59' ' ' LEU . . . . . . . . . . . . . 1.5 tp -85.43 -73.65 0.43 Allowed 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.214 -0.448 . . . . 72.41 110.937 179.999 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -105.57 -175.55 2.83 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.188 -0.46 . . . . 74.42 110.888 179.782 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 5.5 mttt -102.0 29.49 5.01 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.187 -0.46 . . . . 74.51 110.93 179.864 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 3.4 mp . . . . . 0 C--N 1.329 -0.291 0 CA-C-N 116.259 -0.428 . . . . 51.25 110.975 179.942 . . . . . . . . 0 0 . 1 . 009 nuclear build full ' B' B ' 1' ' ' MET . . . . . . . . . . . . . 6.2 mtm . . . . . 0 C--O 1.231 0.116 0 CA-C-O 120.856 0.36 . . . . 71.21 110.816 . . . . . . . . . 0 0 . 1 . 009 nuclear build full ' B' B ' 2' ' ' LYS . . . . . . . . . . . . . 6.8 pttt -122.3 171.07 9.31 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.18 -0.463 . . . . 75.53 110.922 179.916 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 3' ' ' LYS . . . . . 0.418 ' C ' HD22 ' B' ' 4' ' ' LEU . 1.7 mtpt -158.01 50.86 0.42 Allowed 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.253 -0.43 . . . . 74.53 110.925 179.809 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 4' ' ' LEU . . . . . 0.467 HD22 ' N ' ' B' ' 4' ' ' LEU . 1.8 mm? 60.47 18.14 7.93 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.212 -0.449 . . . . 75.02 110.958 179.977 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 5' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER -73.11 -38.44 66.34 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.195 -0.457 . . . . 54.14 110.899 179.939 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 6' ' ' GLU . . . . . 0.572 ' N ' HD23 ' B' ' 59' ' ' LEU . 20.3 tt0 -53.78 -28.39 34.56 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.22 -0.445 . . . . 72.5 110.89 -179.979 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 7' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -53.15 -50.97 63.46 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.123 -0.489 . . . . 74.23 110.924 -179.958 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 8' ' ' ALA . . . . . . . . . . . . . . . -52.51 -27.36 16.1 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.196 -0.456 . . . . 74.23 111.062 179.957 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 9' ' ' ALA . . . . . 0.697 ' HB2' ' CB ' ' B' ' 55' ' ' ALA . . . -74.26 -37.81 63.64 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.268 -0.424 . . . . 45.14 111.111 179.933 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 10' ' ' LYS . . . . . . . . . . . . . 1.7 mtmt -70.88 -34.97 72.13 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.238 -0.437 . . . . 74.31 110.918 179.973 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 11' ' ' LEU . . . . . . . . . . . . . 49.6 mt -51.86 -44.4 63.66 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.239 -0.437 . . . . 64.44 110.958 179.862 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 12' ' ' PHE . . . . . . . . . . . . . 27.4 m-85 -74.14 -24.97 59.5 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.275 -0.421 . . . . 74.22 110.882 179.917 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 13' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -53.85 -27.81 32.06 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.174 -0.466 . . . . 75.41 110.904 -179.938 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 14' ' ' GLU . . . . . . . . . . . . . 2.7 mt-10 -68.16 -38.21 81.84 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.133 -0.485 . . . . 74.32 110.881 -179.93 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 15' ' ' TRP . . . . . 0.408 ' CD1' ' HB1' ' B' ' 44' ' ' ALA . 5.2 t90 -64.7 -42.42 95.31 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.174 -0.466 . . . . 75.44 110.909 179.999 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 16' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -77.51 -29.01 52.25 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.276 -0.42 . . . . 70.32 110.92 179.892 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 17' ' ' LYS . . . . . . . . . . . . . 1.1 mmtp -75.05 -55.53 5.65 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.271 -0.422 . . . . 72.41 110.888 179.852 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 18' ' ' LEU . . . . . . . . . . . . . 22.7 mt -54.4 -26.95 33.41 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.163 -0.471 . . . . 64.14 110.942 179.927 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 19' ' ' ALA . . . . . . . . . . . . . . . -64.23 -39.43 93.96 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.161 -0.472 . . . . 72.53 111.098 179.792 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 20' ' ' GLU . . . . . . . . . . . . . 3.3 tt0 -56.41 -49.65 73.9 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.262 -0.426 . . . . 72.03 110.837 -179.924 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 21' ' ' GLU . . . . . . . . . . . . . 1.7 mm-40 -74.13 -51.52 15.36 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.16 -0.473 . . . . 75.14 110.863 -179.904 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 22' ' ' ALA . . . . . . . . . . . . . . . -53.34 -30.66 40.54 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.221 -0.445 . . . . 71.44 111.126 179.933 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 23' ' ' ALA . . . . . . . . . . . . . . . -70.78 -54.11 12.9 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.225 -0.443 . . . . 75.12 111.076 179.916 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 24' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -64.67 -33.49 76.06 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.277 -0.42 . . . . 73.34 110.898 179.989 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 25' ' ' LEU . . . . . 0.439 HD23 ' HA ' ' B' ' 25' ' ' LEU . 4.7 mt -76.46 -40.3 50.84 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.223 -0.444 . . . . 74.24 110.889 179.927 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 26' ' ' LEU . . . . . . . . . . . . . 2.8 mt -50.75 -50.28 56.06 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.208 -0.451 . . . . 74.24 110.96 179.916 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 27' ' ' GLU . . . . . . . . . . . . . 12.1 mm-40 -94.49 12.44 27.3 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.197 -0.456 . . . . 55.3 110.88 179.927 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 28' ' ' GLY . . . . . . . . . . . . . . . -59.22 -14.77 27.43 Favored Glycine 0 N--CA 1.452 -0.278 0 C-N-CA 120.757 -0.735 . . . . 31.13 112.41 -179.908 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 29' ' ' GLY . . . . . . . . . . . . . . . 136.54 47.11 0.08 OUTLIER Glycine 0 N--CA 1.451 -0.346 0 C-N-CA 120.733 -0.746 . . . . 43.23 112.455 -179.88 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 30' ' ' GLY . . . . . . . . . . . . . . . -176.46 36.67 0.09 OUTLIER Glycine 0 N--CA 1.451 -0.302 0 C-N-CA 120.739 -0.743 . . . . 50.31 112.474 -179.91 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 31' ' ' GLY . . . . . . . . . . . . . . . -129.0 -122.66 2.48 Favored Glycine 0 N--CA 1.45 -0.412 0 C-N-CA 120.731 -0.747 . . . . 71.03 112.502 -179.941 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 32' ' ' GLY . . . . . . . . . . . . . . . -111.62 -61.4 0.47 Allowed Glycine 0 N--CA 1.451 -0.334 0 C-N-CA 120.786 -0.721 . . . . 64.43 112.518 -179.884 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 33' ' ' GLY . . . . . . . . . . . . . . . 151.84 -58.22 0.43 Allowed Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 120.712 -0.756 . . . . 64.22 112.477 -179.886 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 34' ' ' GLY . . . . . . . . . . . . . . . 178.27 81.3 0.06 OUTLIER Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 120.732 -0.747 . . . . 53.51 112.474 -179.906 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 35' ' ' GLY . . . . . . . . . . . . . . . -144.99 -153.55 5.89 Favored Glycine 0 N--CA 1.452 -0.299 0 C-N-CA 120.694 -0.765 . . . . 43.21 112.525 -179.937 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 36' ' ' GLU . . . . . . . . . . . . . 1.5 pt-20 -73.81 -12.88 60.83 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 120.884 0.373 . . . . 41.53 110.873 -179.875 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 37' ' ' LEU . . . . . . . . . . . . . 4.6 tp -51.38 -55.86 16.29 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.185 -0.461 . . . . 75.15 110.929 -179.992 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 38' ' ' MET . . . . . . . . . . . . . 33.5 tpp -69.21 -34.25 74.6 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.206 -0.452 . . . . 64.24 110.843 179.848 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 39' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -54.17 -29.31 45.15 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.27 -0.423 . . . . 74.03 110.875 179.953 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 40' ' ' LEU . . . . . 0.685 HD13 ' HG ' ' A' ' 51' ' ' LEU . 5.1 mt -66.56 -59.17 3.87 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.231 -0.44 . . . . 71.32 110.899 179.955 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 41' ' ' CYS . . . . . . . . . . . . . 18.2 p -67.05 -25.36 66.22 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.141 -0.482 . . . . 72.22 110.987 179.869 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 42' ' ' GLU . . . . . . . . . . . . . 1.7 mt-10 -57.22 -25.48 59.16 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.125 -0.489 . . . . 75.5 110.89 -179.914 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 43' ' ' GLU . . . . . . . . . . . . . 12.3 mm-40 -54.6 -27.43 39.26 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.142 -0.481 . . . . 53.24 110.893 -179.935 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 44' ' ' ALA . . . . . 0.408 ' HB1' ' CD1' ' B' ' 15' ' ' TRP . . . -51.71 -45.76 63.69 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.107 -0.497 . . . . 61.13 111.157 179.887 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 45' ' ' ALA . . . . . . . . . . . . . . . -72.99 -22.91 60.6 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.175 -0.466 . . . . 63.21 111.109 179.895 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 46' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -76.89 -51.05 11.93 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.227 -0.442 . . . . 65.42 110.893 179.965 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 47' ' ' LYS . . . . . 0.476 ' C ' HD12 ' B' ' 51' ' ' LEU . 0.8 OUTLIER -70.71 -53.89 13.92 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.276 -0.42 . . . . 70.11 110.897 179.888 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' B' B ' 48' ' ' ALA . . . . . . . . . . . . . . . -51.89 -29.8 21.42 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.234 -0.439 . . . . 64.45 111.117 179.859 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 49' ' ' GLU . . . . . . . . . . . . . 2.0 tt0 -70.96 -44.39 66.14 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.18 -0.464 . . . . 75.24 110.87 -179.94 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 50' ' ' GLU . . . . . . . . . . . . . 27.1 tp10 -74.0 -35.02 64.39 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.147 -0.479 . . . . 75.25 110.975 -179.979 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 51' ' ' LEU . . . . . 0.562 HD21 ' CB ' ' A' ' 40' ' ' LEU . 2.5 mt -73.13 -45.62 55.77 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.088 -0.506 . . . . 71.3 110.921 -179.972 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 52' ' ' PHE . . . . . . . . . . . . . 42.8 t80 -53.84 -34.83 60.46 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.169 -0.469 . . . . 72.22 110.934 179.924 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 53' ' ' LYS . . . . . . . . . . . . . 1.7 mptt -76.2 -35.3 59.15 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.067 -0.515 . . . . 74.25 110.915 179.937 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 54' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -54.6 -27.89 42.46 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.248 -0.433 . . . . 72.23 110.934 179.907 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 55' ' ' ALA . . . . . 0.697 ' CB ' ' HB2' ' B' ' 9' ' ' ALA . . . -73.13 -35.83 66.59 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.081 -0.509 . . . . 51.02 111.09 179.814 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 56' ' ' GLU . . . . . . . . . . . . . 39.5 tt0 -52.59 -34.26 49.94 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.209 -0.451 . . . . 51.5 110.91 -179.973 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 57' ' ' GLU . . . . . . . . . . . . . 2.3 tt0 -66.11 -40.31 90.63 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 116.137 -0.483 . . . . 71.32 110.882 -179.878 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 58' ' ' ARG . . . . . . . . . . . . . 2.4 mpt_? -78.42 -28.29 46.78 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.137 -0.483 . . . . 73.43 110.894 -179.954 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 59' ' ' LEU . . . . . 0.572 HD23 ' N ' ' B' ' 6' ' ' GLU . 1.4 tm? -84.19 -69.95 0.61 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.182 -0.463 . . . . 73.25 110.874 -179.924 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 60' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -109.52 -175.05 2.65 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.204 -0.453 . . . . 75.21 110.975 179.815 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 61' ' ' LYS . . . . . . . . . . . . . 5.5 mttt -101.94 31.12 4.04 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.276 -0.42 . . . . 51.31 110.921 179.898 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 62' ' ' LEU . . . . . . . . . . . . . 3.4 mp . . . . . 0 C--N 1.329 -0.323 0 CA-C-N 116.161 -0.472 . . . . 64.22 110.926 179.996 . . . . . . . . 0 0 . 1 . 009 nuclear build full ' A' A ' 101' ' ' HLT . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 010 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.23 0.062 0 CA-C-O 120.904 0.383 . . . . 74.23 110.802 . . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -165.25 151.97 10.36 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.177 -0.465 . . . . 73.13 110.921 179.937 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 9.6 mttt -179.33 -38.48 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.249 -0.432 . . . . 73.25 110.91 179.839 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 4.5 mm? -90.4 -35.71 15.02 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.261 -0.427 . . . . 40.22 110.931 179.879 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 3.8 mtt-85 -68.21 -37.93 81.38 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.146 -0.479 . . . . 72.2 110.9 179.962 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 6' ' ' GLU . . . . . 0.408 ' O ' ' HB3' ' A' ' 9' ' ' ALA . 0.4 OUTLIER -53.76 -31.82 50.02 Favored 'General case' 0 C--N 1.331 -0.207 0 CA-C-N 116.152 -0.476 . . . . 60.25 110.898 -179.884 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 45.4 mm-40 -54.0 -42.85 69.52 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.103 -0.499 . . . . 72.2 110.894 -179.926 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -71.84 -26.71 62.48 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.163 -0.471 . . . . 65.33 111.11 179.914 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 9' ' ' ALA . . . . . 0.645 ' HB2' HD13 ' A' ' 59' ' ' LEU . . . -55.71 -49.19 73.7 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.256 -0.429 . . . . 63.02 111.118 179.897 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 20.8 mtpt -55.79 -38.92 70.56 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.173 -0.467 . . . . 64.12 110.913 179.963 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 44.0 mt -51.71 -41.95 61.88 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.192 -0.458 . . . . 75.13 110.913 179.944 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 12' ' ' PHE . . . . . 0.428 ' CG ' HD11 ' A' ' 51' ' ' LEU . 22.2 m-85 -74.26 -26.16 60.05 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.156 -0.475 . . . . 65.15 110.853 179.917 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -58.37 -41.66 85.26 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.201 -0.454 . . . . 64.11 110.933 -179.947 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 7.1 mt-10 -75.14 -27.57 59.82 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.059 -0.518 . . . . 74.24 110.923 -179.97 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 15' ' ' TRP . . . . . . . . . . . . . 1.2 m0 -60.67 -48.54 81.32 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.183 -0.462 . . . . 73.14 110.942 -179.968 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 16' ' ' LYS . . . . . 0.443 ' HB3' ' HB1' ' A' ' 48' ' ' ALA . 16.0 ptmt -77.02 -28.04 54.81 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.247 -0.433 . . . . 62.44 110.939 179.909 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 8.0 ttmm -69.83 -51.81 30.38 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.166 -0.47 . . . . 74.33 110.953 179.81 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 18' ' ' LEU . . . . . 0.536 HD13 'BR ' ' A' ' 101' ' ' HLT . 12.0 mt -54.81 -35.94 64.42 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.227 -0.442 . . . . 71.04 110.972 179.885 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -66.77 -23.37 66.07 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.19 -0.459 . . . . 63.32 111.082 179.8 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 2.1 tp10 -73.02 -49.37 29.21 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.225 -0.443 . . . . 72.24 110.952 179.998 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 21.3 mt-10 -72.3 -51.0 22.79 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.1 -0.5 . . . . 74.11 110.925 -179.945 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -54.67 -30.6 55.93 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.142 -0.481 . . . . 52.32 111.132 179.93 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -71.04 -54.33 11.54 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.239 -0.437 . . . . 61.41 111.094 179.87 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 6.3 ptmt -63.48 -34.29 77.45 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.232 -0.44 . . . . 75.44 110.859 -179.972 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 6.0 mt -76.75 -39.11 52.83 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.238 -0.437 . . . . 74.23 110.88 179.939 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 2.2 mt -50.75 -49.9 56.91 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.254 -0.43 . . . . 75.12 110.927 179.842 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -90.63 12.2 19.68 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.178 -0.465 . . . . 74.05 110.922 179.9 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . -58.89 -14.72 24.77 Favored Glycine 0 N--CA 1.451 -0.307 0 C-N-CA 120.738 -0.744 . . . . 74.44 112.501 -179.954 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . 140.07 48.24 0.06 OUTLIER Glycine 0 N--CA 1.451 -0.344 0 C-N-CA 120.72 -0.752 . . . . 42.23 112.462 -179.92 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . -79.59 -43.28 10.4 Favored Glycine 0 N--CA 1.451 -0.316 0 C-N-CA 120.767 -0.73 . . . . 54.25 112.485 -179.919 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . 98.52 127.97 5.99 Favored Glycine 0 N--CA 1.452 -0.267 0 C-N-CA 120.703 -0.761 . . . . 55.4 112.461 -179.902 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . 153.57 -129.9 2.81 Favored Glycine 0 N--CA 1.452 -0.293 0 C-N-CA 120.756 -0.735 . . . . 34.12 112.486 -179.979 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . 167.94 72.3 0.03 OUTLIER Glycine 0 N--CA 1.45 -0.39 0 C-N-CA 120.676 -0.773 . . . . 63.45 112.491 -179.919 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . -120.54 89.49 0.45 Allowed Glycine 0 N--CA 1.452 -0.267 0 C-N-CA 120.74 -0.743 . . . . 72.11 112.493 -179.892 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . -52.59 -81.72 0.05 OUTLIER Glycine 0 N--CA 1.452 -0.29 0 C-N-CA 120.681 -0.771 . . . . 64.3 112.498 -179.923 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 28.2 tt0 -63.11 -21.49 66.22 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.857 0.361 . . . . 72.21 110.896 -179.882 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 16.1 tp -50.9 -36.14 36.66 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.128 -0.487 . . . . 71.25 110.911 179.952 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 38' ' ' MET . . . . . . . . . . . . . 1.0 OUTLIER -72.65 -35.02 67.65 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.219 -0.446 . . . . 71.45 110.827 179.889 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 2.2 tttt -58.5 -28.0 65.0 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.189 -0.46 . . . . 74.12 110.909 179.96 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 40' ' ' LEU . . . . . 0.549 HD13 ' CB ' ' B' ' 51' ' ' LEU . 2.8 mt -59.95 -61.14 2.83 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.234 -0.439 . . . . 51.23 110.9 179.913 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 41' ' ' CYS . . . . . . . . . . . . . 28.1 p -69.06 -31.3 69.97 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.198 -0.456 . . . . 64.2 110.843 179.974 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 11.2 tt0 -55.93 -25.48 43.41 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.236 -0.438 . . . . 73.42 110.891 -179.874 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 2.5 mm-40 -54.54 -29.3 50.44 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.182 -0.463 . . . . 75.12 110.877 -179.906 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -51.75 -43.79 63.08 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.164 -0.471 . . . . 71.44 111.134 179.927 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -75.09 -23.1 57.94 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.205 -0.452 . . . . 72.33 111.094 179.898 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -77.02 -50.36 13.29 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.256 -0.429 . . . . 74.41 110.974 179.924 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 9.4 mmtm -69.36 -46.86 65.96 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.18 -0.464 . . . . 41.54 110.874 179.869 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 48' ' ' ALA . . . . . 0.443 ' HB1' ' HB3' ' A' ' 16' ' ' LYS . . . -51.97 -47.11 64.98 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.258 -0.428 . . . . 73.45 111.186 179.755 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -77.14 -32.46 56.38 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.119 -0.491 . . . . 73.41 110.902 -179.932 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 1.1 mm-40 -62.69 -51.12 68.44 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.176 -0.466 . . . . 75.11 110.944 -179.98 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 51' ' ' LEU . . . . . 0.525 ' HA ' HD13 ' B' ' 40' ' ' LEU . 3.9 pp -72.2 -39.88 68.28 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.143 -0.48 . . . . 72.32 110.968 179.993 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 52' ' ' PHE . . . . . 0.452 ' N ' HD12 ' A' ' 51' ' ' LEU . 76.6 t80 -62.49 -24.14 67.31 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.18 -0.464 . . . . 72.41 110.893 179.96 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 2.0 tptm -63.8 -59.38 4.63 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.162 -0.472 . . . . 74.34 110.853 179.942 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 54' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -75.73 -32.72 60.15 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.242 -0.436 . . . . 74.45 110.882 179.956 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -52.78 -41.08 63.78 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.202 -0.454 . . . . 70.35 111.053 179.795 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 8.8 pt-20 -54.72 -26.75 35.86 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.238 -0.437 . . . . 75.34 110.869 -179.871 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 6.0 tt0 -66.25 -55.36 16.5 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.132 -0.485 . . . . 70.14 110.966 -179.992 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -78.21 -14.27 59.52 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.11 -0.496 . . . . 73.4 110.871 -179.917 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 59' ' ' LEU . . . . . 0.645 HD13 ' HB2' ' A' ' 9' ' ' ALA . 68.0 mt -87.31 -66.33 0.92 Allowed 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.239 -0.437 . . . . 72.43 110.979 179.976 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -124.45 -81.2 0.63 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.165 -0.47 . . . . 74.21 110.973 179.772 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER 177.03 -57.56 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.239 -0.437 . . . . 72.44 110.89 179.822 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 C--N 1.328 -0.36 0 CA-C-N 116.235 -0.439 . . . . 73.43 110.933 179.949 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 1' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.232 0.158 0 CA-C-O 120.811 0.339 . . . . 75.13 110.919 . . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 2' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -164.93 152.21 11.11 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.232 -0.44 . . . . 64.42 110.921 179.953 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 3' ' ' LYS . . . . . . . . . . . . . 9.5 mttt -179.27 -38.29 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.254 -0.43 . . . . 74.51 110.933 179.86 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 4' ' ' LEU . . . . . . . . . . . . . 4.5 mm? -90.16 -36.18 14.96 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.31 -0.405 . . . . 74.44 110.995 179.838 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 5' ' ' ARG . . . . . . . . . . . . . 3.6 mtt-85 -68.84 -38.69 80.0 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.138 -0.483 . . . . 73.42 110.879 179.9 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 6' ' ' GLU . . . . . 0.404 ' O ' ' HB3' ' B' ' 9' ' ' ALA . 0.3 OUTLIER -53.88 -32.37 53.0 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.239 -0.437 . . . . 73.31 110.874 -179.918 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' B' B ' 7' ' ' GLU . . . . . . . . . . . . . 45.8 mm-40 -54.73 -42.78 71.97 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.141 -0.482 . . . . 74.2 110.867 -179.938 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 8' ' ' ALA . . . . . . . . . . . . . . . -70.41 -26.95 63.92 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.098 -0.501 . . . . 65.23 111.049 -179.996 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 9' ' ' ALA . . . . . 0.642 ' HB2' HD13 ' B' ' 59' ' ' LEU . . . -57.8 -47.37 82.79 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.181 -0.463 . . . . 74.02 111.041 179.976 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 10' ' ' LYS . . . . . . . . . . . . . 21.1 mtpt -55.88 -37.32 68.68 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.267 -0.424 . . . . 72.03 110.929 179.958 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 11' ' ' LEU . . . . . . . . . . . . . 47.2 mt -51.8 -42.63 62.63 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.179 -0.464 . . . . 72.05 110.933 179.952 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 12' ' ' PHE . . . . . . . . . . . . . 23.2 m-85 -74.22 -25.61 59.77 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.19 -0.459 . . . . 72.42 110.9 179.897 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 13' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -53.87 -31.85 51.17 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.179 -0.464 . . . . 74.32 110.925 -179.931 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 14' ' ' GLU . . . . . 0.457 ' O ' HD12 ' B' ' 18' ' ' LEU . 7.0 mt-10 -67.19 -31.44 71.83 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.122 -0.49 . . . . 72.33 110.862 -179.93 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 15' ' ' TRP . . . . . 0.461 ' CD1' ' HB1' ' B' ' 44' ' ' ALA . 4.0 t90 -67.63 -47.0 70.86 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.141 -0.481 . . . . 73.43 110.942 -179.938 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 16' ' ' LYS . . . . . . . . . . . . . 16.1 ptmt -77.39 -30.02 53.46 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.181 -0.463 . . . . 74.41 110.845 179.964 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 17' ' ' LYS . . . . . . . . . . . . . 8.2 ttmm -74.36 -54.93 6.63 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.22 -0.445 . . . . 74.34 110.979 179.819 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 18' ' ' LEU . . . . . 0.457 HD12 ' O ' ' B' ' 14' ' ' GLU . 18.4 mt -54.65 -36.57 64.7 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.224 -0.444 . . . . 65.11 110.897 179.921 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 19' ' ' ALA . . . . . . . . . . . . . . . -67.02 -26.86 66.99 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.174 -0.466 . . . . 63.21 111.085 179.812 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 20' ' ' GLU . . . . . . . . . . . . . 2.1 tp10 -73.47 -49.47 26.64 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.29 -0.414 . . . . 63.14 110.902 -179.97 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 21' ' ' GLU . . . . . . . . . . . . . 21.3 mt-10 -72.64 -51.13 20.8 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.161 -0.472 . . . . 74.32 110.873 -179.886 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 22' ' ' ALA . . . . . . . . . . . . . . . -54.17 -30.79 50.71 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.141 -0.482 . . . . 53.22 111.106 179.914 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 23' ' ' ALA . . . . . . . . . . . . . . . -70.96 -54.39 11.49 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.161 -0.472 . . . . 64.42 111.128 179.949 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 24' ' ' LYS . . . . . . . . . . . . . 6.3 ptmt -63.64 -34.14 77.17 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.178 -0.465 . . . . 75.03 110.96 179.938 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 25' ' ' LEU . . . . . . . . . . . . . 5.7 mt -76.56 -39.67 52.07 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.229 -0.441 . . . . 50.22 110.903 179.933 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 26' ' ' LEU . . . . . 0.687 HD13 ' CE ' ' B' ' 38' ' ' MET . 2.1 mt -50.65 -49.91 55.88 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.222 -0.444 . . . . 72.04 110.929 179.874 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 27' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -90.86 12.32 19.78 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.181 -0.463 . . . . 73.13 110.865 179.91 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 28' ' ' GLY . . . . . . . . . . . . . . . -58.82 -15.09 25.89 Favored Glycine 0 N--CA 1.451 -0.309 0 C-N-CA 120.746 -0.74 . . . . 63.4 112.469 -179.976 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 29' ' ' GLY . . . . . . . . . . . . . . . 136.59 46.08 0.08 OUTLIER Glycine 0 N--CA 1.452 -0.28 0 C-N-CA 120.777 -0.725 . . . . 61.15 112.476 -179.892 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 30' ' ' GLY . . . . . . . . . . . . . . . -83.25 -42.82 7.78 Favored Glycine 0 N--CA 1.452 -0.271 0 C-N-CA 120.75 -0.738 . . . . 42.51 112.43 -179.905 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 31' ' ' GLY . . . . . . . . . . . . . . . 97.99 123.78 4.81 Favored Glycine 0 N--CA 1.452 -0.284 0 C-N-CA 120.766 -0.731 . . . . 75.24 112.529 -179.859 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 32' ' ' GLY . . . . . . . . . . . . . . . 147.08 -110.97 0.54 Allowed Glycine 0 N--CA 1.452 -0.27 0 C-N-CA 120.7 -0.762 . . . . 65.21 112.46 -179.898 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 33' ' ' GLY . . . . . . . . . . . . . . . -166.22 97.22 0.14 Allowed Glycine 0 N--CA 1.451 -0.359 0 C-N-CA 120.704 -0.76 . . . . 53.05 112.498 -179.886 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 34' ' ' GLY . . . . . . . . . . . . . . . -90.27 44.97 2.96 Favored Glycine 0 N--CA 1.452 -0.273 0 C-N-CA 120.726 -0.749 . . . . 74.35 112.523 -179.907 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 35' ' ' GLY . . . . . . . . . . . . . . . -79.18 -102.91 0.23 Allowed Glycine 0 N--CA 1.451 -0.337 0 C-N-CA 120.712 -0.756 . . . . 70.35 112.468 -179.845 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 36' ' ' GLU . . . . . . . . . . . . . 30.4 tt0 -75.73 -24.42 56.14 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 120.901 0.381 . . . . 63.21 110.896 -179.882 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 37' ' ' LEU . . . . . . . . . . . . . 14.6 tp -59.71 -36.67 77.01 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.092 -0.503 . . . . 74.21 110.921 -179.982 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 38' ' ' MET . . . . . 0.687 ' CE ' HD13 ' B' ' 26' ' ' LEU . 1.3 ttm -68.34 -30.0 68.87 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.141 -0.481 . . . . 72.14 110.866 179.857 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 39' ' ' LYS . . . . . . . . . . . . . 2.4 tttt -54.34 -29.33 47.71 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.285 -0.416 . . . . 75.32 110.916 179.926 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 40' ' ' LEU . . . . . 0.525 HD13 ' HA ' ' A' ' 51' ' ' LEU . 2.5 mt -62.08 -60.97 2.83 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.189 -0.46 . . . . 71.52 110.91 179.93 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 41' ' ' CYS . . . . . . . . . . . . . 28.7 p -69.35 -29.36 67.15 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.198 -0.456 . . . . 73.25 110.869 179.917 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 42' ' ' GLU . . . . . . . . . . . . . 11.3 tt0 -56.15 -25.83 47.99 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.18 -0.463 . . . . 52.34 110.807 -179.797 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 43' ' ' GLU . . . . . . . . . . . . . 2.5 mm-40 -54.81 -28.99 53.5 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.193 -0.458 . . . . 62.32 110.842 -179.862 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 44' ' ' ALA . . . . . 0.461 ' HB1' ' CD1' ' B' ' 15' ' ' TRP . . . -51.85 -45.73 64.14 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.143 -0.48 . . . . 62.35 111.098 179.909 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 45' ' ' ALA . . . . . . . . . . . . . . . -75.13 -22.9 57.87 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.209 -0.451 . . . . 65.0 111.104 179.955 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 46' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -75.33 -49.54 18.81 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.229 -0.441 . . . . 74.32 110.905 179.946 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 47' ' ' LYS . . . . . . . . . . . . . 9.4 mmtm -72.67 -46.33 54.37 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.235 -0.438 . . . . 64.51 110.912 179.858 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 48' ' ' ALA . . . . . . . . . . . . . . . -51.96 -46.18 64.67 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.233 -0.44 . . . . 71.22 111.08 179.839 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 49' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -75.88 -29.7 58.58 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.194 -0.457 . . . . 75.22 110.857 -179.933 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 50' ' ' GLU . . . . . . . . . . . . . 1.1 mm-40 -63.25 -51.24 67.0 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.196 -0.456 . . . . 62.13 110.883 -179.895 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 51' ' ' LEU . . . . . 0.549 ' CB ' HD13 ' A' ' 40' ' ' LEU . 3.8 pp -73.27 -38.97 65.76 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.154 -0.475 . . . . 53.52 110.89 -179.967 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 52' ' ' PHE . . . . . 0.437 ' N ' HD12 ' B' ' 51' ' ' LEU . 75.8 t80 -62.95 -24.06 67.69 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.977 0.418 . . . . 72.52 110.893 179.923 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 53' ' ' LYS . . . . . . . . . . . . . 2.0 tptm -62.24 -59.17 5.42 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.155 -0.475 . . . . 72.1 110.896 179.915 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 54' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -75.26 -37.55 60.9 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.225 -0.443 . . . . 74.43 110.928 179.933 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 55' ' ' ALA . . . . . . . . . . . . . . . -56.97 -38.93 73.68 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.192 -0.458 . . . . 64.14 111.038 179.828 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 56' ' ' GLU . . . . . 0.653 ' CD ' HD23 ' B' ' 62' ' ' LEU . 16.3 tt0 -56.82 -24.88 54.16 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.229 -0.441 . . . . 61.3 110.912 -179.934 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 57' ' ' GLU . . . . . . . . . . . . . 6.4 tt0 -66.83 -54.32 23.66 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.109 -0.496 . . . . 71.31 110.904 -179.969 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 58' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -77.29 -18.5 57.48 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.135 -0.484 . . . . 75.34 110.842 -179.897 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 59' ' ' LEU . . . . . 0.642 HD13 ' HB2' ' B' ' 9' ' ' ALA . 62.7 mt -82.41 -50.98 8.28 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.266 -0.425 . . . . 54.41 110.905 -179.987 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 60' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -110.18 -65.8 1.12 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.136 -0.484 . . . . 74.13 110.885 179.839 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 61' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -179.56 -69.21 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.279 -0.419 . . . . 63.55 110.916 179.859 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 62' ' ' LEU . . . . . 0.653 HD23 ' CD ' ' B' ' 56' ' ' GLU . 0.2 OUTLIER . . . . . 0 C--N 1.329 -0.316 0 CA-C-N 116.195 -0.457 . . . . 73.44 110.885 179.929 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 101' ' ' HLT . . . . . 0.536 'BR ' HD13 ' A' ' 18' ' ' LEU . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 4.1 mtt . . . . . 0 C--O 1.232 0.147 0 CA-C-O 120.81 0.338 . . . . 74.14 110.844 . . . . . . . . . 0 0 . 1 . 011 nuclear build full ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -123.5 142.36 51.08 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.236 -0.438 . . . . 72.22 110.834 179.953 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -143.52 -70.37 0.31 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.225 -0.443 . . . . 73.43 110.943 179.836 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 4' ' ' LEU . . . . . 0.444 ' H ' HD23 ' A' ' 4' ' ' LEU . 1.6 pt? -135.77 8.15 3.28 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.212 -0.449 . . . . 64.25 110.901 179.905 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -72.01 -33.97 68.49 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.18 -0.464 . . . . 74.25 110.901 179.967 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 18.0 pt-20 -55.25 -26.02 37.17 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.18 -0.463 . . . . 73.21 110.877 -179.948 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 2.0 pp20? -53.47 -31.5 46.0 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.096 -0.502 . . . . 71.13 110.931 -179.888 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -72.45 -28.42 62.92 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.127 -0.488 . . . . 71.25 111.049 179.897 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 9' ' ' ALA . . . . . 0.619 ' HB1' ' CE1' ' A' ' 52' ' ' PHE . . . -71.57 -41.57 68.86 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.324 -0.398 . . . . 63.43 111.102 179.923 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -58.08 -35.68 71.73 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.232 -0.44 . . . . 64.31 110.891 179.962 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 11' ' ' LEU . . . . . 0.431 HD12 ' CD2' ' B' ' 26' ' ' LEU . 41.6 mt -51.97 -44.11 63.85 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.199 -0.455 . . . . 73.34 110.901 179.945 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 22.4 m-85 -74.03 -22.14 59.68 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.208 -0.451 . . . . 64.34 110.854 179.913 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 5.1 tt0 -61.61 -41.26 97.21 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.157 -0.474 . . . . 63.53 110.88 -179.936 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 14' ' ' GLU . . . . . 0.407 ' O ' HD12 ' A' ' 18' ' ' LEU . 4.6 mt-10 -75.51 -30.46 59.81 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.109 -0.496 . . . . 72.2 110.934 -179.918 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 15' ' ' TRP . . . . . 0.424 ' HZ2' ' HB3' ' B' ' 22' ' ' ALA . 21.3 m0 -54.01 -56.11 21.02 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.105 -0.498 . . . . 74.32 110.9 -179.973 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 16' ' ' LYS . . . . . 0.575 ' HB3' ' HB3' ' A' ' 48' ' ' ALA . 8.3 ptmt -68.47 -41.36 80.28 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.3 -0.409 . . . . 52.44 110.94 179.918 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -54.95 -52.07 64.17 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.215 -0.448 . . . . 50.12 110.87 179.874 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 18' ' ' LEU . . . . . 0.407 HD12 ' O ' ' A' ' 14' ' ' GLU . 5.6 mt -59.99 -35.13 74.35 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.266 -0.425 . . . . 73.44 110.953 179.937 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 19' ' ' ALA . . . . . 0.464 ' HB2' ' F2 ' ' A' ' 101' ' ' HLT . . . -73.15 -30.24 63.44 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.136 -0.484 . . . . 74.52 111.055 179.82 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 1.4 mm-40 -58.1 -49.48 76.8 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.211 -0.45 . . . . 53.32 110.896 -179.899 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 1.3 mm-40 -74.23 -48.54 28.12 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.165 -0.471 . . . . 62.32 110.823 -179.898 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 22' ' ' ALA . . . . . 0.458 ' HB3' ' HZ2' ' B' ' 15' ' ' TRP . . . -56.71 -30.58 63.64 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.178 -0.464 . . . . 75.53 111.136 179.93 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -70.77 -54.41 11.79 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.217 -0.447 . . . . 74.01 111.086 179.978 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 4.2 ptmt -62.49 -35.55 79.7 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.228 -0.442 . . . . 74.15 110.861 -179.988 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 25' ' ' LEU . . . . . 0.407 HD23 ' HA ' ' A' ' 25' ' ' LEU . 7.2 mt -76.89 -36.71 56.5 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.206 -0.452 . . . . 65.41 110.834 179.988 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 26' ' ' LEU . . . . . 0.724 HD23 ' HB1' ' B' ' 8' ' ' ALA . 0.8 OUTLIER -50.24 -55.32 15.79 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.258 -0.428 . . . . 60.34 110.85 179.946 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 1.6 pt-20 -82.15 -7.82 59.63 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.273 -0.421 . . . . 72.21 110.82 -179.997 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . 54.74 24.38 32.78 Favored Glycine 0 N--CA 1.452 -0.281 0 C-N-CA 120.735 -0.745 . . . . 61.03 112.461 179.966 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . 94.32 12.59 55.94 Favored Glycine 0 N--CA 1.45 -0.407 0 C-N-CA 120.726 -0.75 . . . . 64.14 112.522 -179.884 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . -137.54 -116.11 1.45 Allowed Glycine 0 N--CA 1.451 -0.326 0 C-N-CA 120.796 -0.716 . . . . 63.12 112.524 -179.956 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . 76.62 116.48 0.14 Allowed Glycine 0 N--CA 1.452 -0.285 0 C-N-CA 120.73 -0.748 . . . . 72.14 112.483 -179.897 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . 51.87 48.48 51.11 Favored Glycine 0 N--CA 1.452 -0.291 0 C-N-CA 120.807 -0.711 . . . . 72.54 112.458 -179.916 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . 79.37 -57.51 4.42 Favored Glycine 0 N--CA 1.451 -0.335 0 C-N-CA 120.739 -0.743 . . . . 75.3 112.423 -179.955 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . -123.43 -53.52 0.2 Allowed Glycine 0 N--CA 1.451 -0.365 0 C-N-CA 120.778 -0.725 . . . . 64.42 112.467 -179.894 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 168.95 34.56 0.02 OUTLIER Glycine 0 N--CA 1.452 -0.281 0 C-N-CA 120.683 -0.77 . . . . 54.0 112.458 -179.834 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 26.2 tt0 -76.66 -27.96 55.81 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 120.848 0.356 . . . . 63.44 110.892 -179.88 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 3.4 mt -77.22 -59.04 2.94 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.179 -0.464 . . . . 63.44 110.918 179.992 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 38' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -55.07 -26.82 40.34 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.169 -0.469 . . . . 75.32 110.921 179.793 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -57.11 -28.16 62.43 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.191 -0.458 . . . . 74.23 110.906 179.923 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 3.3 mt -74.37 -43.53 56.1 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 116.223 -0.444 . . . . 71.21 110.889 179.923 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 41' ' ' CYS . . . . . . . . . . . . . 17.9 m -75.02 -27.96 60.29 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.224 -0.444 . . . . 71.54 110.884 179.917 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 70.5 tt0 -55.57 -25.51 38.43 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.15 -0.477 . . . . 62.21 110.934 -179.877 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 3.7 mm-40 -54.58 -28.6 47.26 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.122 -0.49 . . . . 75.2 110.872 -179.972 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -52.03 -44.93 64.44 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.187 -0.46 . . . . 70.01 111.113 179.908 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 45' ' ' ALA . . . . . 0.432 ' HB2' ' HB3' ' A' ' 19' ' ' ALA . . . -75.25 -24.64 57.67 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.239 -0.437 . . . . 73.03 111.114 179.914 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -73.94 -48.44 30.56 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.228 -0.442 . . . . 75.51 110.892 179.996 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 4.8 mttm -57.26 -36.76 71.37 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.159 -0.473 . . . . 72.22 110.9 179.909 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 48' ' ' ALA . . . . . 0.575 ' HB3' ' HB3' ' A' ' 16' ' ' LYS . . . -58.44 -36.73 74.11 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.207 -0.451 . . . . 72.43 111.129 179.794 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 17.2 tt0 -76.88 -36.19 56.91 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.31 -0.404 . . . . 73.2 110.901 -179.985 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 1.8 mm-40 -69.44 -45.28 69.51 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.097 -0.501 . . . . 75.05 110.901 -179.885 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 51' ' ' LEU . . . . . 0.487 HD13 ' HB3' ' B' ' 41' ' ' CYS . 4.5 pp -72.39 -23.73 61.15 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.18 -0.464 . . . . 73.02 110.945 179.95 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 52' ' ' PHE . . . . . 0.619 ' CE1' ' HB1' ' A' ' 9' ' ' ALA . 90.1 t80 -56.44 -23.93 41.97 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.235 -0.438 . . . . 75.21 110.869 179.945 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -52.2 -42.82 63.82 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.174 -0.467 . . . . 63.52 110.904 179.926 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 54' ' ' LEU . . . . . . . . . . . . . 62.5 mt -64.17 -29.03 70.17 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.199 -0.455 . . . . 75.24 110.854 179.983 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 55' ' ' ALA . . . . . 0.534 ' HB1' ' HB2' ' A' ' 9' ' ' ALA . . . -55.39 -29.12 57.89 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.239 -0.437 . . . . 34.11 111.102 179.786 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 3.9 mt-10 -77.66 -24.74 49.34 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.255 -0.43 . . . . 75.55 110.846 -179.861 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 25.8 mm-40 -63.28 -47.63 81.54 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.179 -0.464 . . . . 72.43 110.812 -179.924 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 58' ' ' ARG . . . . . 0.4 ' HD2' ' HA ' ' A' ' 55' ' ' ALA . 0.0 OUTLIER -79.05 -22.19 45.72 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.173 -0.467 . . . . 72.42 110.877 -179.892 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 59' ' ' LEU . . . . . . . . . . . . . 2.0 tt -84.15 -69.02 0.67 Allowed 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.236 -0.438 . . . . 74.24 110.926 -179.998 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -112.73 -175.98 2.8 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.172 -0.467 . . . . 74.12 110.936 179.827 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 1.9 pttt -91.35 -31.04 16.22 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.289 -0.414 . . . . 75.14 110.902 179.862 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER . . . . . 0 C--N 1.328 -0.343 0 CA-C-N 116.228 -0.442 . . . . 71.13 110.905 179.92 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 1' ' ' MET . . . . . . . . . . . . . 4.1 mtt . . . . . 0 C--O 1.231 0.122 0 CA-C-O 120.83 0.348 . . . . 63.32 110.911 . . . . . . . . . 0 0 . 1 . 011 nuclear build full ' B' B ' 2' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -123.18 143.47 50.0 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.199 -0.455 . . . . 70.02 110.943 179.922 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 3' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -142.45 -70.84 0.33 Allowed 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.231 -0.441 . . . . 71.31 110.917 179.84 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 4' ' ' LEU . . . . . 0.449 ' H ' HD23 ' B' ' 4' ' ' LEU . 1.7 pt? -134.82 7.38 3.48 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.294 -0.412 . . . . 65.53 110.907 179.909 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 5' ' ' ARG . . . . . . . . . . . . . 2.5 mtt-85 -70.45 -31.93 69.3 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.175 -0.466 . . . . 74.53 110.896 179.959 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 6' ' ' GLU . . . . . . . . . . . . . 19.9 pt-20 -51.8 -26.62 10.13 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.125 -0.488 . . . . 65.54 110.892 -179.936 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 7' ' ' GLU . . . . . . . . . . . . . 2.5 pp20? -53.14 -33.37 52.12 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.162 -0.472 . . . . 61.41 110.853 -179.936 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 8' ' ' ALA . . . . . 0.724 ' HB1' HD23 ' A' ' 26' ' ' LEU . . . -76.7 -26.92 55.23 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.149 -0.478 . . . . 72.42 111.144 179.902 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 9' ' ' ALA . . . . . 0.985 ' HB2' HD13 ' B' ' 59' ' ' LEU . . . -60.69 -44.23 96.77 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.224 -0.444 . . . . 73.1 111.096 179.911 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 10' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -55.64 -37.03 67.66 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.238 -0.437 . . . . 72.42 110.909 179.986 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 11' ' ' LEU . . . . . 0.466 HD12 ' HG ' ' A' ' 26' ' ' LEU . 25.4 mt -52.75 -42.83 65.32 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.181 -0.463 . . . . 73.34 110.867 179.925 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 12' ' ' PHE . . . . . 0.418 ' CE1' HD11 ' A' ' 26' ' ' LEU . 24.5 m-85 -71.99 -23.53 61.43 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.232 -0.44 . . . . 72.24 110.916 179.952 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 13' ' ' GLU . . . . . . . . . . . . . 5.1 tt0 -60.93 -40.38 93.02 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.104 -0.498 . . . . 62.44 110.882 -179.958 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 14' ' ' GLU . . . . . . . . . . . . . 4.6 mt-10 -75.62 -31.49 59.91 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.139 -0.482 . . . . 62.31 110.928 -179.927 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 15' ' ' TRP . . . . . 0.458 ' HZ2' ' HB3' ' A' ' 22' ' ' ALA . 18.1 m0 -54.0 -56.06 21.41 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.082 -0.508 . . . . 74.03 110.871 -179.897 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 16' ' ' LYS . . . . . . . . . . . . . 8.3 ptmt -67.71 -39.75 84.33 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.307 -0.406 . . . . 70.11 110.93 179.885 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 17' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -56.54 -50.55 71.53 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.244 -0.435 . . . . 73.32 110.838 179.933 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 18' ' ' LEU . . . . . . . . . . . . . 5.4 mt -56.09 -38.28 70.5 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.249 -0.432 . . . . 72.13 110.945 179.894 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 19' ' ' ALA . . . . . 0.652 ' CB ' ' HB2' ' B' ' 45' ' ' ALA . . . -73.1 -32.33 64.9 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.256 -0.429 . . . . 53.04 111.118 179.755 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 20' ' ' GLU . . . . . . . . . . . . . 1.4 mm-40 -58.12 -49.31 77.42 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.223 -0.444 . . . . 73.32 110.883 -179.968 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 21' ' ' GLU . . . . . . . . . . . . . 1.3 mm-40 -74.23 -48.64 27.53 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.122 -0.49 . . . . 63.22 110.853 -179.851 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 22' ' ' ALA . . . . . 0.429 ' O ' HD12 ' B' ' 26' ' ' LEU . . . -56.57 -30.94 63.73 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.173 -0.467 . . . . 73.31 111.153 179.872 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 23' ' ' ALA . . . . . . . . . . . . . . . -71.19 -54.44 10.98 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.161 -0.472 . . . . 73.55 111.043 179.978 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 24' ' ' LYS . . . . . . . . . . . . . 4.3 ptmt -62.17 -35.42 78.77 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.258 -0.428 . . . . 42.33 110.869 -179.989 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 25' ' ' LEU . . . . . 0.421 HD23 ' HA ' ' B' ' 25' ' ' LEU . 6.9 mt -76.82 -38.15 54.42 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.267 -0.424 . . . . 74.41 110.912 179.965 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 26' ' ' LEU . . . . . 0.483 HD13 ' HG3' ' B' ' 38' ' ' MET . 1.0 OUTLIER -50.18 -51.61 42.42 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.231 -0.44 . . . . 72.51 110.886 179.845 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' B' B ' 27' ' ' GLU . . . . . . . . . . . . . 1.6 pt-20 -81.31 -13.94 57.87 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.241 -0.436 . . . . 73.23 110.867 179.951 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 28' ' ' GLY . . . . . . . . . . . . . . . 53.14 26.15 27.3 Favored Glycine 0 N--CA 1.45 -0.376 0 C-N-CA 120.789 -0.72 . . . . 62.34 112.44 179.998 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 29' ' ' GLY . . . . . . . . . . . . . . . 92.23 42.24 4.67 Favored Glycine 0 N--CA 1.452 -0.288 0 C-N-CA 120.71 -0.757 . . . . 62.15 112.429 -179.978 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 30' ' ' GLY . . . . . . . . . . . . . . . -105.84 -110.4 3.49 Favored Glycine 0 N--CA 1.452 -0.281 0 C-N-CA 120.688 -0.767 . . . . 44.14 112.457 -179.904 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 31' ' ' GLY . . . . . . . . . . . . . . . 89.08 131.86 4.25 Favored Glycine 0 N--CA 1.452 -0.291 0 C-N-CA 120.76 -0.733 . . . . 53.11 112.44 -179.891 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 32' ' ' GLY . . . . . . . . . . . . . . . 63.19 76.37 0.28 Allowed Glycine 0 N--CA 1.452 -0.276 0 C-N-CA 120.705 -0.76 . . . . 72.42 112.453 -179.96 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 33' ' ' GLY . . . . . . . . . . . . . . . 99.74 -35.23 4.88 Favored Glycine 0 N--CA 1.451 -0.347 0 C-N-CA 120.773 -0.727 . . . . 63.53 112.56 -179.934 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 34' ' ' GLY . . . . . . . . . . . . . . . -105.98 -18.97 10.62 Favored Glycine 0 N--CA 1.451 -0.308 0 C-N-CA 120.738 -0.744 . . . . 61.13 112.436 -179.923 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 35' ' ' GLY . . . . . . . . . . . . . . . -160.22 25.41 0.3 Allowed Glycine 0 N--CA 1.451 -0.33 0 C-N-CA 120.662 -0.78 . . . . 73.42 112.434 -179.923 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 36' ' ' GLU . . . . . . . . . . . . . 21.4 tt0 -76.15 -21.46 56.55 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 120.872 0.368 . . . . 75.14 110.9 -179.895 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 37' ' ' LEU . . . . . . . . . . . . . 1.6 mt -71.45 -51.57 23.12 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.137 -0.483 . . . . 64.35 110.944 179.932 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 38' ' ' MET . . . . . 0.483 ' HG3' HD13 ' B' ' 26' ' ' LEU . 0.0 OUTLIER -54.97 -24.6 24.78 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.19 -0.459 . . . . 74.33 110.839 179.848 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' B' B ' 39' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -53.42 -28.81 31.85 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.273 -0.421 . . . . 71.24 110.882 179.982 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 40' ' ' LEU . . . . . . . . . . . . . 3.3 mt -74.08 -35.53 64.23 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.182 -0.463 . . . . 71.01 110.842 -179.994 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 41' ' ' CYS . . . . . 0.487 ' HB3' HD13 ' A' ' 51' ' ' LEU . 16.4 m -75.2 -33.6 61.43 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.212 -0.449 . . . . 61.21 110.832 -179.984 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 42' ' ' GLU . . . . . . . . . . . . . 70.5 tt0 -55.52 -25.94 40.25 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.24 -0.436 . . . . 65.25 110.871 -179.896 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 43' ' ' GLU . . . . . . . . . . . . . 3.8 mm-40 -54.96 -25.64 31.02 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.192 -0.458 . . . . 72.21 110.866 -179.938 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 44' ' ' ALA . . . . . . . . . . . . . . . -51.87 -43.66 63.38 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.146 -0.479 . . . . 55.34 111.119 179.971 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 45' ' ' ALA . . . . . 0.652 ' HB2' ' CB ' ' B' ' 19' ' ' ALA . . . -75.09 -22.89 57.99 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.263 -0.426 . . . . 64.43 111.055 179.95 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 46' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -70.19 -47.19 62.59 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.231 -0.441 . . . . 72.31 110.905 179.941 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 47' ' ' LYS . . . . . . . . . . . . . 4.8 mttm -58.28 -37.31 74.74 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.227 -0.442 . . . . 62.02 110.911 179.912 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 48' ' ' ALA . . . . . . . . . . . . . . . -56.53 -34.16 66.76 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.229 -0.442 . . . . 50.32 111.107 179.796 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 49' ' ' GLU . . . . . . . . . . . . . 17.2 tt0 -76.36 -31.33 58.0 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.167 -0.469 . . . . 71.21 110.897 -179.948 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 50' ' ' GLU . . . . . . . . . . . . . 1.8 mm-40 -65.56 -46.46 79.4 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.188 -0.46 . . . . 73.33 110.955 -179.968 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 51' ' ' LEU . . . . . 0.528 HD12 ' N ' ' B' ' 52' ' ' PHE . 4.6 pp -73.07 -29.81 63.22 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.081 -0.509 . . . . 53.11 110.912 179.982 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 52' ' ' PHE . . . . . 0.528 ' N ' HD12 ' B' ' 51' ' ' LEU . 89.1 t80 -65.2 -23.9 67.21 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.222 -0.444 . . . . 64.31 110.855 179.987 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 53' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -51.66 -58.83 5.25 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.136 -0.484 . . . . 74.13 110.933 179.959 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 54' ' ' LEU . . . . . . . . . . . . . 70.4 mt -75.11 -24.41 58.08 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.166 -0.47 . . . . 73.23 110.873 179.934 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 55' ' ' ALA . . . . . . . . . . . . . . . -58.04 -24.86 60.05 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.297 -0.411 . . . . 52.24 111.106 179.805 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 56' ' ' GLU . . . . . . . . . . . . . 3.3 mt-10 -75.81 -26.41 57.23 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.145 -0.479 . . . . 74.44 110.909 -179.969 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 57' ' ' GLU . . . . . . . . . . . . . 25.4 mm-40 -65.12 -49.65 69.12 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.154 -0.475 . . . . 75.22 110.936 -179.923 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 58' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -78.9 -17.94 54.7 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.226 -0.443 . . . . 53.22 110.834 -179.918 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 59' ' ' LEU . . . . . 0.985 HD13 ' HB2' ' B' ' 9' ' ' ALA . 20.5 mt -88.5 -74.99 0.44 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.177 -0.465 . . . . 74.51 110.947 -179.941 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 60' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -105.35 -175.41 2.79 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.158 -0.473 . . . . 74.21 110.908 179.795 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 61' ' ' LYS . . . . . . . . . . . . . 1.9 pttt -90.04 -31.42 17.18 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.24 -0.436 . . . . 72.24 110.877 179.853 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 62' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER . . . . . 0 C--N 1.328 -0.339 0 CA-C-N 116.267 -0.424 . . . . 64.42 110.827 179.885 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 101' ' ' HLT . . . . . 0.464 ' F2 ' ' HB2' ' A' ' 19' ' ' ALA . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 C--O 1.232 0.164 0 CA-C-O 120.854 0.359 . . . . 73.34 110.921 . . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 3.3 tptt -174.11 158.68 3.1 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.283 -0.417 . . . . 75.02 110.924 179.891 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 7.4 mttp -140.57 -40.72 0.41 Allowed 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.17 -0.468 . . . . 74.04 110.951 179.881 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 4.4 mm? -64.92 -47.28 78.31 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.194 -0.457 . . . . 75.13 110.877 179.921 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 3.8 mtp180 -72.2 -40.7 67.65 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.202 -0.453 . . . . 74.44 110.865 179.963 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 6' ' ' GLU . . . . . 0.533 ' CA ' HD13 ' A' ' 59' ' ' LEU . 5.0 tt0 -54.27 -29.39 46.91 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.177 -0.465 . . . . 64.33 110.901 -179.911 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 1.2 mm-40 -53.86 -45.97 71.12 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.081 -0.509 . . . . 70.03 110.86 -179.915 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -58.76 -28.23 65.7 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.141 -0.481 . . . . 75.43 111.112 179.948 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -74.25 -42.78 59.13 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.204 -0.453 . . . . 70.43 111.138 179.915 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 7.1 mtpt -58.3 -32.86 68.86 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.187 -0.46 . . . . 64.33 110.898 179.914 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 11' ' ' LEU . . . . . 0.41 HD12 HD23 ' B' ' 26' ' ' LEU . 72.9 mt -52.04 -43.32 63.69 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.227 -0.442 . . . . 71.31 110.923 179.937 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 12' ' ' PHE . . . . . 0.594 ' CE1' HD11 ' B' ' 26' ' ' LEU . 24.5 m-85 -74.19 -26.28 60.18 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.19 -0.459 . . . . 71.13 110.894 179.916 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 1.1 tt0 -59.51 -35.3 73.89 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.108 -0.496 . . . . 50.01 110.911 -179.957 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 4.9 mt-10 -74.93 -30.23 61.19 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.092 -0.504 . . . . 74.04 110.897 -179.906 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 15' ' ' TRP . . . . . . . . . . . . . 12.4 m0 -61.95 -50.73 70.96 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.154 -0.476 . . . . 73.32 110.882 -179.918 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -75.06 -24.73 58.26 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.198 -0.455 . . . . 73.04 110.918 179.903 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 8.5 mmtp -73.12 -56.77 4.66 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.242 -0.435 . . . . 62.21 110.859 179.917 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 12.1 mt -54.91 -39.45 68.79 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.237 -0.438 . . . . 75.14 110.891 179.95 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 19' ' ' ALA . . . . . 0.894 ' HB3' ' HB2' ' A' ' 45' ' ' ALA . . . -57.47 -23.18 48.33 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.174 -0.466 . . . . 74.51 111.107 179.784 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -73.19 -49.3 28.81 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.245 -0.434 . . . . 63.02 110.869 -179.896 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 1.4 mm-40 -73.53 -50.23 22.46 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.204 -0.453 . . . . 61.32 110.867 -179.918 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -54.85 -30.52 57.82 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.163 -0.471 . . . . 73.33 111.09 179.957 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -71.0 -54.22 12.0 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.2 -0.454 . . . . 73.22 111.103 179.944 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 4.9 ptpt -63.67 -34.29 77.53 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.237 -0.438 . . . . 74.34 110.919 179.976 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 25' ' ' LEU . . . . . 0.438 HD23 ' HA ' ' A' ' 25' ' ' LEU . 5.9 mt -76.66 -38.92 53.75 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.24 -0.436 . . . . 74.14 110.886 179.949 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 26' ' ' LEU . . . . . 0.568 HD11 ' CE1' ' B' ' 12' ' ' PHE . 4.9 mt -50.43 -51.91 42.43 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.174 -0.467 . . . . 74.4 110.939 179.854 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 9.6 mt-10 -78.99 -11.79 60.02 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.148 -0.478 . . . . 70.52 110.899 179.94 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . 64.29 20.58 65.43 Favored Glycine 0 N--CA 1.452 -0.283 0 C-N-CA 120.746 -0.74 . . . . 51.31 112.51 -179.933 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . 61.0 19.47 56.75 Favored Glycine 0 N--CA 1.452 -0.274 0 C-N-CA 120.718 -0.753 . . . . 75.31 112.513 -179.913 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . 141.62 55.45 0.04 OUTLIER Glycine 0 N--CA 1.452 -0.285 0 C-N-CA 120.787 -0.721 . . . . 61.24 112.497 -179.951 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . -156.24 175.61 33.88 Favored Glycine 0 N--CA 1.45 -0.381 0 C-N-CA 120.743 -0.742 . . . . 54.31 112.518 -179.907 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . 52.18 -152.53 6.61 Favored Glycine 0 N--CA 1.451 -0.31 0 C-N-CA 120.706 -0.759 . . . . 72.33 112.469 -179.975 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -64.2 -65.99 2.73 Favored Glycine 0 N--CA 1.451 -0.343 0 C-N-CA 120.764 -0.731 . . . . 32.32 112.546 -179.963 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 66.16 149.71 0.1 OUTLIER Glycine 0 N--CA 1.452 -0.28 0 C-N-CA 120.734 -0.746 . . . . 43.2 112.448 -179.936 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 129.31 -155.75 20.95 Favored Glycine 0 N--CA 1.451 -0.331 0 C-N-CA 120.697 -0.763 . . . . 21.23 112.476 -179.945 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 30.3 tt0 -64.34 -29.74 70.81 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.898 0.38 . . . . 73.52 110.86 -179.904 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 37' ' ' LEU . . . . . 0.541 HD13 HH12 ' B' ' 58' ' ' ARG . 2.1 pp -51.94 -35.4 45.79 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.138 -0.483 . . . . 72.21 110.922 -179.974 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 38' ' ' MET . . . . . . . . . . . . . 2.6 ttp -73.13 -35.2 66.48 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.173 -0.467 . . . . 73.22 110.883 179.903 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 29.4 tttt -53.9 -30.58 46.72 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.18 -0.463 . . . . 50.41 110.89 179.921 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -53.79 -57.7 9.91 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.235 -0.438 . . . . 73.11 110.891 179.932 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 41' ' ' CYS . . . . . . . . . . . . . 31.7 m -64.29 -35.21 80.12 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.245 -0.434 . . . . 75.11 110.879 179.917 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 28.7 tt0 -55.65 -26.28 43.64 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 116.224 -0.444 . . . . 74.11 110.927 -179.894 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 3.5 mm-40 -55.5 -26.16 41.25 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.097 -0.502 . . . . 65.04 110.892 -179.877 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -52.84 -45.51 67.37 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.188 -0.46 . . . . 51.01 111.101 179.95 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 45' ' ' ALA . . . . . 0.894 ' HB2' ' HB3' ' A' ' 19' ' ' ALA . . . -75.27 -23.12 57.39 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.254 -0.43 . . . . 53.3 111.096 179.965 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -74.93 -48.57 23.84 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.163 -0.472 . . . . 74.25 110.943 179.903 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 13.5 mttt -73.91 -51.28 16.64 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.212 -0.449 . . . . 71.34 110.873 179.884 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -52.55 -28.41 20.68 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.279 -0.419 . . . . 74.01 111.119 179.804 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 1.6 tt0 -77.19 -36.19 55.13 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.224 -0.444 . . . . 73.52 110.888 -179.93 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 2.5 mt-10 -74.78 -52.78 10.55 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.18 -0.464 . . . . 72.04 110.903 -179.971 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 51' ' ' LEU . . . . . 0.425 ' C ' HD12 ' A' ' 51' ' ' LEU . 4.6 pp -61.69 -19.54 62.46 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.116 -0.493 . . . . 71.1 110.855 -179.947 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 52' ' ' PHE . . . . . . . . . . . . . 18.7 t80 -52.35 -23.58 6.14 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.204 -0.453 . . . . 72.0 110.867 179.989 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 1.2 ptpm? -52.82 -40.16 63.06 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.213 -0.449 . . . . 72.21 110.923 179.963 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 54' ' ' LEU . . . . . . . . . . . . . 4.9 tp -55.52 -22.05 19.57 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.219 -0.446 . . . . 72.12 110.85 179.962 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -68.03 -24.64 65.12 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.247 -0.433 . . . . 65.24 111.156 179.783 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 56' ' ' GLU . . . . . 0.528 ' OE1' HD11 ' A' ' 62' ' ' LEU . 1.3 mt-10 -76.43 -27.07 56.1 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.197 -0.456 . . . . 64.42 110.836 -179.926 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 3.9 mm-40 -62.84 -49.66 74.03 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.195 -0.457 . . . . 70.42 110.883 -179.934 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 58' ' ' ARG . . . . . 0.548 HH12 HD13 ' B' ' 37' ' ' LEU . 0.0 OUTLIER -78.88 -18.9 53.16 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.192 -0.458 . . . . 74.45 110.833 -179.862 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 59' ' ' LEU . . . . . 0.533 HD13 ' CA ' ' A' ' 6' ' ' GLU . 23.5 tp -87.77 -77.54 0.34 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.154 -0.476 . . . . 70.25 110.956 179.944 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -101.12 -175.35 2.85 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.183 -0.462 . . . . 73.35 110.957 179.792 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -120.42 69.28 0.86 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.238 -0.437 . . . . 74.45 110.865 179.865 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 62' ' ' LEU . . . . . 0.528 HD11 ' OE1' ' A' ' 56' ' ' GLU . 71.5 mt . . . . . 0 C--N 1.328 -0.33 0 CA-C-N 116.286 -0.415 . . . . 71.04 110.948 179.887 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 1' ' ' MET . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 C--O 1.231 0.108 0 CA-C-O 120.838 0.352 . . . . 75.3 110.884 . . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 2' ' ' LYS . . . . . 0.625 ' HD3' HD11 ' B' ' 59' ' ' LEU . 0.0 OUTLIER -173.23 149.11 1.74 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.183 -0.462 . . . . 61.03 110.874 179.882 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' B' B ' 3' ' ' LYS . . . . . . . . . . . . . 7.7 mttp -171.65 -50.68 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.187 -0.46 . . . . 74.1 110.86 179.863 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 4' ' ' LEU . . . . . . . . . . . . . 4.2 mm? -94.45 -23.11 17.87 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.253 -0.43 . . . . 65.2 110.909 179.966 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 5' ' ' ARG . . . . . . . . . . . . . 3.1 mtp180 -65.41 -40.6 93.58 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.194 -0.457 . . . . 71.43 110.87 179.934 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 6' ' ' GLU . . . . . 0.585 ' CA ' HD13 ' B' ' 59' ' ' LEU . 4.9 tt0 -56.95 -33.05 66.63 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.13 -0.487 . . . . 65.24 110.91 -179.893 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 7' ' ' GLU . . . . . . . . . . . . . 1.2 mm-40 -53.96 -45.3 71.28 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.185 -0.461 . . . . 74.43 110.867 -179.96 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 8' ' ' ALA . . . . . . . . . . . . . . . -58.5 -27.14 64.19 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.169 -0.468 . . . . 71.33 111.07 179.969 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 9' ' ' ALA . . . . . . . . . . . . . . . -74.2 -42.58 59.58 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.248 -0.433 . . . . 62.31 111.114 179.929 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 10' ' ' LYS . . . . . . . . . . . . . 6.9 mtpt -60.3 -32.38 71.16 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.244 -0.434 . . . . 75.33 110.859 -179.994 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 11' ' ' LEU . . . . . . . . . . . . . 78.3 mt -51.88 -44.02 63.54 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.265 -0.425 . . . . 62.13 110.898 179.904 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 12' ' ' PHE . . . . . 0.568 ' CE1' HD11 ' A' ' 26' ' ' LEU . 23.7 m-85 -74.13 -26.0 60.08 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.193 -0.458 . . . . 73.11 110.883 179.959 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 13' ' ' GLU . . . . . . . . . . . . . 1.1 tt0 -59.45 -35.22 73.64 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.171 -0.468 . . . . 73.52 110.886 -179.93 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 14' ' ' GLU . . . . . . . . . . . . . 4.9 mt-10 -74.98 -30.23 61.12 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.13 -0.486 . . . . 61.01 110.899 -179.938 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 15' ' ' TRP . . . . . . . . . . . . . 12.2 m0 -61.75 -50.55 71.93 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 116.13 -0.487 . . . . 73.15 110.909 -179.979 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 16' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -75.57 -24.56 56.65 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.211 -0.449 . . . . 70.05 110.918 179.9 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 17' ' ' LYS . . . . . . . . . . . . . 8.6 mmtp -73.09 -56.56 4.94 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.247 -0.433 . . . . 75.41 110.909 179.821 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 18' ' ' LEU . . . . . . . . . . . . . 12.2 mt -54.77 -39.66 68.61 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.22 -0.446 . . . . 75.01 110.889 179.886 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 19' ' ' ALA . . . . . 0.92 ' HB3' ' HB2' ' B' ' 45' ' ' ALA . . . -57.62 -23.46 51.2 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.233 -0.44 . . . . 64.13 111.126 179.783 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 20' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -73.25 -49.44 27.75 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.211 -0.449 . . . . 74.21 110.91 -179.945 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 21' ' ' GLU . . . . . . . . . . . . . 1.4 mm-40 -73.6 -50.15 22.6 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.119 -0.491 . . . . 72.52 110.844 -179.88 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 22' ' ' ALA . . . . . . . . . . . . . . . -54.87 -30.38 57.73 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.182 -0.463 . . . . 63.24 111.111 179.946 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 23' ' ' ALA . . . . . . . . . . . . . . . -71.04 -54.32 11.6 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.211 -0.449 . . . . 51.3 111.049 179.899 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 24' ' ' LYS . . . . . . . . . . . . . 4.8 ptpt -63.6 -34.37 77.66 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.24 -0.436 . . . . 75.4 110.858 -179.972 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 25' ' ' LEU . . . . . . . . . . . . . 5.8 mt -76.61 -38.98 53.87 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.195 -0.457 . . . . 74.33 110.932 179.956 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 26' ' ' LEU . . . . . 0.594 HD11 ' CE1' ' A' ' 12' ' ' PHE . 4.9 mt -50.55 -51.8 44.71 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.198 -0.456 . . . . 72.23 110.893 179.891 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 27' ' ' GLU . . . . . . . . . . . . . 9.5 mt-10 -78.94 -11.82 60.01 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.229 -0.441 . . . . 63.31 110.88 179.904 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 28' ' ' GLY . . . . . . . . . . . . . . . 64.1 20.56 65.0 Favored Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.761 -0.733 . . . . 62.0 112.498 -179.96 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 29' ' ' GLY . . . . . . . . . . . . . . . 61.04 19.54 56.91 Favored Glycine 0 N--CA 1.45 -0.387 0 C-N-CA 120.774 -0.727 . . . . 73.05 112.528 -179.887 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 30' ' ' GLY . . . . . . . . . . . . . . . 141.62 55.33 0.04 OUTLIER Glycine 0 N--CA 1.45 -0.368 0 C-N-CA 120.82 -0.705 . . . . 51.32 112.538 -179.89 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 31' ' ' GLY . . . . . . . . . . . . . . . -156.41 175.55 34.03 Favored Glycine 0 N--CA 1.451 -0.325 0 C-N-CA 120.78 -0.724 . . . . 75.1 112.563 -179.925 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 32' ' ' GLY . . . . . . . . . . . . . . . 52.23 -152.43 6.77 Favored Glycine 0 N--CA 1.451 -0.343 0 C-N-CA 120.706 -0.759 . . . . 54.04 112.564 -179.849 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 33' ' ' GLY . . . . . . . . . . . . . . . -64.35 -65.92 2.75 Favored Glycine 0 N--CA 1.452 -0.275 0 C-N-CA 120.749 -0.739 . . . . 52.33 112.485 -179.986 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 34' ' ' GLY . . . . . . . . . . . . . . . 66.16 149.84 0.1 Allowed Glycine 0 N--CA 1.45 -0.38 0 C-N-CA 120.832 -0.699 . . . . 34.43 112.507 -179.888 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 35' ' ' GLY . . . . . . . . . . . . . . . 129.09 -155.87 20.94 Favored Glycine 0 N--CA 1.451 -0.315 0 C-N-CA 120.793 -0.718 . . . . 71.15 112.463 -179.899 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 36' ' ' GLU . . . . . . . . . . . . . 30.1 tt0 -64.23 -29.77 70.85 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.874 0.369 . . . . 74.32 110.872 -179.895 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 37' ' ' LEU . . . . . 0.548 HD13 HH12 ' A' ' 58' ' ' ARG . 2.2 pp -51.91 -35.4 45.39 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.181 -0.463 . . . . 74.12 110.863 -179.902 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 38' ' ' MET . . . . . . . . . . . . . 2.5 ttp -73.07 -35.44 66.67 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.219 -0.446 . . . . 72.12 110.939 179.782 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 39' ' ' LYS . . . . . . . . . . . . . 29.4 tttt -53.84 -30.88 47.27 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.191 -0.459 . . . . 72.21 110.866 179.969 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 40' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -53.82 -57.65 10.14 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.262 -0.426 . . . . 63.34 110.902 179.926 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 41' ' ' CYS . . . . . . . . . . . . . 31.0 m -64.31 -34.55 78.39 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.242 -0.435 . . . . 55.33 110.926 179.879 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 42' ' ' GLU . . . . . . . . . . . . . 28.5 tt0 -56.3 -26.03 50.66 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.175 -0.466 . . . . 70.12 110.873 -179.86 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 43' ' ' GLU . . . . . . . . . . . . . 3.5 mm-40 -55.31 -25.94 37.53 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.131 -0.486 . . . . 71.04 110.901 -179.958 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 44' ' ' ALA . . . . . . . . . . . . . . . -52.79 -45.76 67.32 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.169 -0.469 . . . . 54.33 111.069 179.884 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 45' ' ' ALA . . . . . 0.92 ' HB2' ' HB3' ' B' ' 19' ' ' ALA . . . -75.08 -22.85 58.04 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.218 -0.446 . . . . 72.33 111.055 -180.0 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 46' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -75.36 -48.85 21.11 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.26 -0.427 . . . . 74.34 110.942 179.956 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 47' ' ' LYS . . . . . . . . . . . . . 13.9 mttt -73.74 -51.69 15.68 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.153 -0.476 . . . . 64.3 110.927 179.78 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 48' ' ' ALA . . . . . . . . . . . . . . . -52.66 -28.27 20.86 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.228 -0.442 . . . . 74.02 111.093 179.841 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 49' ' ' GLU . . . . . . . . . . . . . 1.6 tt0 -77.19 -36.85 54.64 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.187 -0.46 . . . . 74.25 110.826 -179.877 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 50' ' ' GLU . . . . . . . . . . . . . 2.5 mt-10 -74.74 -52.85 10.41 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.198 -0.456 . . . . 71.53 110.904 -179.943 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 51' ' ' LEU . . . . . 0.423 HD12 ' C ' ' B' ' 51' ' ' LEU . 4.6 pp -61.71 -19.62 62.6 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.22 -0.445 . . . . 73.32 110.917 179.985 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 52' ' ' PHE . . . . . . . . . . . . . 18.6 t80 -52.23 -23.63 5.95 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.202 -0.454 . . . . 71.14 110.875 179.893 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 53' ' ' LYS . . . . . . . . . . . . . 1.2 ptpm? -52.64 -40.43 62.79 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.176 -0.465 . . . . 62.3 110.923 179.946 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 54' ' ' LEU . . . . . . . . . . . . . 4.9 tp -55.44 -22.02 18.59 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.181 -0.463 . . . . 65.24 110.921 179.928 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 55' ' ' ALA . . . . . . . . . . . . . . . -68.14 -24.71 65.03 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.162 -0.472 . . . . 74.42 111.068 179.781 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 56' ' ' GLU . . . . . 0.546 ' OE1' HD11 ' B' ' 62' ' ' LEU . 1.3 mt-10 -76.36 -26.96 56.23 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.232 -0.44 . . . . 73.4 110.869 -179.868 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 57' ' ' GLU . . . . . . . . . . . . . 3.9 mm-40 -63.05 -49.69 73.56 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.136 -0.484 . . . . 65.53 110.914 -179.927 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 58' ' ' ARG . . . . . 0.541 HH12 HD13 ' A' ' 37' ' ' LEU . 0.0 OUTLIER -78.72 -18.84 53.67 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.106 -0.497 . . . . 74.44 110.854 -179.91 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' B' B ' 59' ' ' LEU . . . . . 0.625 HD11 ' HD3' ' B' ' 2' ' ' LYS . 20.3 tp -87.97 -77.57 0.35 Allowed 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.215 -0.448 . . . . 62.55 110.934 -179.936 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 60' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -101.15 -175.28 2.82 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.254 -0.43 . . . . 72.41 110.911 179.779 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 61' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -119.95 69.07 0.84 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.243 -0.435 . . . . 75.25 110.954 179.862 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 62' ' ' LEU . . . . . 0.546 HD11 ' OE1' ' B' ' 56' ' ' GLU . 71.6 mt . . . . . 0 C--N 1.329 -0.285 0 CA-C-N 116.168 -0.469 . . . . 74.44 110.977 179.954 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 101' ' ' HLT . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 013 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 6.2 mtm . . . . . 0 C--O 1.232 0.137 0 CA-C-O 120.789 0.328 . . . . 74.13 110.847 . . . . . . . . . 0 0 . 1 . 013 nuclear build full ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 15.3 ptmt -94.85 -166.57 1.49 Allowed 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.263 -0.426 . . . . 71.2 110.854 179.963 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER 180.0 -52.32 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.195 -0.457 . . . . 72.13 110.854 179.878 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER 176.81 -31.85 0.0 OUTLIER 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.286 -0.416 . . . . 73.24 110.895 179.923 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -70.6 -23.67 62.61 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.234 -0.439 . . . . 71.15 110.884 179.975 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 6' ' ' GLU . . . . . 0.51 ' CA ' HD13 ' A' ' 59' ' ' LEU . 0.0 OUTLIER -54.22 -32.67 56.44 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.172 -0.467 . . . . 74.32 110.877 -179.937 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 8.3 mm-40 -55.15 -53.84 50.88 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.167 -0.47 . . . . 65.31 110.866 -179.936 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -53.46 -27.95 27.79 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.173 -0.467 . . . . 61.25 111.109 179.977 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 9' ' ' ALA . . . . . 0.477 ' HB3' ' O ' ' A' ' 6' ' ' GLU . . . -66.94 -40.54 87.6 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.193 -0.458 . . . . 62.34 111.115 179.923 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 8.8 mtmt -62.68 -32.65 73.76 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.223 -0.444 . . . . 65.35 110.935 179.947 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 59.5 mt -51.99 -44.55 64.13 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.207 -0.451 . . . . 60.14 110.885 179.92 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 12' ' ' PHE . . . . . 0.514 ' CE1' HD13 ' A' ' 51' ' ' LEU . 28.0 m-85 -73.99 -24.42 59.6 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.161 -0.472 . . . . 62.01 110.939 179.946 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -57.75 -39.01 76.38 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 116.113 -0.494 . . . . 70.41 110.88 -179.936 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 10.0 mt-10 -75.09 -34.31 61.73 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.228 -0.442 . . . . 74.23 110.953 179.997 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 15' ' ' TRP . . . . . 0.547 ' CZ3' ' HB2' ' B' ' 44' ' ' ALA . 23.2 m0 -53.9 -48.46 70.1 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.14 -0.482 . . . . 74.52 110.928 -179.974 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -77.15 -24.21 51.58 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.258 -0.428 . . . . 74.5 110.943 179.852 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -70.26 -47.08 62.91 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.209 -0.45 . . . . 32.43 110.928 179.851 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 3.6 mt -55.81 -32.79 63.86 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.192 -0.458 . . . . 75.12 110.899 179.907 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -69.96 -20.96 63.3 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.216 -0.447 . . . . 70.15 111.134 179.801 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 69.5 mt-10 -67.28 -49.24 65.08 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.18 -0.464 . . . . 70.41 110.9 -179.901 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 2.4 mm-40 -71.37 -32.14 68.14 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.117 -0.492 . . . . 43.04 110.923 -179.969 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -76.05 -32.94 59.56 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.128 -0.487 . . . . 70.41 111.116 179.904 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -70.95 -50.63 32.41 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.219 -0.446 . . . . 74.22 111.135 179.925 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -61.93 -37.54 85.09 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.265 -0.425 . . . . 43.13 110.945 179.925 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 12.6 mt -76.62 -38.91 53.95 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.238 -0.437 . . . . 72.41 110.899 179.899 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 2.4 mt -50.67 -43.33 57.42 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.125 -0.489 . . . . 63.42 110.915 179.957 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 9.0 mt-10 -101.61 12.83 36.54 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.181 -0.463 . . . . 73.44 110.915 179.943 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . -56.22 -17.53 17.91 Favored Glycine 0 N--CA 1.452 -0.297 0 C-N-CA 120.779 -0.724 . . . . 70.22 112.467 -179.968 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . 145.37 38.89 0.05 OUTLIER Glycine 0 N--CA 1.452 -0.262 0 C-N-CA 120.704 -0.76 . . . . 74.05 112.476 -179.866 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . -137.91 -67.06 0.05 OUTLIER Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.701 -0.762 . . . . 73.1 112.479 -179.959 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . 119.88 -54.71 0.64 Allowed Glycine 0 N--CA 1.451 -0.357 0 C-N-CA 120.755 -0.736 . . . . 52.31 112.494 -179.927 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . 52.11 -171.71 0.36 Allowed Glycine 0 N--CA 1.452 -0.297 0 C-N-CA 120.71 -0.757 . . . . 63.03 112.487 -179.951 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . 117.48 -90.09 0.5 Allowed Glycine 0 N--CA 1.451 -0.34 0 C-N-CA 120.745 -0.741 . . . . 50.51 112.484 -179.92 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 65.8 20.35 68.32 Favored Glycine 0 N--CA 1.452 -0.289 0 C-N-CA 120.749 -0.739 . . . . 71.22 112.441 -179.911 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 147.98 -145.04 13.15 Favored Glycine 0 N--CA 1.451 -0.3 0 C-N-CA 120.731 -0.747 . . . . 71.24 112.47 -179.956 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 1.8 pt-20 -74.91 -10.66 59.7 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.94 0.4 . . . . 71.4 110.907 -179.875 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 37' ' ' LEU . . . . . 0.62 HD13 ' CB ' ' B' ' 54' ' ' LEU . 0.3 OUTLIER -50.84 -52.66 39.26 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.112 -0.495 . . . . 75.5 110.896 -179.922 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 38' ' ' MET . . . . . . . . . . . . . 43.9 ttm -53.0 -42.04 65.21 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.14 -0.482 . . . . 55.34 110.891 179.848 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -69.36 -27.95 65.78 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.224 -0.444 . . . . 64.52 110.92 179.939 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 40' ' ' LEU . . . . . 0.56 HD22 ' HD3' ' B' ' 47' ' ' LYS . 27.0 mt -74.01 -30.75 62.61 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.202 -0.454 . . . . 70.53 110.962 179.896 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 41' ' ' CYS . . . . . . . . . . . . . 48.4 m -62.22 -35.27 78.39 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.17 -0.468 . . . . 71.54 110.822 179.95 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -72.69 -30.25 64.08 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.191 -0.458 . . . . 75.12 110.883 -179.806 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 3.8 mm-40 -59.24 -33.9 71.57 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 116.117 -0.492 . . . . 75.41 110.95 -179.974 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 44' ' ' ALA . . . . . 0.481 ' HB2' ' CZ3' ' B' ' 15' ' ' TRP . . . -51.6 -42.54 62.02 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.116 -0.493 . . . . 71.51 111.142 179.911 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -75.18 -22.97 57.65 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.182 -0.463 . . . . 71.24 111.052 -179.998 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -77.92 -46.74 20.4 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.208 -0.451 . . . . 70.31 110.853 -179.958 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 36.6 mmtm -61.85 -53.79 51.05 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.234 -0.439 . . . . 74.02 110.86 179.86 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 48' ' ' ALA . . . . . 0.465 ' HA ' HD12 ' A' ' 51' ' ' LEU . . . -58.05 -49.73 75.87 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.283 -0.417 . . . . 70.2 111.128 179.87 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 4.3 tp10 -58.76 -37.63 76.67 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.25 -0.432 . . . . 74.01 110.924 -179.98 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -73.92 -33.49 63.98 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.123 -0.49 . . . . 71.35 110.841 -179.895 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 51' ' ' LEU . . . . . 0.514 HD13 ' CE1' ' A' ' 12' ' ' PHE . 6.0 mt -72.98 -45.11 59.81 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.218 -0.446 . . . . 70.24 110.898 -179.966 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 52' ' ' PHE . . . . . . . . . . . . . 21.2 t80 -54.34 -29.76 49.17 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.164 -0.471 . . . . 65.22 110.879 179.925 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 23.6 mmtt -61.58 -44.69 96.55 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.146 -0.479 . . . . 65.35 110.912 -179.989 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 54' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -68.71 -27.29 65.82 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.246 -0.434 . . . . 50.43 110.9 179.936 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -53.35 -27.63 24.64 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.262 -0.426 . . . . 70.52 111.078 179.803 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 6.0 tt0 -64.9 -45.7 84.82 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.218 -0.446 . . . . 73.51 110.865 -179.916 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 24.9 tt0 -66.56 -37.92 85.97 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.166 -0.47 . . . . 61.33 110.917 -179.974 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 3.2 mtp85 -78.01 -19.37 54.55 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.176 -0.466 . . . . 74.02 110.825 -179.898 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 59' ' ' LEU . . . . . 0.51 HD13 ' CA ' ' A' ' 6' ' ' GLU . 26.4 tp -99.8 -78.8 0.5 Allowed 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.213 -0.449 . . . . 74.32 110.922 -179.99 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -95.22 -174.22 3.15 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.245 -0.434 . . . . 72.44 110.943 179.826 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -99.08 86.72 3.51 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.265 -0.425 . . . . 75.33 110.949 179.829 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 1.5 tt . . . . . 0 C--N 1.328 -0.35 0 CA-C-N 116.215 -0.448 . . . . 74.01 110.939 179.907 . . . . . . . . 0 0 . 1 . 013 nuclear build full ' B' B ' 1' ' ' MET . . . . . . . . . . . . . 6.2 mtm . . . . . 0 C--O 1.231 0.103 0 CA-C-O 120.866 0.365 . . . . 64.35 110.843 . . . . . . . . . 0 0 . 1 . 013 nuclear build full ' B' B ' 2' ' ' LYS . . . . . 0.514 ' HA ' HD11 ' B' ' 59' ' ' LEU . 15.3 ptmt -95.16 -166.48 1.47 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.185 -0.461 . . . . 71.21 110.894 179.94 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 3' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -179.82 -52.42 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.254 -0.43 . . . . 73.01 110.855 179.849 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 4' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER 176.98 -32.05 0.0 OUTLIER 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.2 -0.455 . . . . 71.12 110.904 179.908 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 5' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -70.22 -24.06 63.04 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.156 -0.475 . . . . 74.1 110.916 179.895 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 6' ' ' GLU . . . . . 0.463 ' O ' ' HB3' ' B' ' 9' ' ' ALA . 0.0 OUTLIER -54.12 -32.95 56.54 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.165 -0.47 . . . . 73.44 110.873 -179.919 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' B' B ' 7' ' ' GLU . . . . . . . . . . . . . 8.1 mm-40 -55.55 -54.12 48.0 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.149 -0.478 . . . . 63.32 110.946 -179.945 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 8' ' ' ALA . . . . . . . . . . . . . . . -53.48 -27.99 28.21 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.113 -0.494 . . . . 45.31 111.079 179.911 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 9' ' ' ALA . . . . . 0.463 ' HB3' ' O ' ' B' ' 6' ' ' GLU . . . -67.36 -41.36 85.24 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.267 -0.424 . . . . 72.34 111.053 179.933 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 10' ' ' LYS . . . . . . . . . . . . . 9.0 mtmt -63.28 -32.37 73.76 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.256 -0.429 . . . . 54.13 110.923 179.978 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 11' ' ' LEU . . . . . . . . . . . . . 60.8 mt -51.87 -44.52 63.73 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.243 -0.435 . . . . 71.54 110.916 179.913 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 12' ' ' PHE . . . . . 0.649 ' CE1' HD13 ' B' ' 51' ' ' LEU . 28.1 m-85 -73.95 -25.12 59.78 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.144 -0.48 . . . . 73.32 110.906 179.937 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 13' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -57.34 -39.36 75.76 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.17 -0.468 . . . . 74.41 110.859 -179.937 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 14' ' ' GLU . . . . . . . . . . . . . 10.4 mt-10 -75.13 -34.31 61.65 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.127 -0.488 . . . . 70.11 110.847 -179.87 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 15' ' ' TRP . . . . . 0.481 ' CZ3' ' HB2' ' A' ' 44' ' ' ALA . 20.9 m0 -53.88 -48.18 70.34 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.207 -0.451 . . . . 63.21 110.9 -179.957 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 16' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -76.97 -24.78 52.29 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.248 -0.433 . . . . 74.4 110.909 179.939 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 17' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -70.98 -45.37 64.16 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.2 -0.455 . . . . 72.21 110.918 179.889 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 18' ' ' LEU . . . . . . . . . . . . . 3.5 mt -54.66 -26.62 34.38 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.161 -0.472 . . . . 72.33 110.961 179.836 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 19' ' ' ALA . . . . . . . . . . . . . . . -62.86 -30.26 71.37 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.203 -0.453 . . . . 62.41 111.09 179.841 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 20' ' ' GLU . . . . . . . . . . . . . 65.3 mt-10 -66.98 -49.38 65.55 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.179 -0.464 . . . . 72.41 110.887 -179.917 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 21' ' ' GLU . . . . . . . . . . . . . 2.4 mm-40 -74.14 -30.96 62.54 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.188 -0.46 . . . . 64.33 110.913 -179.931 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 22' ' ' ALA . . . . . . . . . . . . . . . -75.87 -30.77 58.97 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.116 -0.493 . . . . 72.52 111.116 179.928 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 23' ' ' ALA . . . . . . . . . . . . . . . -70.93 -51.96 22.85 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.152 -0.476 . . . . 75.01 111.01 179.976 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 24' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -62.04 -37.26 84.27 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.271 -0.422 . . . . 54.22 110.918 -179.99 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 25' ' ' LEU . . . . . 0.409 HD23 ' HA ' ' B' ' 25' ' ' LEU . 12.5 mt -76.82 -36.74 56.68 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.145 -0.48 . . . . 74.14 110.864 179.947 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 26' ' ' LEU . . . . . . . . . . . . . 2.0 mt -50.49 -47.49 57.16 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.151 -0.477 . . . . 74.52 110.97 179.919 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 27' ' ' GLU . . . . . . . . . . . . . 9.2 mt-10 -96.81 12.3 32.59 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.161 -0.472 . . . . 75.13 110.925 179.883 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 28' ' ' GLY . . . . . . . . . . . . . . . -59.8 -13.96 27.78 Favored Glycine 0 N--CA 1.451 -0.326 0 C-N-CA 120.782 -0.723 . . . . 33.24 112.487 -179.996 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 29' ' ' GLY . . . . . . . . . . . . . . . 145.5 50.1 0.03 OUTLIER Glycine 0 N--CA 1.452 -0.288 0 C-N-CA 120.696 -0.764 . . . . 74.23 112.482 -179.873 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 30' ' ' GLY . . . . . . . . . . . . . . . -114.02 -29.6 2.76 Favored Glycine 0 N--CA 1.451 -0.325 0 C-N-CA 120.682 -0.77 . . . . 75.22 112.502 -179.919 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 31' ' ' GLY . . . . . . . . . . . . . . . 157.51 -32.61 0.53 Allowed Glycine 0 N--CA 1.451 -0.339 0 C-N-CA 120.723 -0.751 . . . . 33.14 112.482 -179.982 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 32' ' ' GLY . . . . . . . . . . . . . . . 71.93 -134.72 22.16 Favored Glycine 0 N--CA 1.451 -0.316 0 C-N-CA 120.801 -0.714 . . . . 63.35 112.473 -179.879 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 33' ' ' GLY . . . . . . . . . . . . . . . 155.46 -69.02 0.29 Allowed Glycine 0 N--CA 1.451 -0.357 0 C-N-CA 120.768 -0.73 . . . . 54.13 112.506 -179.923 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 34' ' ' GLY . . . . . . . . . . . . . . . 85.28 56.09 2.48 Favored Glycine 0 N--CA 1.451 -0.301 0 C-N-CA 120.672 -0.775 . . . . 71.41 112.445 -179.938 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 35' ' ' GLY . . . . . . . . . . . . . . . -177.75 -138.39 3.04 Favored Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 120.76 -0.734 . . . . 74.21 112.556 -179.915 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 36' ' ' GLU . . . . . . . . . . . . . 1.6 pt-20 -65.96 -15.4 62.96 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-O 120.972 0.415 . . . . 74.01 110.928 -179.912 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 37' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -53.35 -59.13 4.97 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.165 -0.47 . . . . 75.13 110.92 -179.988 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 38' ' ' MET . . . . . . . . . . . . . 47.4 ttm -68.36 -30.07 68.93 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.206 -0.452 . . . . 71.44 110.919 179.792 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 39' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -57.13 -30.63 64.57 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.197 -0.456 . . . . 74.11 110.926 179.911 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 40' ' ' LEU . . . . . . . . . . . . . 27.0 mt -71.69 -42.88 66.89 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.24 -0.436 . . . . 74.02 110.909 179.96 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 41' ' ' CYS . . . . . . . . . . . . . 32.0 m -74.94 -29.33 60.91 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.195 -0.457 . . . . 50.22 110.936 179.873 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 42' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -66.37 -25.71 66.92 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.154 -0.476 . . . . 62.24 110.876 -179.827 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 43' ' ' GLU . . . . . . . . . . . . . 3.6 mm-40 -54.75 -34.63 62.8 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.092 -0.504 . . . . 75.32 110.859 -179.93 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 44' ' ' ALA . . . . . 0.547 ' HB2' ' CZ3' ' A' ' 15' ' ' TRP . . . -51.91 -42.0 62.4 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.145 -0.48 . . . . 44.41 111.068 -179.972 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 45' ' ' ALA . . . . . . . . . . . . . . . -75.18 -22.9 57.72 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.222 -0.444 . . . . 70.02 111.135 179.939 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 46' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -74.44 -45.7 44.76 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.177 -0.465 . . . . 74.31 110.858 179.968 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 47' ' ' LYS . . . . . 0.56 ' HD3' HD22 ' A' ' 40' ' ' LEU . 37.1 mmtm -60.87 -53.67 54.51 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.219 -0.446 . . . . 65.44 110.954 179.86 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 48' ' ' ALA . . . . . 0.681 ' HA ' HD12 ' B' ' 51' ' ' LEU . . . -59.0 -49.12 79.12 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.188 -0.46 . . . . 63.03 111.102 179.824 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 49' ' ' GLU . . . . . . . . . . . . . 4.2 tp10 -57.9 -37.15 73.48 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.202 -0.454 . . . . 72.04 110.839 -179.953 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 50' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -73.77 -32.23 63.69 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.221 -0.445 . . . . 51.35 110.908 -179.88 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 51' ' ' LEU . . . . . 0.681 HD12 ' HA ' ' B' ' 48' ' ' ALA . 5.6 mt -72.41 -43.93 63.18 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.124 -0.489 . . . . 60.14 110.969 179.994 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 52' ' ' PHE . . . . . 0.434 ' O ' ' HB3' ' B' ' 55' ' ' ALA . 20.9 t80 -54.12 -28.13 37.7 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.179 -0.464 . . . . 72.15 110.852 179.922 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 53' ' ' LYS . . . . . . . . . . . . . 23.6 mmtt -59.92 -44.76 94.12 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.253 -0.43 . . . . 60.54 110.846 179.936 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 54' ' ' LEU . . . . . 0.62 ' CB ' HD13 ' A' ' 37' ' ' LEU . 0.3 OUTLIER -68.69 -25.85 65.0 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.25 -0.432 . . . . 75.13 110.976 179.93 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' B' B ' 55' ' ' ALA . . . . . 0.442 ' HB1' ' HB2' ' B' ' 9' ' ' ALA . . . -53.22 -27.66 23.08 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.131 -0.486 . . . . 54.33 111.128 179.75 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 56' ' ' GLU . . . . . . . . . . . . . 6.0 tt0 -64.56 -45.95 84.86 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.181 -0.463 . . . . 73.41 110.906 -179.939 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 57' ' ' GLU . . . . . . . . . . . . . 25.0 tt0 -66.47 -37.83 85.98 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.124 -0.489 . . . . 63.43 110.879 -179.898 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 58' ' ' ARG . . . . . . . . . . . . . 3.1 mtp85 -78.08 -19.16 54.74 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.179 -0.464 . . . . 65.45 110.861 -179.916 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 59' ' ' LEU . . . . . 0.514 HD11 ' HA ' ' B' ' 2' ' ' LYS . 28.6 tp -100.06 -78.73 0.51 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.188 -0.46 . . . . 65.41 110.96 -179.961 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 60' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -95.23 -174.18 3.14 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.188 -0.46 . . . . 71.12 110.905 179.784 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 61' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -98.98 86.82 3.55 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 116.192 -0.458 . . . . 72.01 110.89 179.878 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 62' ' ' LEU . . . . . . . . . . . . . 1.5 tt . . . . . 0 C--N 1.328 -0.357 0 CA-C-N 116.188 -0.46 . . . . 73.32 110.9 179.905 . . . . . . . . 0 0 . 1 . 013 nuclear build full ' A' A ' 101' ' ' HLT . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 014 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 3.7 ptt? . . . . . 0 C--O 1.232 0.145 0 CA-C-O 120.862 0.363 . . . . 74.45 110.836 . . . . . . . . . 0 0 . 1 . 014 nuclear build full ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -51.83 140.52 19.3 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.269 -0.423 . . . . 71.12 110.926 179.918 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -119.53 -30.12 4.92 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.255 -0.43 . . . . 62.3 110.935 179.87 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -176.45 -31.7 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.176 -0.465 . . . . 72.13 110.914 179.896 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 37.1 mtt180 -51.4 -27.58 10.41 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.241 -0.436 . . . . 64.21 110.828 179.965 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -52.53 -26.62 13.69 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.277 -0.42 . . . . 74.25 110.878 -179.921 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 1.5 mm-40 -53.04 -36.08 60.18 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.177 -0.465 . . . . 74.34 110.866 -179.924 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -76.24 -26.98 56.56 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.108 -0.496 . . . . 72.31 111.067 179.988 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 9' ' ' ALA . . . . . 0.749 ' HB2' HD13 ' A' ' 59' ' ' LEU . . . -60.82 -41.0 94.86 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.3 -0.409 . . . . 71.32 111.084 179.926 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 17.2 mtpt -55.8 -34.36 65.25 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.263 -0.426 . . . . 64.24 110.909 179.94 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 33.7 mt -52.2 -42.91 63.9 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.237 -0.438 . . . . 64.43 110.907 179.921 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 22.8 m-85 -73.99 -26.32 60.4 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.181 -0.463 . . . . 71.11 110.926 179.937 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -62.25 -48.49 79.69 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.127 -0.488 . . . . 64.52 110.977 -179.991 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 6.2 mt-10 -75.08 -27.59 59.99 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.132 -0.485 . . . . 73.1 110.857 -179.946 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 15' ' ' TRP . . . . . . . . . . . . . 0.0 OUTLIER -56.33 -55.74 29.73 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.181 -0.463 . . . . 62.43 110.904 -179.94 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 2.8 ptmt -68.92 -22.33 64.16 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.223 -0.444 . . . . 74.52 110.993 179.901 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 1.9 tttt -75.03 -43.97 50.58 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.154 -0.476 . . . . 64.54 110.908 179.834 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 3.6 mt -57.2 -23.96 51.27 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.236 -0.438 . . . . 74.54 110.895 179.941 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -72.07 -10.05 59.24 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.237 -0.438 . . . . 73.21 111.084 179.836 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 1.4 tp10 -68.77 -49.54 57.82 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.162 -0.472 . . . . 65.33 110.89 -179.908 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -53.52 -34.2 57.27 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.193 -0.458 . . . . 73.35 110.857 -179.893 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 22' ' ' ALA . . . . . 0.458 ' O ' HD12 ' A' ' 26' ' ' LEU . . . -77.42 -31.74 54.2 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.141 -0.481 . . . . 65.44 111.062 179.952 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -72.1 -46.04 58.31 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.187 -0.461 . . . . 73.41 111.155 179.941 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -67.65 -36.76 81.35 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.222 -0.445 . . . . 73.25 110.828 -179.978 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 25' ' ' LEU . . . . . 0.419 ' HA ' HD23 ' A' ' 25' ' ' LEU . 13.0 mt -76.77 -38.32 54.29 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.248 -0.433 . . . . 75.45 110.91 179.957 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 26' ' ' LEU . . . . . 0.458 HD12 ' O ' ' A' ' 22' ' ' ALA . 1.3 mt -50.45 -45.91 56.29 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.169 -0.469 . . . . 74.33 110.87 179.943 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 1.1 mt-10 -98.96 12.38 36.1 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.187 -0.461 . . . . 74.32 110.873 179.939 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . -59.47 -14.26 26.8 Favored Glycine 0 N--CA 1.451 -0.32 0 C-N-CA 120.769 -0.729 . . . . 70.34 112.532 179.976 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . 137.43 43.56 0.09 OUTLIER Glycine 0 N--CA 1.451 -0.356 0 C-N-CA 120.742 -0.742 . . . . 53.15 112.485 -179.94 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . -171.04 57.9 0.18 Allowed Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 120.777 -0.725 . . . . 75.22 112.495 -179.914 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . -174.49 -120.64 0.59 Allowed Glycine 0 N--CA 1.451 -0.304 0 C-N-CA 120.807 -0.711 . . . . 73.04 112.474 -179.907 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . 59.8 29.01 66.61 Favored Glycine 0 N--CA 1.452 -0.286 0 C-N-CA 120.706 -0.759 . . . . 73.23 112.493 -179.89 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -78.07 58.88 3.95 Favored Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 120.774 -0.727 . . . . 72.42 112.518 -179.906 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 95.1 -19.23 55.15 Favored Glycine 0 N--CA 1.451 -0.302 0 C-N-CA 120.726 -0.75 . . . . 60.54 112.49 -179.899 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 97.14 -18.81 56.84 Favored Glycine 0 N--CA 1.452 -0.258 0 C-N-CA 120.775 -0.726 . . . . 71.42 112.501 -179.862 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 35.8 tt0 -56.31 -35.58 67.72 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-O 120.932 0.396 . . . . 71.01 110.918 -179.843 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 30.5 tp -56.93 -47.97 79.36 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.118 -0.492 . . . . 64.24 110.97 179.985 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 38' ' ' MET . . . . . . . . . . . . . 19.2 ttm -66.79 -31.25 71.77 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.132 -0.485 . . . . 61.31 110.878 179.816 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 9.4 tttt -61.09 -27.93 68.72 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.208 -0.451 . . . . 75.42 110.896 179.956 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 40' ' ' LEU . . . . . 0.778 ' HB3' HD22 ' B' ' 51' ' ' LEU . 32.4 mt -67.6 -60.12 2.8 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.189 -0.459 . . . . 53.33 110.942 179.899 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 41' ' ' CYS . . . . . . . . . . . . . 16.0 p -60.66 -25.42 66.33 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.152 -0.476 . . . . 63.11 110.941 179.912 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 59.5 tt0 -61.78 -25.05 67.24 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.114 -0.494 . . . . 54.04 110.912 -179.885 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 2.1 mm-40 -54.48 -36.37 64.08 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.175 -0.466 . . . . 72.41 110.892 -179.984 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 44' ' ' ALA . . . . . 0.514 ' HB2' ' CZ2' ' B' ' 15' ' ' TRP . . . -51.31 -45.25 62.15 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.23 -0.441 . . . . 73.32 111.051 179.953 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -75.36 -22.65 57.38 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.2 -0.455 . . . . 61.43 111.14 179.909 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -76.09 -49.83 16.36 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.19 -0.459 . . . . 75.1 110.897 -179.962 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 10.6 mmpt? -65.86 -39.54 90.83 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.167 -0.469 . . . . 73.45 110.867 179.904 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -67.84 -45.84 73.5 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.288 -0.414 . . . . 72.35 111.05 179.839 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 4.6 tp10 -72.15 -27.96 62.93 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.2 -0.455 . . . . 74.53 110.849 -179.881 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 6.3 tt0 -71.23 -49.87 38.84 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.25 -0.432 . . . . 72.23 110.86 -179.958 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 51' ' ' LEU . . . . . 0.479 HD12 ' N ' ' A' ' 52' ' ' PHE . 4.4 pp -72.67 -33.64 66.68 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.228 -0.442 . . . . 72.13 110.963 179.982 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 52' ' ' PHE . . . . . 0.479 ' N ' HD12 ' A' ' 51' ' ' LEU . 70.8 t80 -62.86 -29.2 70.57 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.17 -0.468 . . . . 72.14 110.892 179.91 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 7.0 mmtp -59.44 -57.94 10.77 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.136 -0.484 . . . . 70.54 110.887 179.971 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 54' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -75.3 -41.47 56.89 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.196 -0.456 . . . . 73.42 110.902 179.964 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -61.66 -25.07 67.15 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.254 -0.43 . . . . 71.22 111.084 179.804 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 3.6 tt0 -52.75 -25.22 10.55 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.257 -0.429 . . . . 73.12 110.87 -179.943 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 17.2 tt0 -76.57 -55.4 5.56 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.11 -0.495 . . . . 64.0 110.899 -179.96 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 58' ' ' ARG . . . . . 0.488 ' NH1' HD13 ' B' ' 37' ' ' LEU . 0.0 OUTLIER -68.93 -10.95 59.96 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.189 -0.459 . . . . 65.14 110.922 -179.933 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 59' ' ' LEU . . . . . 0.749 HD13 ' HB2' ' A' ' 9' ' ' ALA . 11.6 mt -100.87 -64.01 1.08 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.133 -0.485 . . . . 74.13 110.957 179.955 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 13.9 mmtp -88.92 -68.6 0.76 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.145 -0.48 . . . . 71.43 110.859 179.875 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 1.9 tmtt? 179.61 -60.03 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.25 -0.432 . . . . 75.51 110.873 179.858 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER . . . . . 0 C--N 1.329 -0.318 0 CA-C-N 116.213 -0.449 . . . . 74.23 110.89 179.902 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 1' ' ' MET . . . . . . . . . . . . . 3.7 ptt? . . . . . 0 C--O 1.231 0.091 0 CA-C-O 120.842 0.353 . . . . 54.35 110.857 . . . . . . . . . 0 0 . 1 . 014 nuclear build full ' B' B ' 2' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -51.79 141.37 17.26 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.204 -0.453 . . . . 53.44 110.895 179.892 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 3' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -118.75 -28.94 5.49 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.179 -0.464 . . . . 74.33 110.867 179.832 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 4' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -176.49 -31.76 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.229 -0.441 . . . . 70.33 110.862 179.921 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 5' ' ' ARG . . . . . . . . . . . . . 37.3 mtt180 -51.31 -27.63 10.01 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.248 -0.433 . . . . 71.42 110.854 179.92 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 6' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -52.5 -26.43 13.01 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.233 -0.439 . . . . 64.5 110.854 -179.865 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 7' ' ' GLU . . . . . . . . . . . . . 1.5 mm-40 -52.94 -34.28 54.76 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.106 -0.497 . . . . 73.04 110.885 -179.946 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 8' ' ' ALA . . . . . 0.409 ' HB3' HD21 ' B' ' 59' ' ' LEU . . . -76.05 -27.97 57.47 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.129 -0.487 . . . . 71.34 111.074 179.961 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 9' ' ' ALA . . . . . 0.708 ' HB2' HD13 ' B' ' 59' ' ' LEU . . . -60.51 -40.2 90.57 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.295 -0.412 . . . . 30.33 111.078 179.979 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 10' ' ' LYS . . . . . . . . . . . . . 17.2 mtpt -55.76 -34.33 65.12 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.141 -0.481 . . . . 74.15 110.948 179.973 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 11' ' ' LEU . . . . . . . . . . . . . 32.4 mt -52.62 -42.98 65.1 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.257 -0.429 . . . . 71.2 110.931 179.879 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 12' ' ' PHE . . . . . . . . . . . . . 18.1 m-85 -74.16 -24.61 59.42 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.192 -0.458 . . . . 75.42 110.893 179.882 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 13' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -53.71 -38.04 63.87 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.214 -0.448 . . . . 73.14 110.885 -179.924 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 14' ' ' GLU . . . . . . . . . . . . . 5.4 mt-10 -66.23 -26.59 67.44 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.113 -0.494 . . . . 73.22 110.851 -179.894 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 15' ' ' TRP . . . . . 0.641 ' HE1' ' HB1' ' B' ' 44' ' ' ALA . 3.2 t90 -63.07 -56.2 18.99 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.169 -0.469 . . . . 73.12 110.945 179.998 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 16' ' ' LYS . . . . . . . . . . . . . 2.8 ptmt -71.19 -25.43 62.52 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.261 -0.427 . . . . 75.35 110.925 179.908 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 17' ' ' LYS . . . . . . . . . . . . . 4.0 tttt -75.15 -62.71 1.46 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.187 -0.46 . . . . 75.52 110.858 179.909 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 18' ' ' LEU . . . . . . . . . . . . . 3.3 mt -57.95 -24.46 58.06 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.241 -0.436 . . . . 71.31 110.926 179.935 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 19' ' ' ALA . . . . . . . . . . . . . . . -73.85 -10.06 59.28 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.223 -0.444 . . . . 75.34 111.133 179.76 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 20' ' ' GLU . . . . . . . . . . . . . 1.4 tp10 -72.97 -49.45 29.07 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.226 -0.443 . . . . 64.14 110.88 -179.875 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 21' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -53.57 -34.22 57.53 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.162 -0.472 . . . . 73.12 110.875 -179.946 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 22' ' ' ALA . . . . . 0.457 ' O ' HD12 ' B' ' 26' ' ' LEU . . . -77.78 -32.02 52.28 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.163 -0.472 . . . . 55.24 111.123 179.869 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 23' ' ' ALA . . . . . . . . . . . . . . . -71.23 -46.52 60.95 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.236 -0.438 . . . . 51.42 111.099 179.899 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 24' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -67.44 -36.91 82.14 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.183 -0.462 . . . . 73.35 110.943 179.969 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 25' ' ' LEU . . . . . 0.402 HD23 ' HA ' ' B' ' 25' ' ' LEU . 13.5 mt -76.76 -37.64 55.54 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.236 -0.438 . . . . 61.31 110.907 179.894 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 26' ' ' LEU . . . . . 0.457 HD12 ' O ' ' B' ' 22' ' ' ALA . 1.2 mt -50.37 -47.24 56.23 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.19 -0.459 . . . . 73.33 110.965 179.877 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 27' ' ' GLU . . . . . . . . . . . . . 1.1 mt-10 -100.01 12.32 37.14 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.157 -0.474 . . . . 73.31 110.872 179.962 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 28' ' ' GLY . . . . . . . . . . . . . . . -59.34 -14.5 26.97 Favored Glycine 0 N--CA 1.451 -0.333 0 C-N-CA 120.805 -0.712 . . . . 71.24 112.506 179.977 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 29' ' ' GLY . . . . . . . . . . . . . . . 135.04 43.79 0.11 Allowed Glycine 0 N--CA 1.451 -0.326 0 C-N-CA 120.774 -0.727 . . . . 23.44 112.5 -179.911 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 30' ' ' GLY . . . . . . . . . . . . . . . -170.81 62.47 0.17 Allowed Glycine 0 N--CA 1.45 -0.383 0 C-N-CA 120.723 -0.751 . . . . 74.13 112.478 -179.957 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 31' ' ' GLY . . . . . . . . . . . . . . . -171.61 -125.4 0.82 Allowed Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.682 -0.77 . . . . 64.14 112.408 -179.89 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 32' ' ' GLY . . . . . . . . . . . . . . . 56.48 27.97 54.93 Favored Glycine 0 N--CA 1.452 -0.287 0 C-N-CA 120.731 -0.747 . . . . 73.5 112.483 -179.925 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 33' ' ' GLY . . . . . . . . . . . . . . . -79.02 57.67 4.33 Favored Glycine 0 N--CA 1.451 -0.34 0 C-N-CA 120.748 -0.739 . . . . 24.14 112.5 -179.89 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 34' ' ' GLY . . . . . . . . . . . . . . . 92.72 -21.55 38.37 Favored Glycine 0 N--CA 1.451 -0.306 0 C-N-CA 120.72 -0.753 . . . . 60.42 112.489 -179.893 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 35' ' ' GLY . . . . . . . . . . . . . . . 95.9 -20.61 49.14 Favored Glycine 0 N--CA 1.45 -0.405 0 C-N-CA 120.805 -0.712 . . . . 75.53 112.482 -179.922 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 36' ' ' GLU . . . . . . . . . . . . . 35.7 tt0 -58.0 -39.28 77.89 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-O 120.867 0.365 . . . . 64.43 110.93 -179.886 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 37' ' ' LEU . . . . . 0.488 HD13 ' NH1' ' A' ' 58' ' ' ARG . 14.1 tp -59.54 -48.3 82.17 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.186 -0.461 . . . . 74.0 110.873 -179.998 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 38' ' ' MET . . . . . . . . . . . . . 25.6 ttm -66.15 -32.49 73.96 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.171 -0.468 . . . . 73.34 110.853 179.903 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 39' ' ' LYS . . . . . . . . . . . . . 9.4 tttt -58.37 -30.97 67.2 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.225 -0.443 . . . . 74.31 110.901 179.898 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 40' ' ' LEU . . . . . . . . . . . . . 24.9 mt -67.65 -60.53 2.47 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 116.194 -0.457 . . . . 74.11 110.887 179.961 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 41' ' ' CYS . . . . . . . . . . . . . 18.6 p -64.79 -24.15 67.46 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.201 -0.454 . . . . 72.14 110.895 179.916 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 42' ' ' GLU . . . . . . . . . . . . . 59.7 tt0 -66.43 -25.76 66.9 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.242 -0.436 . . . . 65.42 110.89 -179.881 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 43' ' ' GLU . . . . . . . . . . . . . 1.9 mm-40 -54.65 -44.57 73.37 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.063 -0.517 . . . . 74.14 110.846 -179.919 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 44' ' ' ALA . . . . . 0.641 ' HB1' ' HE1' ' B' ' 15' ' ' TRP . . . -51.43 -43.97 62.18 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.151 -0.477 . . . . 53.41 111.151 179.993 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 45' ' ' ALA . . . . . . . . . . . . . . . -75.73 -22.46 56.54 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.159 -0.473 . . . . 54.54 111.058 179.924 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 46' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -76.14 -48.49 20.4 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.297 -0.41 . . . . 74.4 110.902 179.987 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 47' ' ' LYS . . . . . . . . . . . . . 10.6 mmpt? -61.83 -38.73 89.28 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.183 -0.462 . . . . 74.14 110.9 179.835 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 48' ' ' ALA . . . . . 0.607 ' HB2' ' CD2' ' B' ' 15' ' ' TRP . . . -68.81 -45.07 72.21 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.189 -0.459 . . . . 65.51 111.142 179.788 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 49' ' ' GLU . . . . . . . . . . . . . 4.6 tp10 -70.51 -28.03 64.65 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.291 -0.413 . . . . 70.14 110.84 -179.94 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 50' ' ' GLU . . . . . . . . . . . . . 6.3 tt0 -73.21 -48.73 32.62 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.189 -0.46 . . . . 62.22 110.898 -179.862 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 51' ' ' LEU . . . . . 0.778 HD22 ' HB3' ' A' ' 40' ' ' LEU . 4.4 pp -71.17 -33.05 69.65 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.103 -0.499 . . . . 44.2 110.887 -179.979 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 52' ' ' PHE . . . . . 0.501 ' N ' HD12 ' B' ' 51' ' ' LEU . 69.8 t80 -64.56 -29.55 70.57 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 121.031 0.443 . . . . 75.04 110.932 179.901 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 53' ' ' LYS . . . . . . . . . . . . . 7.8 mmtp -60.7 -55.86 28.19 Favored 'General case' 0 C--N 1.33 -0.283 0 CA-C-N 116.205 -0.452 . . . . 75.04 110.89 179.921 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 54' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -75.17 -41.54 57.82 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.244 -0.434 . . . . 73.43 110.887 179.98 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 55' ' ' ALA . . . . . . . . . . . . . . . -62.69 -25.14 68.01 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.182 -0.463 . . . . 63.22 111.058 179.836 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 56' ' ' GLU . . . . . . . . . . . . . 3.9 tt0 -53.33 -25.2 14.2 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.202 -0.453 . . . . 63.12 110.902 -179.917 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 57' ' ' GLU . . . . . . . . . . . . . 18.0 tt0 -76.36 -55.4 5.59 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.153 -0.476 . . . . 64.42 110.861 -179.9 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 58' ' ' ARG . . . . . 0.424 ' HD3' ' HG ' ' B' ' 59' ' ' LEU . 0.0 OUTLIER -68.54 -11.06 59.4 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.174 -0.466 . . . . 75.14 110.878 -179.915 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' B' B ' 59' ' ' LEU . . . . . 0.708 HD13 ' HB2' ' B' ' 9' ' ' ALA . 11.6 mt -100.63 -64.43 1.05 Allowed 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 116.192 -0.458 . . . . 73.25 110.986 179.997 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 60' ' ' LYS . . . . . . . . . . . . . 13.0 mmtp -88.64 -68.55 0.76 Allowed 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.197 -0.456 . . . . 75.35 110.927 179.82 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 61' ' ' LYS . . . . . . . . . . . . . 2.0 tmtt? 179.61 -60.28 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.167 -0.47 . . . . 74.1 110.906 179.815 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 62' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER . . . . . 0 C--N 1.329 -0.312 0 CA-C-N 116.194 -0.457 . . . . 64.42 110.887 179.927 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 101' ' ' HLT . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 015 nuclear build full ' A' A ' 1' ' ' MET . . . . . 0.481 ' HA ' HD21 ' A' ' 59' ' ' LEU . 11.1 ttp . . . . . 0 C--O 1.232 0.152 0 CA-C-O 120.841 0.353 . . . . 62.01 110.888 . . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -114.27 -74.4 0.62 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.312 -0.404 . . . . 73.51 110.897 179.955 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -145.06 -74.89 0.23 Allowed 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.222 -0.444 . . . . 75.33 110.931 179.879 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 4' ' ' LEU . . . . . 0.773 ' O ' HD22 ' A' ' 4' ' ' LEU . 0.0 OUTLIER -140.93 4.74 1.9 Allowed 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.227 -0.442 . . . . 74.12 110.906 179.931 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 5' ' ' ARG . . . . . 0.445 ' N ' HD13 ' A' ' 4' ' ' LEU . 3.5 mtt-85 -72.01 -30.45 65.24 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.188 -0.46 . . . . 63.51 110.846 179.956 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 6' ' ' GLU . . . . . 0.43 ' CA ' HD23 ' A' ' 59' ' ' LEU . 0.1 OUTLIER -55.29 -26.63 41.53 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.211 -0.45 . . . . 64.24 110.918 -179.968 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 18.5 pt-20 -53.74 -32.17 51.21 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.117 -0.492 . . . . 74.21 110.89 -179.924 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -74.9 -28.27 60.56 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.165 -0.471 . . . . 62.32 111.123 179.918 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 9' ' ' ALA . . . . . 0.553 ' CB ' ' HB1' ' A' ' 55' ' ' ALA . . . -74.2 -38.0 63.73 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.194 -0.457 . . . . 41.31 111.102 179.922 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 1.6 mtpt -62.37 -30.45 71.2 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.28 -0.418 . . . . 70.15 110.896 179.957 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 60.4 mt -51.92 -44.66 63.95 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.222 -0.444 . . . . 73.54 110.885 179.925 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 22.5 m-85 -74.09 -27.07 60.71 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.232 -0.44 . . . . 73.4 110.891 179.891 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -54.01 -33.11 56.27 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.202 -0.453 . . . . 73.14 110.842 -179.886 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 12.4 mt-10 -69.22 -35.7 76.45 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.172 -0.467 . . . . 74.1 110.926 -179.962 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 15' ' ' TRP . . . . . 0.711 ' HB3' ' HB2' ' A' ' 48' ' ' ALA . 4.2 t90 -64.74 -43.82 92.1 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.202 -0.454 . . . . 74.45 110.905 -179.985 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 5.3 ptmt -77.25 -28.17 53.5 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.286 -0.416 . . . . 72.23 110.879 179.918 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 19.3 mmtt -74.97 -54.62 6.88 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.187 -0.461 . . . . 54.43 110.921 179.904 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 21.6 mt -54.78 -33.61 61.6 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.192 -0.458 . . . . 54.33 110.952 179.904 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 19' ' ' ALA . . . . . 0.473 ' HB2' ' HB3' ' A' ' 44' ' ' ALA . . . -65.94 -26.85 67.77 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.189 -0.46 . . . . 74.04 111.085 179.829 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 1.4 tp10 -73.48 -49.4 26.91 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.206 -0.452 . . . . 70.25 110.923 -179.961 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 2.0 mm-40 -73.07 -49.65 27.39 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.164 -0.471 . . . . 60.02 110.906 -179.957 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -55.6 -30.67 61.3 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.162 -0.472 . . . . 73.05 111.161 179.907 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -71.1 -54.26 11.72 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.183 -0.462 . . . . 75.2 111.084 179.958 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 1.4 ptpp? -63.06 -34.47 77.65 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.255 -0.429 . . . . 75.52 110.871 179.981 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 25' ' ' LEU . . . . . 0.44 HD23 ' HA ' ' A' ' 25' ' ' LEU . 6.4 mt -76.79 -39.18 52.38 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.265 -0.425 . . . . 62.43 110.897 179.95 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 2.8 mt -50.69 -49.32 57.7 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.169 -0.469 . . . . 41.31 110.945 179.893 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 23.9 mt-10 -91.39 13.19 18.19 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.233 -0.44 . . . . 73.41 110.847 179.939 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . -73.9 60.51 2.15 Favored Glycine 0 N--CA 1.451 -0.336 0 C-N-CA 120.778 -0.725 . . . . 52.1 112.534 179.989 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . 51.71 39.82 47.32 Favored Glycine 0 N--CA 1.451 -0.339 0 C-N-CA 120.777 -0.725 . . . . 43.1 112.468 -179.911 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . -90.29 -51.21 2.8 Favored Glycine 0 N--CA 1.45 -0.38 0 C-N-CA 120.711 -0.757 . . . . 64.33 112.539 -179.921 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . -158.84 -47.6 0.01 OUTLIER Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 120.736 -0.745 . . . . 24.12 112.438 -179.924 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . -173.49 -110.75 0.25 Allowed Glycine 0 N--CA 1.451 -0.316 0 C-N-CA 120.753 -0.737 . . . . 72.24 112.517 -179.921 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . 74.32 116.65 0.09 OUTLIER Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 120.693 -0.765 . . . . 34.31 112.541 -179.854 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 169.49 85.16 0.06 OUTLIER Glycine 0 N--CA 1.451 -0.341 0 C-N-CA 120.706 -0.759 . . . . 74.33 112.458 -179.874 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 143.59 -132.52 4.98 Favored Glycine 0 N--CA 1.452 -0.285 0 C-N-CA 120.691 -0.766 . . . . 74.33 112.485 -179.865 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -71.09 -35.79 71.97 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-O 120.849 0.356 . . . . 72.43 110.849 -179.842 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 37' ' ' LEU . . . . . 0.749 HD13 ' HG ' ' B' ' 54' ' ' LEU . 13.1 tp -52.39 -56.67 13.4 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.146 -0.479 . . . . 74.42 110.934 179.992 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 38' ' ' MET . . . . . . . . . . . . . 1.0 OUTLIER -70.54 -25.56 63.16 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.16 -0.473 . . . . 50.55 110.892 179.844 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 6.3 tttp -54.12 -28.09 37.51 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.279 -0.419 . . . . 75.24 110.885 179.943 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 40' ' ' LEU . . . . . 0.544 ' HB2' HD21 ' B' ' 51' ' ' LEU . 13.1 mt -70.46 -31.34 68.45 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.211 -0.449 . . . . 60.1 110.911 179.921 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 41' ' ' CYS . . . . . . . . . . . . . 19.0 m -75.04 -45.42 41.75 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.165 -0.47 . . . . 65.11 110.872 179.92 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 4.6 tt0 -56.69 -25.66 54.68 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.248 -0.433 . . . . 71.53 110.868 -179.846 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 4.7 mm-40 -54.71 -33.97 61.73 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.196 -0.456 . . . . 44.23 110.9 -179.92 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 44' ' ' ALA . . . . . 0.649 ' HB1' ' CD1' ' A' ' 15' ' ' TRP . . . -51.61 -42.11 61.75 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.171 -0.468 . . . . 72.41 111.106 179.897 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -75.27 -22.85 57.49 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.157 -0.474 . . . . 63.33 111.095 179.95 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -74.49 -47.89 30.53 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.223 -0.444 . . . . 71.11 110.921 179.932 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 1.1 mptp? -59.82 -57.18 14.03 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.182 -0.463 . . . . 63.43 110.852 179.908 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 48' ' ' ALA . . . . . 0.711 ' HB2' ' HB3' ' A' ' 15' ' ' TRP . . . -51.91 -34.89 43.51 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.282 -0.417 . . . . 70.31 111.042 179.839 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 4.0 tt0 -65.13 -44.33 89.03 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.199 -0.455 . . . . 54.12 110.9 -179.865 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 17.9 mm-40 -74.07 -35.13 64.23 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.125 -0.489 . . . . 72.3 110.901 -179.918 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 51' ' ' LEU . . . . . 0.558 HD21 ' HB2' ' B' ' 40' ' ' LEU . 9.2 mt -72.64 -34.1 67.05 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.116 -0.493 . . . . 73.23 110.862 -179.959 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 52' ' ' PHE . . . . . . . . . . . . . 84.2 t80 -55.69 -27.98 53.16 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.152 -0.476 . . . . 75.2 110.897 179.953 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -53.48 -46.76 70.1 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.167 -0.469 . . . . 74.23 110.949 179.942 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 54' ' ' LEU . . . . . 0.496 ' HG ' HD13 ' B' ' 37' ' ' LEU . 1.6 mm? -71.89 -29.39 64.29 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.212 -0.449 . . . . 62.33 110.88 179.891 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 55' ' ' ALA . . . . . 0.553 ' HB1' ' CB ' ' A' ' 9' ' ' ALA . . . -54.24 -28.67 42.96 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.158 -0.474 . . . . 75.51 111.133 179.836 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 3.2 mm-40 -77.14 -31.29 55.58 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.237 -0.438 . . . . 63.33 110.878 -179.919 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -60.78 -44.54 96.65 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.159 -0.473 . . . . 74.21 110.935 -179.971 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -79.29 -25.62 42.4 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.136 -0.484 . . . . 73.21 110.901 -179.964 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 59' ' ' LEU . . . . . 0.483 HD13 ' C ' ' A' ' 59' ' ' LEU . 3.4 tm? -84.03 -73.64 0.41 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.117 -0.492 . . . . 54.14 110.926 -179.999 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -103.49 -174.85 2.64 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.174 -0.466 . . . . 75.15 110.909 179.831 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 8.1 ttpt -98.62 -25.52 14.69 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.214 -0.448 . . . . 74.53 110.915 179.858 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER . . . . . 0 C--N 1.328 -0.356 0 CA-C-N 116.219 -0.446 . . . . 74.05 110.904 179.894 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 1' ' ' MET . . . . . 0.502 ' N ' HD11 ' B' ' 59' ' ' LEU . 11.1 ttp . . . . . 0 C--O 1.231 0.083 0 CA-C-O 120.901 0.381 . . . . 74.42 110.865 . . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 2' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -114.24 -74.4 0.62 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.162 -0.472 . . . . 74.33 110.847 179.969 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 3' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -146.06 -74.58 0.22 Allowed 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.311 -0.404 . . . . 75.12 110.9 179.902 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 4' ' ' LEU . . . . . 0.771 HD22 ' O ' ' B' ' 4' ' ' LEU . 0.0 OUTLIER -140.71 4.86 1.95 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.25 -0.432 . . . . 72.3 110.877 179.946 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' B' B ' 5' ' ' ARG . . . . . 0.44 ' N ' HD13 ' B' ' 4' ' ' LEU . 3.5 mtt-85 -72.04 -29.88 64.62 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.195 -0.457 . . . . 75.31 110.828 179.973 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 6' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -54.88 -26.96 39.11 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.219 -0.446 . . . . 72.2 110.867 -179.964 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 7' ' ' GLU . . . . . . . . . . . . . 18.8 pt-20 -54.01 -32.61 54.76 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.107 -0.497 . . . . 71.22 110.869 -179.913 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 8' ' ' ALA . . . . . . . . . . . . . . . -74.74 -26.81 60.04 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.151 -0.477 . . . . 71.51 111.092 179.92 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 9' ' ' ALA . . . . . 0.596 ' CB ' ' HB1' ' B' ' 55' ' ' ALA . . . -73.6 -38.96 64.94 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.265 -0.425 . . . . 72.04 111.122 179.955 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 10' ' ' LYS . . . . . . . . . . . . . 1.6 mtpt -63.11 -29.81 71.1 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.176 -0.465 . . . . 72.11 110.906 179.933 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 11' ' ' LEU . . . . . . . . . . . . . 61.0 mt -51.67 -44.11 62.93 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.252 -0.431 . . . . 72.52 110.957 179.872 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 12' ' ' PHE . . . . . 0.587 ' O ' ' HB1' ' B' ' 48' ' ' ALA . 25.3 m-85 -74.21 -30.5 62.23 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.191 -0.459 . . . . 73.22 110.91 179.873 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 13' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -57.89 -42.21 84.16 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.134 -0.485 . . . . 61.34 110.912 -179.949 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 14' ' ' GLU . . . . . . . . . . . . . 12.7 mt-10 -75.22 -29.99 60.44 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.142 -0.481 . . . . 74.25 110.83 -179.93 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 15' ' ' TRP . . . . . . . . . . . . . 1.3 m0 -60.98 -46.15 91.93 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.216 -0.447 . . . . 73.53 110.947 -179.922 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 16' ' ' LYS . . . . . 0.72 ' HB3' ' HB3' ' B' ' 48' ' ' ALA . 5.1 ptmt -77.11 -25.32 52.05 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.222 -0.444 . . . . 74.42 110.852 179.901 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 17' ' ' LYS . . . . . . . . . . . . . 18.0 mmtt -71.7 -52.37 18.15 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.278 -0.419 . . . . 74.43 110.896 179.936 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 18' ' ' LEU . . . . . . . . . . . . . 19.7 mt -55.16 -32.62 62.28 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.236 -0.438 . . . . 73.34 110.928 179.889 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 19' ' ' ALA . . . . . 0.5 ' HB2' ' HB3' ' B' ' 44' ' ' ALA . . . -62.86 -21.86 66.28 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.219 -0.446 . . . . 62.35 111.178 179.75 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 20' ' ' GLU . . . . . . . . . . . . . 1.4 tp10 -73.02 -49.43 28.85 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.182 -0.463 . . . . 53.15 110.95 -179.973 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 21' ' ' GLU . . . . . . . . . . . . . 2.0 mm-40 -72.27 -49.21 36.6 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.118 -0.492 . . . . 73.13 110.925 -179.947 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 22' ' ' ALA . . . . . . . . . . . . . . . -56.39 -30.92 63.34 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.065 -0.516 . . . . 70.12 111.163 179.873 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 23' ' ' ALA . . . . . . . . . . . . . . . -70.96 -54.22 12.08 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.186 -0.461 . . . . 62.45 111.033 179.937 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 24' ' ' LYS . . . . . . . . . . . . . 1.4 ptpp? -62.74 -34.97 78.3 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.253 -0.43 . . . . 53.23 110.889 -179.996 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 25' ' ' LEU . . . . . 0.434 HD23 ' HA ' ' B' ' 25' ' ' LEU . 6.7 mt -76.51 -39.06 54.14 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.249 -0.432 . . . . 55.23 110.974 179.885 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 26' ' ' LEU . . . . . . . . . . . . . 2.7 mt -50.72 -49.07 58.57 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.173 -0.467 . . . . 71.12 110.915 179.92 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 27' ' ' GLU . . . . . . . . . . . . . 23.9 mt-10 -91.37 13.09 18.44 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.236 -0.438 . . . . 75.31 110.912 179.893 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 28' ' ' GLY . . . . . . . . . . . . . . . -73.9 60.62 2.15 Favored Glycine 0 N--CA 1.451 -0.332 0 C-N-CA 120.696 -0.764 . . . . 61.55 112.573 -179.958 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 29' ' ' GLY . . . . . . . . . . . . . . . 52.03 39.7 49.64 Favored Glycine 0 N--CA 1.451 -0.352 0 C-N-CA 120.704 -0.76 . . . . 34.14 112.467 -179.974 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 30' ' ' GLY . . . . . . . . . . . . . . . -90.34 -48.89 3.39 Favored Glycine 0 N--CA 1.451 -0.33 0 C-N-CA 120.8 -0.714 . . . . 54.54 112.469 -179.838 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 31' ' ' GLY . . . . . . . . . . . . . . . -156.67 -46.42 0.01 OUTLIER Glycine 0 N--CA 1.452 -0.296 0 C-N-CA 120.699 -0.763 . . . . 20.21 112.454 -179.93 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 32' ' ' GLY . . . . . . . . . . . . . . . -172.82 -111.92 0.27 Allowed Glycine 0 N--CA 1.451 -0.325 0 C-N-CA 120.694 -0.765 . . . . 74.23 112.445 -179.884 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 33' ' ' GLY . . . . . . . . . . . . . . . 73.46 116.84 0.07 OUTLIER Glycine 0 N--CA 1.451 -0.33 0 C-N-CA 120.753 -0.737 . . . . 72.42 112.562 -179.856 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 34' ' ' GLY . . . . . . . . . . . . . . . 169.57 84.53 0.06 OUTLIER Glycine 0 N--CA 1.451 -0.348 0 C-N-CA 120.758 -0.734 . . . . 35.23 112.469 -179.83 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 35' ' ' GLY . . . . . . . . . . . . . . . 142.72 -132.1 4.93 Favored Glycine 0 N--CA 1.45 -0.385 0 C-N-CA 120.726 -0.75 . . . . 62.22 112.431 -179.951 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 36' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -70.71 -34.74 72.26 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-O 120.917 0.389 . . . . 65.44 110.877 -179.837 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 37' ' ' LEU . . . . . 0.496 HD13 ' HG ' ' A' ' 54' ' ' LEU . 13.1 tp -52.08 -55.06 23.14 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.12 -0.491 . . . . 71.13 110.939 179.995 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 38' ' ' MET . . . . . . . . . . . . . 1.0 OUTLIER -69.72 -26.37 64.3 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.187 -0.46 . . . . 71.43 110.931 179.818 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 39' ' ' LYS . . . . . . . . . . . . . 6.2 tttp -55.19 -29.02 57.06 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.2 -0.454 . . . . 73.1 110.884 179.871 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 40' ' ' LEU . . . . . 0.558 ' HB2' HD21 ' A' ' 51' ' ' LEU . 13.3 mt -72.27 -26.76 62.11 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.223 -0.444 . . . . 73.14 110.966 179.962 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 41' ' ' CYS . . . . . . . . . . . . . 13.5 m -75.26 -43.58 50.61 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.187 -0.46 . . . . 65.23 110.839 179.873 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 42' ' ' GLU . . . . . . . . . . . . . 4.6 tt0 -55.69 -25.3 39.13 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.22 -0.445 . . . . 74.34 110.837 -179.842 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 43' ' ' GLU . . . . . . . . . . . . . 4.5 mm-40 -54.38 -33.41 59.16 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.154 -0.475 . . . . 70.1 110.851 -179.851 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 44' ' ' ALA . . . . . 0.5 ' HB3' ' HB2' ' B' ' 19' ' ' ALA . . . -51.41 -42.52 61.52 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.153 -0.476 . . . . 73.33 111.051 179.961 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 45' ' ' ALA . . . . . . . . . . . . . . . -75.47 -22.94 56.84 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.257 -0.429 . . . . 64.12 111.108 179.976 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 46' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -78.04 -49.51 13.87 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.25 -0.432 . . . . 75.25 110.961 179.919 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 47' ' ' LYS . . . . . . . . . . . . . 1.1 mptp? -55.73 -61.17 2.54 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.263 -0.426 . . . . 71.12 110.822 179.835 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 48' ' ' ALA . . . . . 0.72 ' HB3' ' HB3' ' B' ' 16' ' ' LYS . . . -54.62 -34.33 61.92 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.294 -0.412 . . . . 64.31 111.142 179.859 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 49' ' ' GLU . . . . . . . . . . . . . 3.9 tt0 -66.89 -43.0 84.58 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.215 -0.448 . . . . 71.12 110.823 -179.864 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 50' ' ' GLU . . . . . . . . . . . . . 18.0 mm-40 -73.03 -36.16 66.91 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.191 -0.459 . . . . 74.45 110.852 -179.911 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 51' ' ' LEU . . . . . 0.544 HD21 ' HB2' ' A' ' 40' ' ' LEU . 7.6 mt -72.97 -30.57 63.93 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.222 -0.445 . . . . 65.33 110.965 179.977 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 52' ' ' PHE . . . . . . . . . . . . . 82.1 t80 -57.12 -23.91 50.39 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.173 -0.467 . . . . 75.52 110.887 179.943 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 53' ' ' LYS . . . . . 0.575 ' HD2' HD22 ' B' ' 54' ' ' LEU . 0.1 OUTLIER -66.43 -47.94 71.59 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.178 -0.465 . . . . 74.43 110.961 179.912 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' B' B ' 54' ' ' LEU . . . . . 0.749 ' HG ' HD13 ' A' ' 37' ' ' LEU . 1.3 mm? -69.29 -25.59 64.32 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.259 -0.428 . . . . 74.33 110.932 179.864 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 55' ' ' ALA . . . . . 0.596 ' HB1' ' CB ' ' B' ' 9' ' ' ALA . . . -55.35 -26.95 44.06 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.207 -0.451 . . . . 75.11 111.078 179.762 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 56' ' ' GLU . . . . . . . . . . . . . 3.2 mm-40 -76.46 -30.85 57.49 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.205 -0.452 . . . . 74.32 110.872 -179.895 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 57' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -60.57 -44.62 95.99 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.168 -0.469 . . . . 73.54 110.872 -179.931 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 58' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -79.39 -25.67 42.1 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.154 -0.475 . . . . 64.21 110.857 -179.899 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 59' ' ' LEU . . . . . 0.502 HD11 ' N ' ' B' ' 1' ' ' MET . 3.4 tm? -83.93 -73.36 0.42 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.19 -0.459 . . . . 74.42 110.933 -179.942 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 60' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -103.66 -174.77 2.62 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.165 -0.47 . . . . 70.05 110.848 179.839 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 61' ' ' LYS . . . . . . . . . . . . . 8.1 ttpt -98.33 -25.45 14.83 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.203 -0.453 . . . . 74.04 110.832 179.886 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 62' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER . . . . . 0 C--N 1.328 -0.357 0 CA-C-N 116.243 -0.435 . . . . 74.21 110.914 179.962 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 101' ' ' HLT . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 016 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 0.9 OUTLIER . . . . . 0 C--O 1.231 0.079 0 CA-C-O 120.837 0.351 . . . . 71.31 110.827 . . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 4.0 pttt -174.29 162.06 3.57 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.183 -0.462 . . . . 75.15 110.946 179.966 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -137.32 -74.42 0.42 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.229 -0.441 . . . . 75.34 110.838 179.866 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 4' ' ' LEU . . . . . 0.77 ' O ' HD22 ' A' ' 4' ' ' LEU . 0.0 OUTLIER -140.51 4.57 1.97 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.282 -0.417 . . . . 72.15 110.916 179.982 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 5' ' ' ARG . . . . . 0.453 ' N ' HD13 ' A' ' 4' ' ' LEU . 97.4 mtt180 -71.59 -38.63 70.87 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.218 -0.447 . . . . 75.05 110.868 179.945 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 6' ' ' GLU . . . . . 0.819 ' HA ' HD22 ' A' ' 59' ' ' LEU . 0.2 OUTLIER -53.63 -27.95 30.07 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.148 -0.478 . . . . 71.44 110.845 -179.894 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 16.9 mt-10 -53.81 -34.09 58.08 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.183 -0.462 . . . . 60.12 110.903 -179.959 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -76.12 -26.99 56.91 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.201 -0.454 . . . . 52.32 111.064 179.966 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 9' ' ' ALA . . . . . 0.828 ' HB2' HD13 ' A' ' 59' ' ' LEU . . . -57.17 -42.26 80.8 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.183 -0.462 . . . . 52.02 111.063 179.974 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 11.8 mttm -55.88 -34.66 65.71 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.177 -0.465 . . . . 53.24 110.871 -179.998 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 35.5 mt -52.1 -43.73 64.07 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.258 -0.428 . . . . 64.1 110.946 179.939 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 21.6 m-85 -74.13 -24.66 59.47 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.185 -0.461 . . . . 74.31 110.913 179.912 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -53.58 -35.01 60.35 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.076 -0.511 . . . . 75.12 110.959 -179.975 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 5.9 mt-10 -63.87 -33.86 76.65 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.111 -0.495 . . . . 71.03 110.872 -179.923 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 15' ' ' TRP . . . . . 0.59 ' HB3' ' HB2' ' A' ' 48' ' ' ALA . 2.8 t90 -65.09 -47.55 76.84 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.108 -0.496 . . . . 72.13 110.889 -179.962 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 4.9 ptmt -75.52 -27.37 58.69 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.209 -0.451 . . . . 64.43 110.861 179.983 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER -75.17 -58.5 3.25 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.278 -0.419 . . . . 54.24 110.924 179.875 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 18' ' ' LEU . . . . . 0.435 HD12 ' F2 ' ' A' ' 101' ' ' HLT . 17.0 mt -55.68 -26.0 42.66 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.272 -0.422 . . . . 74.33 110.905 179.915 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 19' ' ' ALA . . . . . 0.71 ' HB1' ' HB2' ' A' ' 45' ' ' ALA . . . -71.86 -25.74 62.07 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.141 -0.481 . . . . 72.15 111.047 179.801 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 1.2 mt-10 -73.44 -49.29 27.68 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.262 -0.426 . . . . 75.55 110.871 -179.87 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 2.6 mm-40 -72.92 -51.14 19.7 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.157 -0.474 . . . . 64.22 110.874 -179.927 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -54.25 -30.63 51.05 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.14 -0.482 . . . . 65.11 111.095 179.949 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -70.82 -54.26 12.23 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.248 -0.433 . . . . 74.14 111.143 179.873 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 6.1 ptmm? -63.91 -33.84 76.62 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.196 -0.456 . . . . 72.23 110.9 179.931 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 5.6 mt -76.68 -39.89 50.66 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.228 -0.442 . . . . 75.21 110.962 179.901 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 3.1 mt -50.76 -49.8 57.2 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.186 -0.461 . . . . 73.51 110.905 179.889 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 24.8 mt-10 -90.96 12.47 19.52 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.241 -0.436 . . . . 71.53 110.832 179.954 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . -58.59 -15.21 24.62 Favored Glycine 0 N--CA 1.451 -0.341 0 C-N-CA 120.726 -0.75 . . . . 63.35 112.507 -179.952 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . 140.02 49.99 0.05 OUTLIER Glycine 0 N--CA 1.452 -0.267 0 C-N-CA 120.755 -0.736 . . . . 32.24 112.515 -179.904 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . -94.15 46.88 2.21 Favored Glycine 0 N--CA 1.452 -0.295 0 C-N-CA 120.808 -0.71 . . . . 62.03 112.542 -179.949 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . 52.03 -167.46 0.82 Allowed Glycine 0 N--CA 1.451 -0.346 0 C-N-CA 120.758 -0.734 . . . . 75.43 112.504 -179.879 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . -126.09 122.66 4.54 Favored Glycine 0 N--CA 1.451 -0.31 0 C-N-CA 120.77 -0.729 . . . . 74.13 112.498 -179.94 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -179.57 32.74 0.06 OUTLIER Glycine 0 N--CA 1.451 -0.308 0 C-N-CA 120.743 -0.741 . . . . 41.21 112.55 -179.974 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 34' ' ' GLY . . . . . 0.633 ' HA3' HD23 ' A' ' 37' ' ' LEU . . . -159.19 -65.29 0.01 OUTLIER Glycine 0 N--CA 1.452 -0.279 0 C-N-CA 120.755 -0.736 . . . . 52.24 112.492 -179.913 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 74.55 -87.25 0.72 Allowed Glycine 0 N--CA 1.45 -0.378 0 C-N-CA 120.713 -0.756 . . . . 65.12 112.483 -179.931 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 29.0 tt0 -57.78 -20.26 34.05 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.884 0.373 . . . . 72.42 110.873 -179.909 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 37' ' ' LEU . . . . . 0.64 HD13 ' NH2' ' B' ' 58' ' ' ARG . 0.4 OUTLIER -50.85 -27.73 8.01 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.197 -0.456 . . . . 73.23 110.94 179.979 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 38' ' ' MET . . . . . . . . . . . . . 0.6 OUTLIER -61.75 -38.94 89.83 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.235 -0.439 . . . . 74.42 110.895 179.82 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 8.6 tttt -56.63 -27.96 59.5 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.173 -0.467 . . . . 74.21 110.933 179.924 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 3.7 mt -73.99 -39.75 63.43 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.207 -0.451 . . . . 53.2 110.977 179.884 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 41' ' ' CYS . . . . . . . . . . . . . 17.2 m -72.52 -35.37 68.07 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.154 -0.476 . . . . 61.4 110.834 179.935 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -63.71 -25.46 68.21 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.191 -0.459 . . . . 64.22 110.884 -179.835 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 2.3 mt-10 -54.49 -40.88 68.94 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.215 -0.448 . . . . 70.24 110.87 -179.948 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 44' ' ' ALA . . . . . 0.468 ' HB2' ' CZ3' ' B' ' 15' ' ' TRP . . . -51.4 -42.47 61.45 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.162 -0.472 . . . . 63.32 111.163 179.875 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 45' ' ' ALA . . . . . 0.71 ' HB2' ' HB1' ' A' ' 19' ' ' ALA . . . -75.55 -22.77 56.76 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.185 -0.461 . . . . 62.12 111.092 179.984 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 3.9 tttt -76.23 -46.61 27.35 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.192 -0.458 . . . . 75.42 110.875 179.979 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 7.2 mmpt? -54.14 -55.03 31.69 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.19 -0.459 . . . . 72.23 110.887 179.89 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 48' ' ' ALA . . . . . 0.59 ' HB2' ' HB3' ' A' ' 15' ' ' TRP . . . -54.95 -37.99 67.17 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.19 -0.459 . . . . 73.42 111.089 179.849 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 1.1 tp10 -61.22 -40.07 92.62 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.204 -0.453 . . . . 74.2 110.874 -179.946 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 4.3 mt-10 -73.96 -43.74 57.2 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.194 -0.457 . . . . 73.35 110.903 -179.923 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 4.1 mt -62.88 -57.49 10.65 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.124 -0.489 . . . . 65.41 110.939 -179.946 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 52' ' ' PHE . . . . . . . . . . . . . 33.2 t80 -55.3 -29.4 58.16 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.162 -0.472 . . . . 74.14 110.904 179.869 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 7.7 tptp -54.55 -59.18 5.04 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.175 -0.466 . . . . 64.3 110.959 179.958 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 54' ' ' LEU . . . . . . . . . . . . . 4.4 mm? -75.57 -25.57 57.18 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.278 -0.419 . . . . 63.52 110.922 179.879 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -56.01 -31.5 63.12 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.123 -0.49 . . . . 53.51 111.081 179.814 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 56' ' ' GLU . . . . . 0.451 ' HB2' HD11 ' A' ' 62' ' ' LEU . 1.4 mt-10 -61.9 -28.54 69.59 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.203 -0.453 . . . . 71.02 110.894 -179.93 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 71.7 tt0 -73.51 -46.41 48.02 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.165 -0.47 . . . . 71.45 110.895 -179.932 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -79.57 -13.16 59.72 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.176 -0.465 . . . . 74.23 110.878 -179.969 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 59' ' ' LEU . . . . . 0.828 HD13 ' HB2' ' A' ' 9' ' ' ALA . 46.7 mt -106.72 -6.9 17.53 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.179 -0.464 . . . . 74.23 110.912 -179.943 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -146.14 -165.58 2.25 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.172 -0.467 . . . . 74.24 110.919 179.903 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 13.8 tttt -93.36 -54.01 3.85 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.251 -0.431 . . . . 61.4 110.894 179.786 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 62' ' ' LEU . . . . . 0.451 HD11 ' HB2' ' A' ' 56' ' ' GLU . 12.4 mt . . . . . 0 C--N 1.329 -0.318 0 CA-C-N 116.239 -0.437 . . . . 72.21 110.965 -179.971 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 1' ' ' MET . . . . . . . . . . . . . 0.9 OUTLIER . . . . . 0 C--O 1.231 0.083 0 CA-C-O 120.826 0.346 . . . . 72.32 110.885 . . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 2' ' ' LYS . . . . . . . . . . . . . 4.0 pttt -174.19 161.83 3.6 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.213 -0.449 . . . . 75.33 110.904 179.958 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 3' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -137.55 -74.55 0.41 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.185 -0.462 . . . . 62.12 110.851 179.842 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' B' B ' 4' ' ' LEU . . . . . 0.773 HD22 ' O ' ' B' ' 4' ' ' LEU . 0.0 OUTLIER -140.32 4.49 2.01 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.197 -0.456 . . . . 73.5 110.902 179.994 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' B' B ' 5' ' ' ARG . . . . . 0.469 ' HB3' HD23 ' B' ' 59' ' ' LEU . 97.3 mtt180 -71.42 -38.55 71.4 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.219 -0.446 . . . . 53.05 110.877 179.953 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' B' B ' 6' ' ' GLU . . . . . 0.828 ' HA ' HD22 ' B' ' 59' ' ' LEU . 0.3 OUTLIER -53.48 -27.92 27.89 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.142 -0.481 . . . . 71.43 110.938 -179.966 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' B' B ' 7' ' ' GLU . . . . . . . . . . . . . 16.9 mt-10 -53.72 -34.23 58.2 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.104 -0.498 . . . . 63.04 110.921 -179.964 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 8' ' ' ALA . . . . . . . . . . . . . . . -75.58 -26.97 58.35 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.144 -0.48 . . . . 52.41 111.074 179.983 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 9' ' ' ALA . . . . . 0.808 ' HB2' HD13 ' B' ' 59' ' ' LEU . . . -57.49 -42.33 82.5 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.255 -0.429 . . . . 54.3 111.132 179.97 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' B' B ' 10' ' ' LYS . . . . . . . . . . . . . 12.0 mttm -55.95 -33.96 65.23 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.294 -0.412 . . . . 74.51 110.934 179.92 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 11' ' ' LEU . . . . . . . . . . . . . 41.5 mt -51.67 -42.87 62.46 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.212 -0.449 . . . . 74.44 110.996 179.868 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 12' ' ' PHE . . . . . 0.544 ' CE1' HD13 ' B' ' 51' ' ' LEU . 24.8 m-85 -74.22 -29.0 61.51 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.16 -0.473 . . . . 75.5 110.952 179.887 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' B' B ' 13' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -58.6 -46.46 86.95 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.07 -0.514 . . . . 61.21 110.877 -179.925 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' B' B ' 14' ' ' GLU . . . . . . . . . . . . . 6.3 mt-10 -75.17 -27.99 59.9 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.175 -0.466 . . . . 74.25 110.84 -179.94 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 15' ' ' TRP . . . . . 0.468 ' CZ3' ' HB2' ' A' ' 44' ' ' ALA . 2.6 m0 -55.84 -55.36 33.42 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.178 -0.465 . . . . 72.52 110.895 -179.89 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' B' B ' 16' ' ' LYS . . . . . 0.711 ' HB3' ' HB3' ' B' ' 48' ' ' ALA . 4.8 ptmt -71.78 -19.64 61.98 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.186 -0.461 . . . . 75.35 110.929 179.972 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' B' B ' 17' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -70.75 -53.79 14.19 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.176 -0.465 . . . . 63.5 110.88 179.907 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' B' B ' 18' ' ' LEU . . . . . . . . . . . . . 21.8 mt -55.8 -26.28 45.53 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.215 -0.448 . . . . 61.11 110.946 179.9 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 19' ' ' ALA . . . . . . . . . . . . . . . -72.98 -25.65 61.07 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.206 -0.452 . . . . 52.32 111.103 179.775 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 20' ' ' GLU . . . . . . . . . . . . . 1.1 mt-10 -73.19 -49.35 28.53 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.234 -0.439 . . . . 72.02 110.905 -179.933 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 21' ' ' GLU . . . . . . . . . . . . . 2.6 mm-40 -72.71 -51.16 20.43 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.137 -0.483 . . . . 70.22 110.972 179.995 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 22' ' ' ALA . . . . . . . . . . . . . . . -54.25 -30.64 51.16 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.119 -0.492 . . . . 71.51 111.109 179.933 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 23' ' ' ALA . . . . . . . . . . . . . . . -70.81 -54.23 12.38 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.197 -0.456 . . . . 64.21 111.124 179.881 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 24' ' ' LYS . . . . . . . . . . . . . 6.1 ptmm? -64.01 -33.87 76.73 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.168 -0.469 . . . . 65.41 110.912 179.943 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 25' ' ' LEU . . . . . 0.429 HD23 ' HA ' ' B' ' 25' ' ' LEU . 5.7 mt -76.7 -39.64 51.34 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.229 -0.441 . . . . 64.42 110.938 179.896 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' B' B ' 26' ' ' LEU . . . . . . . . . . . . . 3.0 mt -50.66 -50.18 55.28 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.231 -0.44 . . . . 72.41 110.95 179.876 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 27' ' ' GLU . . . . . . . . . . . . . 23.9 mt-10 -90.98 12.11 20.72 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.197 -0.456 . . . . 53.13 110.857 179.924 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 28' ' ' GLY . . . . . . . . . . . . . . . -58.91 -15.03 26.34 Favored Glycine 0 N--CA 1.45 -0.411 0 C-N-CA 120.768 -0.729 . . . . 70.24 112.54 -179.951 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 29' ' ' GLY . . . . . . . . . . . . . . . 135.74 42.72 0.11 Allowed Glycine 0 N--CA 1.452 -0.267 0 C-N-CA 120.729 -0.748 . . . . 72.01 112.483 -179.919 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 30' ' ' GLY . . . . . . . . . . . . . . . -101.75 54.83 0.76 Allowed Glycine 0 N--CA 1.451 -0.33 0 C-N-CA 120.697 -0.763 . . . . 62.43 112.442 -179.905 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 31' ' ' GLY . . . . . . . . . . . . . . . 58.95 -143.58 45.43 Favored Glycine 0 N--CA 1.452 -0.3 0 C-N-CA 120.777 -0.725 . . . . 63.33 112.431 -179.925 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 32' ' ' GLY . . . . . . . . . . . . . . . -100.75 119.52 6.55 Favored Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 120.732 -0.747 . . . . 53.53 112.461 -179.873 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 33' ' ' GLY . . . . . 0.434 ' O ' HD21 ' B' ' 37' ' ' LEU . . . 174.21 34.24 0.04 OUTLIER Glycine 0 N--CA 1.452 -0.275 0 C-N-CA 120.717 -0.754 . . . . 63.05 112.525 -179.886 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' B' B ' 34' ' ' GLY . . . . . . . . . . . . . . . -149.03 -92.43 0.1 Allowed Glycine 0 N--CA 1.451 -0.361 0 C-N-CA 120.719 -0.753 . . . . 44.33 112.54 -179.894 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 35' ' ' GLY . . . . . . . . . . . . . . . 50.66 -124.84 20.95 Favored Glycine 0 N--CA 1.451 -0.31 0 C-N-CA 120.713 -0.756 . . . . 72.14 112.5 -179.963 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 36' ' ' GLU . . . . . . . . . . . . . 32.3 tt0 -76.39 -25.29 54.41 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-O 120.904 0.383 . . . . 70.13 110.867 -179.889 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 37' ' ' LEU . . . . . 0.531 ' O ' HD12 ' B' ' 37' ' ' LEU . 0.3 OUTLIER -60.65 -22.8 64.23 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.102 -0.499 . . . . 75.23 110.93 -179.963 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' B' B ' 38' ' ' MET . . . . . . . . . . . . . 0.6 OUTLIER -55.21 -25.89 35.91 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.246 -0.434 . . . . 71.23 110.844 179.881 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' B' B ' 39' ' ' LYS . . . . . . . . . . . . . 8.8 tttt -53.64 -27.93 30.05 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.234 -0.439 . . . . 71.45 110.889 179.949 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 40' ' ' LEU . . . . . . . . . . . . . 3.7 mt -71.21 -36.12 71.78 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.217 -0.447 . . . . 61.45 110.89 179.947 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 41' ' ' CYS . . . . . . . . . . . . . 14.6 m -71.66 -34.26 69.58 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.212 -0.449 . . . . 72.41 110.867 179.941 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 42' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -59.54 -24.9 64.08 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.213 -0.449 . . . . 62.24 110.901 -179.869 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' B' B ' 43' ' ' GLU . . . . . . . . . . . . . 2.4 mt-10 -54.06 -37.43 64.17 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.126 -0.488 . . . . 64.51 110.843 -179.956 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 44' ' ' ALA . . . . . 0.604 ' HB1' 'CL ' ' A' ' 101' ' ' HLT . . . -51.44 -42.81 61.79 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.173 -0.467 . . . . 65.34 111.059 179.958 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' B' B ' 45' ' ' ALA . . . . . . . . . . . . . . . -75.59 -22.79 56.6 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.237 -0.438 . . . . 62.25 111.164 179.953 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 46' ' ' LYS . . . . . . . . . . . . . 3.9 tttt -78.06 -43.28 29.7 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.168 -0.469 . . . . 75.22 111.005 179.83 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 47' ' ' LYS . . . . . . . . . . . . . 7.3 mmpt? -54.66 -56.63 17.12 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.242 -0.435 . . . . 75.11 110.85 179.879 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 48' ' ' ALA . . . . . 0.711 ' HB3' ' HB3' ' B' ' 16' ' ' LYS . . . -56.8 -38.46 72.59 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.211 -0.449 . . . . 73.31 111.076 179.847 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' B' B ' 49' ' ' GLU . . . . . . . . . . . . . 1.1 tp10 -62.84 -41.57 99.4 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.189 -0.459 . . . . 71.4 110.895 -179.931 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 50' ' ' GLU . . . . . . . . . . . . . 4.4 mt-10 -74.11 -42.86 59.4 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.153 -0.476 . . . . 70.23 110.888 -179.92 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 51' ' ' LEU . . . . . 0.544 HD13 ' CE1' ' B' ' 12' ' ' PHE . 3.5 mt -62.14 -51.06 69.4 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.161 -0.472 . . . . 71.43 110.958 179.978 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' B' B ' 52' ' ' PHE . . . . . . . . . . . . . 33.1 t80 -53.94 -31.29 49.9 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.165 -0.471 . . . . 74.22 110.853 179.943 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 53' ' ' LYS . . . . . . . . . . . . . 8.0 tptp -56.51 -59.68 4.64 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.182 -0.463 . . . . 60.23 110.888 -179.975 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 54' ' ' LEU . . . . . . . . . . . . . 4.4 mm? -75.54 -24.08 56.7 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.263 -0.426 . . . . 62.04 110.928 179.884 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 55' ' ' ALA . . . . . . . . . . . . . . . -56.97 -32.6 66.22 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.199 -0.455 . . . . 62.22 111.116 179.796 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 56' ' ' GLU . . . . . 0.46 ' HB2' HD11 ' B' ' 62' ' ' LEU . 1.4 mt-10 -59.9 -28.16 67.34 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.197 -0.456 . . . . 65.03 110.869 -179.846 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' B' B ' 57' ' ' GLU . . . . . . . . . . . . . 71.9 tt0 -73.42 -46.88 45.94 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.147 -0.479 . . . . 71.32 110.882 -179.95 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 58' ' ' ARG . . . . . 0.64 ' NH2' HD13 ' A' ' 37' ' ' LEU . 0.1 OUTLIER -79.52 -12.83 59.85 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.148 -0.478 . . . . 74.04 110.919 -179.968 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' B' B ' 59' ' ' LEU . . . . . 0.828 HD22 ' HA ' ' B' ' 6' ' ' GLU . 40.3 mt -106.61 -7.29 17.47 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.17 -0.468 . . . . 62.13 110.878 -179.984 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' B' B ' 60' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -145.99 -165.48 2.21 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.203 -0.453 . . . . 55.32 110.92 179.804 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' B' B ' 61' ' ' LYS . . . . . . . . . . . . . 13.7 tttt -92.99 -54.49 3.71 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.237 -0.438 . . . . 72.04 110.871 179.943 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 62' ' ' LEU . . . . . 0.46 HD11 ' HB2' ' B' ' 56' ' ' GLU . 12.5 mt . . . . . 0 C--N 1.328 -0.347 0 CA-C-N 116.222 -0.444 . . . . 74.13 110.88 179.869 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 101' ' ' HLT . . . . . 0.604 'CL ' ' HB1' ' B' ' 44' ' ' ALA . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 6.7 mtt . . . . . 0 C--O 1.231 0.088 0 CA-C-O 120.827 0.346 . . . . 72.0 110.929 . . . . . . . . . 0 0 . 1 . 017 nuclear build full ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -153.7 -167.21 2.61 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.228 -0.442 . . . . 75.12 110.929 179.977 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -179.37 -52.17 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.258 -0.428 . . . . 65.31 110.927 179.85 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER 176.91 -31.77 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.176 -0.466 . . . . 71.3 110.875 179.872 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 7.4 mtt180 -68.72 -24.32 64.46 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.186 -0.461 . . . . 54.32 110.854 179.958 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -54.22 -26.91 31.07 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.25 -0.432 . . . . 65.52 110.822 -179.908 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 12.1 mt-10 -54.47 -31.08 55.03 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.212 -0.449 . . . . 73.42 110.844 -179.919 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -73.89 -27.06 60.87 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.238 -0.437 . . . . 71.15 111.101 179.891 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 9' ' ' ALA . . . . . 0.741 ' HB2' HD23 ' A' ' 59' ' ' LEU . . . -58.16 -50.49 73.34 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.225 -0.443 . . . . 72.13 111.097 179.965 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 1.6 mtpp -55.98 -44.28 78.39 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.17 -0.468 . . . . 63.24 110.863 179.991 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 17.9 mt -51.66 -40.58 60.27 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.29 -0.414 . . . . 74.21 110.957 179.896 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 12' ' ' PHE . . . . . 0.601 ' CG ' HD11 ' A' ' 51' ' ' LEU . 24.2 m-85 -74.32 -26.93 60.46 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.198 -0.455 . . . . 54.34 110.892 179.921 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 5.2 tt0 -53.98 -27.75 33.49 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.144 -0.48 . . . . 73.44 110.867 -179.921 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 6.9 mt-10 -73.29 -33.19 65.07 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.136 -0.484 . . . . 70.44 110.812 -179.868 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 15' ' ' TRP . . . . . 0.607 ' CH2' ' HB2' ' B' ' 44' ' ' ALA . 2.9 t90 -64.44 -46.08 84.7 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 116.237 -0.438 . . . . 63.44 110.951 -179.994 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -77.44 -27.93 52.33 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.174 -0.466 . . . . 73.32 110.882 179.924 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 17.1 mmtt -75.23 -62.37 1.58 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.246 -0.434 . . . . 72.45 110.919 179.857 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 3.7 mt -56.5 -24.7 48.01 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.212 -0.449 . . . . 52.02 110.913 179.943 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 19' ' ' ALA . . . . . 0.62 ' HB1' ' HB2' ' A' ' 45' ' ' ALA . . . -72.88 -29.46 63.2 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.156 -0.475 . . . . 70.5 111.124 179.796 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 3.8 tp10 -73.32 -49.75 25.75 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.221 -0.445 . . . . 74.22 110.887 -179.964 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 9.7 pt-20 -57.42 -46.66 83.28 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.16 -0.473 . . . . 72.33 110.915 -179.943 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -63.77 -32.62 74.18 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.114 -0.494 . . . . 71.05 111.096 179.905 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -70.61 -47.99 57.35 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.267 -0.424 . . . . 71.22 111.063 179.97 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -67.2 -36.34 81.53 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.228 -0.442 . . . . 72.12 110.905 -179.997 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 25' ' ' LEU . . . . . 0.437 HD23 ' HA ' ' A' ' 25' ' ' LEU . 10.5 mt -76.54 -37.8 56.08 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.191 -0.459 . . . . 64.43 110.974 179.909 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 4.0 mt -50.51 -49.87 54.5 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.112 -0.495 . . . . 75.15 110.884 179.888 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 40.8 mt-10 -93.55 12.47 25.09 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.224 -0.443 . . . . 70.53 110.92 179.932 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . -59.65 -14.29 28.23 Favored Glycine 0 N--CA 1.45 -0.383 0 C-N-CA 120.724 -0.751 . . . . 73.43 112.52 179.982 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . 135.13 43.66 0.11 Allowed Glycine 0 N--CA 1.45 -0.415 0 C-N-CA 120.775 -0.726 . . . . 64.13 112.517 -179.899 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . -113.52 -84.61 1.32 Allowed Glycine 0 N--CA 1.451 -0.345 0 C-N-CA 120.759 -0.734 . . . . 34.22 112.476 -179.868 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . 161.07 168.45 22.97 Favored Glycine 0 N--CA 1.45 -0.391 0 C-N-CA 120.778 -0.725 . . . . 72.23 112.464 -179.968 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . -159.08 166.98 34.78 Favored Glycine 0 N--CA 1.452 -0.296 0 C-N-CA 120.708 -0.758 . . . . 44.42 112.516 -179.87 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -112.53 117.28 4.29 Favored Glycine 0 N--CA 1.451 -0.305 0 C-N-CA 120.747 -0.739 . . . . 33.23 112.513 -179.948 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 60.37 -125.29 38.27 Favored Glycine 0 N--CA 1.451 -0.304 0 C-N-CA 120.757 -0.735 . . . . 33.31 112.54 -179.855 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . -150.02 -65.46 0.01 OUTLIER Glycine 0 N--CA 1.45 -0.421 0 C-N-CA 120.776 -0.726 . . . . 64.31 112.545 -179.922 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 41.5 tt0 -53.21 -34.88 58.92 Favored 'General case' 0 C--N 1.33 -0.283 0 CA-C-O 120.843 0.354 . . . . 72.44 110.83 -179.88 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 5.9 tp -54.8 -58.13 8.78 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.122 -0.49 . . . . 51.4 110.862 -179.935 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 38' ' ' MET . . . . . . . . . . . . . 14.1 ttm -70.95 -27.3 63.65 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.182 -0.463 . . . . 63.53 110.881 179.828 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 2.5 tttt -54.89 -28.36 49.92 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.284 -0.416 . . . . 72.42 110.916 179.944 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 8.7 mt -54.52 -42.37 70.78 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.233 -0.439 . . . . 75.22 110.863 179.922 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 41' ' ' CYS . . . . . 0.569 ' SG ' HD13 ' B' ' 51' ' ' LEU . 15.6 m -74.84 -41.19 60.35 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.178 -0.465 . . . . 61.11 110.9 179.93 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -55.54 -24.83 34.36 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.161 -0.472 . . . . 75.1 110.887 -179.833 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 1.9 mm-40 -54.5 -24.82 22.12 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.131 -0.486 . . . . 72.32 110.923 179.997 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 44' ' ' ALA . . . . . 0.625 ' HB2' ' CH2' ' B' ' 15' ' ' TRP . . . -51.32 -44.31 61.92 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.135 -0.484 . . . . 52.14 111.091 179.949 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 45' ' ' ALA . . . . . 0.62 ' HB2' ' HB1' ' A' ' 19' ' ' ALA . . . -75.19 -22.98 57.62 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.215 -0.448 . . . . 64.33 111.163 179.934 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 8.0 mttp -76.43 -49.9 15.49 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.181 -0.463 . . . . 75.15 110.85 179.984 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 47' ' ' LYS . . . . . 0.55 ' O ' HD23 ' A' ' 51' ' ' LEU . 7.0 mmtp -70.17 -26.92 64.14 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.24 -0.436 . . . . 74.12 110.923 179.858 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 48' ' ' ALA . . . . . 0.411 ' HB2' ' CG ' ' A' ' 15' ' ' TRP . . . -67.88 -50.19 57.79 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.242 -0.436 . . . . 50.24 111.123 179.824 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 5.7 tt0 -77.27 -27.92 53.33 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.206 -0.452 . . . . 62.12 110.919 -179.994 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 62.1 tt0 -66.61 -51.25 58.39 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.178 -0.465 . . . . 61.22 110.875 -179.905 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 51' ' ' LEU . . . . . 0.601 HD11 ' CG ' ' A' ' 12' ' ' PHE . 2.2 pp -73.31 -36.06 66.19 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.178 -0.464 . . . . 73.23 110.888 -179.952 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 52' ' ' PHE . . . . . . . . . . . . . 75.8 t80 -64.05 -24.44 67.71 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.163 -0.471 . . . . 73.15 110.87 179.952 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -65.69 -59.25 4.11 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.201 -0.454 . . . . 71.54 110.866 179.979 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 54' ' ' LEU . . . . . . . . . . . . . 4.5 mm? -75.12 -24.41 58.04 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.196 -0.456 . . . . 71.25 110.928 179.931 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 55' ' ' ALA . . . . . 0.436 ' O ' HD13 ' A' ' 59' ' ' LEU . . . -55.74 -24.98 38.24 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.127 -0.488 . . . . 72.45 111.07 179.875 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 56' ' ' GLU . . . . . 0.41 ' HB2' HD12 ' A' ' 62' ' ' LEU . 3.6 mt-10 -77.02 -28.6 55.01 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.251 -0.432 . . . . 62.24 110.843 -179.917 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 2.6 tt0 -65.19 -44.07 89.6 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.197 -0.456 . . . . 63.13 110.944 -179.912 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 1.2 mtt180 -78.51 -29.65 46.72 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.086 -0.506 . . . . 71.42 110.915 -179.955 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 59' ' ' LEU . . . . . 0.741 HD23 ' HB2' ' A' ' 9' ' ' ALA . 5.2 mp -77.72 -64.01 1.25 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.2 -0.454 . . . . 74.01 110.962 -179.984 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -116.17 -79.09 0.58 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.244 -0.435 . . . . 70.43 110.952 179.778 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 6.0 ptmt 178.01 -35.63 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.279 -0.419 . . . . 71.12 110.877 179.779 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 62' ' ' LEU . . . . . 0.41 HD12 ' HB2' ' A' ' 56' ' ' GLU . 0.4 OUTLIER . . . . . 0 C--N 1.328 -0.334 0 CA-C-N 116.265 -0.425 . . . . 64.52 110.89 179.887 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' B' B ' 1' ' ' MET . . . . . . . . . . . . . 6.7 mtt . . . . . 0 C--O 1.231 0.102 0 CA-C-O 120.84 0.353 . . . . 71.32 110.847 . . . . . . . . . 0 0 . 1 . 017 nuclear build full ' B' B ' 2' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -153.62 -167.02 2.56 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.213 -0.449 . . . . 71.02 110.937 179.942 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' B' B ' 3' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -179.39 -52.17 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.277 -0.42 . . . . 72.04 110.925 179.854 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' B' B ' 4' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER 176.77 -31.57 0.0 OUTLIER 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.266 -0.425 . . . . 75.01 110.96 179.874 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' B' B ' 5' ' ' ARG . . . . . . . . . . . . . 7.5 mtt180 -68.05 -25.33 65.31 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.209 -0.45 . . . . 73.33 110.89 179.89 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 6' ' ' GLU . . . . . . . . . . . . . 1.1 mt-10 -53.96 -27.88 34.03 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.159 -0.473 . . . . 74.54 110.882 -179.928 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 7' ' ' GLU . . . . . . . . . . . . . 12.0 mt-10 -54.49 -31.06 55.2 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.166 -0.47 . . . . 64.32 110.946 -179.96 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 8' ' ' ALA . . . . . . . . . . . . . . . -73.52 -27.23 61.25 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.229 -0.441 . . . . 73.23 111.105 179.909 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 9' ' ' ALA . . . . . 0.724 ' HB2' HD23 ' B' ' 59' ' ' LEU . . . -58.36 -50.07 74.95 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.259 -0.428 . . . . 60.51 111.055 179.938 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' B' B ' 10' ' ' LYS . . . . . . . . . . . . . 1.5 mtpp -56.26 -43.83 79.12 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.25 -0.432 . . . . 74.31 110.943 179.94 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 11' ' ' LEU . . . . . . . . . . . . . 18.9 mt -51.58 -40.6 60.09 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.236 -0.438 . . . . 50.35 110.907 179.863 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 12' ' ' PHE . . . . . 0.65 ' CG ' HD11 ' B' ' 51' ' ' LEU . 25.6 m-85 -74.29 -27.14 60.59 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.187 -0.46 . . . . 74.4 110.865 179.983 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' B' B ' 13' ' ' GLU . . . . . . . . . . . . . 5.2 tt0 -55.84 -27.68 52.66 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.17 -0.468 . . . . 74.35 110.919 -179.996 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 14' ' ' GLU . . . . . . . . . . . . . 7.3 mt-10 -74.06 -34.97 64.23 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.201 -0.454 . . . . 73.32 110.875 -179.906 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 15' ' ' TRP . . . . . 0.625 ' CH2' ' HB2' ' A' ' 44' ' ' ALA . 5.1 t90 -63.62 -44.98 92.34 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.142 -0.481 . . . . 72.44 110.932 179.972 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' B' B ' 16' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -77.71 -28.58 50.95 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.314 -0.403 . . . . 74.11 110.96 179.903 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' B' B ' 17' ' ' LYS . . . . . . . . . . . . . 16.2 mmtt -74.31 -62.65 1.44 Allowed 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.187 -0.46 . . . . 74.22 110.922 179.766 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 18' ' ' LEU . . . . . 0.442 HD23 ' OE2' ' B' ' 21' ' ' GLU . 4.6 mt -56.33 -24.63 45.09 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.155 -0.475 . . . . 63.44 110.943 179.95 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' B' B ' 19' ' ' ALA . . . . . 0.529 ' HB1' ' HB2' ' B' ' 45' ' ' ALA . . . -73.03 -29.33 62.92 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.184 -0.462 . . . . 62.24 111.012 179.88 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' B' B ' 20' ' ' GLU . . . . . . . . . . . . . 3.8 tp10 -73.42 -49.8 25.11 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.315 -0.402 . . . . 74.44 110.889 -179.919 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 21' ' ' GLU . . . . . 0.442 ' OE2' HD23 ' B' ' 18' ' ' LEU . 9.6 pt-20 -57.05 -46.76 82.2 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 116.137 -0.483 . . . . 63.41 110.915 -179.905 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' B' B ' 22' ' ' ALA . . . . . . . . . . . . . . . -63.84 -32.69 74.28 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.17 -0.468 . . . . 63.51 111.041 179.96 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 23' ' ' ALA . . . . . . . . . . . . . . . -70.58 -48.15 56.71 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.21 -0.45 . . . . 63.02 111.107 179.965 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 24' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -66.95 -36.26 81.82 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.191 -0.459 . . . . 71.31 110.872 179.996 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' B' B ' 25' ' ' LEU . . . . . 0.443 HD23 ' HA ' ' B' ' 25' ' ' LEU . 10.4 mt -76.6 -38.03 55.45 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.182 -0.463 . . . . 75.32 110.916 179.958 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' B' B ' 26' ' ' LEU . . . . . . . . . . . . . 4.0 mt -50.56 -48.96 57.28 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.206 -0.452 . . . . 72.32 110.954 179.87 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 27' ' ' GLU . . . . . . . . . . . . . 41.9 mt-10 -93.52 12.54 24.79 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.153 -0.476 . . . . 74.41 110.877 179.9 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 28' ' ' GLY . . . . . . . . . . . . . . . -59.81 -14.13 28.62 Favored Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.716 -0.754 . . . . 63.32 112.467 -179.942 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 29' ' ' GLY . . . . . . . . . . . . . . . 135.99 43.82 0.1 Allowed Glycine 0 N--CA 1.452 -0.294 0 C-N-CA 120.676 -0.773 . . . . 64.32 112.507 -179.906 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 30' ' ' GLY . . . . . . . . . . . . . . . -113.27 -82.43 1.14 Allowed Glycine 0 N--CA 1.451 -0.343 0 C-N-CA 120.699 -0.762 . . . . 73.34 112.475 -179.868 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 31' ' ' GLY . . . . . . . . . . . . . . . 162.01 165.71 19.44 Favored Glycine 0 N--CA 1.451 -0.34 0 C-N-CA 120.76 -0.733 . . . . 74.44 112.474 -179.925 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 32' ' ' GLY . . . . . . . . . . . . . . . -160.67 167.61 35.86 Favored Glycine 0 N--CA 1.452 -0.28 0 C-N-CA 120.755 -0.735 . . . . 42.33 112.495 -179.945 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 33' ' ' GLY . . . . . . . . . . . . . . . -112.43 117.5 4.37 Favored Glycine 0 N--CA 1.452 -0.285 0 C-N-CA 120.763 -0.732 . . . . 73.5 112.499 -179.931 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 34' ' ' GLY . . . . . . . . . . . . . . . 60.8 -125.05 37.31 Favored Glycine 0 N--CA 1.451 -0.331 0 C-N-CA 120.719 -0.753 . . . . 63.15 112.499 -179.898 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 35' ' ' GLY . . . . . . . . . . . . . . . -149.28 -65.76 0.01 OUTLIER Glycine 0 N--CA 1.452 -0.294 0 C-N-CA 120.75 -0.738 . . . . 53.32 112.495 -179.933 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 36' ' ' GLU . . . . . . . . . . . . . 41.5 tt0 -53.11 -34.48 56.89 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-O 120.876 0.37 . . . . 74.14 110.919 -179.903 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 37' ' ' LEU . . . . . . . . . . . . . 6.0 tp -54.93 -56.95 13.96 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.17 -0.468 . . . . 74.31 110.898 -179.977 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 38' ' ' MET . . . . . . . . . . . . . 14.4 ttm -69.77 -26.8 64.46 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.176 -0.465 . . . . 74.11 110.925 179.781 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 39' ' ' LYS . . . . . . . . . . . . . 2.7 tttt -54.2 -28.1 38.5 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.185 -0.461 . . . . 72.33 110.843 -179.96 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 40' ' ' LEU . . . . . . . . . . . . . 8.6 mt -54.37 -41.27 68.99 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.299 -0.41 . . . . 51.54 110.916 179.875 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 41' ' ' CYS . . . . . . . . . . . . . 12.3 m -73.61 -44.5 56.93 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.177 -0.465 . . . . 73.04 110.927 179.897 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 42' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -56.05 -24.48 39.95 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.163 -0.471 . . . . 72.45 110.904 -179.856 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' B' B ' 43' ' ' GLU . . . . . . . . . . . . . 1.9 mm-40 -54.07 -25.32 21.04 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.13 -0.486 . . . . 63.14 110.954 -179.986 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 44' ' ' ALA . . . . . 0.607 ' HB2' ' CH2' ' A' ' 15' ' ' TRP . . . -51.38 -45.48 62.46 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.126 -0.488 . . . . 74.12 111.058 179.915 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' B' B ' 45' ' ' ALA . . . . . 0.529 ' HB2' ' HB1' ' B' ' 19' ' ' ALA . . . -75.29 -23.0 57.31 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.224 -0.444 . . . . 41.41 111.084 -179.992 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' B' B ' 46' ' ' LYS . . . . . . . . . . . . . 8.0 mttp -75.67 -50.8 14.35 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.209 -0.451 . . . . 62.25 110.984 179.938 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 47' ' ' LYS . . . . . 0.526 ' O ' HD23 ' B' ' 51' ' ' LEU . 7.0 mmtp -67.67 -28.33 67.61 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.233 -0.44 . . . . 72.33 110.93 179.805 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' B' B ' 48' ' ' ALA . . . . . 0.402 ' HB2' ' CG ' ' B' ' 15' ' ' TRP . . . -68.53 -49.6 58.34 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.245 -0.434 . . . . 74.11 111.079 179.803 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' B' B ' 49' ' ' GLU . . . . . . . . . . . . . 5.7 tt0 -77.07 -27.93 54.44 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.226 -0.443 . . . . 74.3 110.937 -179.931 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 50' ' ' GLU . . . . . . . . . . . . . 61.8 tt0 -66.63 -51.4 56.64 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.151 -0.477 . . . . 65.03 110.837 -179.905 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 51' ' ' LEU . . . . . 0.65 HD11 ' CG ' ' B' ' 12' ' ' PHE . 2.0 pp -73.54 -35.14 65.49 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.157 -0.474 . . . . 70.14 110.942 -179.97 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' B' B ' 52' ' ' PHE . . . . . . . . . . . . . 76.4 t80 -62.29 -24.26 67.19 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.157 -0.474 . . . . 72.12 110.903 179.91 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 53' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -64.24 -59.46 4.38 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.133 -0.485 . . . . 74.54 110.874 179.923 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' B' B ' 54' ' ' LEU . . . . . . . . . . . . . 4.5 mm? -75.21 -23.99 57.7 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.213 -0.449 . . . . 72.23 110.92 179.889 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 55' ' ' ALA . . . . . 0.451 ' O ' HD13 ' B' ' 59' ' ' LEU . . . -55.98 -24.74 40.46 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.204 -0.453 . . . . 71.24 111.156 179.812 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' B' B ' 56' ' ' GLU . . . . . 0.407 ' HB2' HD12 ' B' ' 62' ' ' LEU . 3.3 mt-10 -78.0 -28.41 49.24 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.228 -0.442 . . . . 75.41 110.85 -179.907 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' B' B ' 57' ' ' GLU . . . . . . . . . . . . . 2.6 tt0 -65.36 -44.75 86.68 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.224 -0.444 . . . . 74.2 110.925 -179.967 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 58' ' ' ARG . . . . . . . . . . . . . 1.6 ptt180 -77.98 -29.3 49.63 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.094 -0.503 . . . . 72.24 110.864 -179.916 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 59' ' ' LEU . . . . . 0.724 HD23 ' HB2' ' B' ' 9' ' ' ALA . 5.1 mp -77.96 -64.43 1.16 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.197 -0.456 . . . . 71.41 110.924 -179.981 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' B' B ' 60' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -115.93 -79.28 0.58 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.13 -0.487 . . . . 71.52 110.872 179.86 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' B' B ' 61' ' ' LYS . . . . . . . . . . . . . 6.1 ptmt 178.0 -34.57 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.195 -0.457 . . . . 70.4 110.891 179.902 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 62' ' ' LEU . . . . . 0.407 HD12 ' HB2' ' B' ' 56' ' ' GLU . 0.4 OUTLIER . . . . . 0 C--N 1.329 -0.311 0 CA-C-N 116.286 -0.415 . . . . 73.4 110.896 179.862 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 101' ' ' HLT . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 018 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.231 0.104 0 CA-C-O 120.907 0.384 . . . . 64.12 110.873 . . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 59.37 179.0 0.08 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.218 -0.446 . . . . 73.22 110.915 -179.985 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -173.86 -37.02 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.262 -0.426 . . . . 72.42 110.91 179.858 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 1.4 pp -81.5 -25.65 35.81 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.169 -0.469 . . . . 72.31 110.906 179.945 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 25.4 mtt85 -68.93 -24.32 64.27 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.194 -0.457 . . . . 72.22 110.908 179.968 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -53.68 -26.78 24.27 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.141 -0.481 . . . . 53.25 110.871 -179.924 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 2.9 pp20? -53.1 -36.53 60.82 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.121 -0.491 . . . . 72.15 110.925 -179.965 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -74.51 -26.55 60.07 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.106 -0.497 . . . . 33.42 111.111 179.896 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 9' ' ' ALA . . . . . 0.733 ' HB2' HD13 ' A' ' 59' ' ' LEU . . . -55.55 -44.4 76.74 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.264 -0.426 . . . . 62.11 111.06 179.995 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 24.9 mtpt -55.49 -42.66 74.73 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.262 -0.426 . . . . 42.35 110.942 179.932 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 14.2 mt -52.72 -40.62 63.2 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.153 -0.476 . . . . 74.13 110.923 179.92 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 12' ' ' PHE . . . . . 0.542 ' HE2' HD13 ' A' ' 51' ' ' LEU . 3.0 m-30 -74.24 -24.65 59.33 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.186 -0.461 . . . . 73.45 110.947 179.865 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -53.61 -32.14 49.96 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.15 -0.477 . . . . 64.14 110.873 -179.943 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 14' ' ' GLU . . . . . 0.743 ' O ' HD12 ' A' ' 18' ' ' LEU . 5.3 mt-10 -75.39 -35.79 61.0 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.123 -0.489 . . . . 72.54 110.915 -179.921 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 15' ' ' TRP . . . . . 0.524 ' CH2' ' HB2' ' B' ' 44' ' ' ALA . 6.2 t-105 -52.22 -50.54 61.75 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.142 -0.481 . . . . 70.44 110.997 179.975 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -77.38 -15.18 59.5 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.205 -0.452 . . . . 72.33 110.855 179.919 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 1.2 tptt -72.82 -57.1 4.33 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.243 -0.435 . . . . 73.53 110.898 179.858 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 18' ' ' LEU . . . . . 0.743 HD12 ' O ' ' A' ' 14' ' ' GLU . 1.8 mp -54.59 -29.96 53.09 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.222 -0.444 . . . . 73.14 110.919 179.992 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 19' ' ' ALA . . . . . 0.646 ' HB2' ' HB3' ' A' ' 44' ' ' ALA . . . -66.32 -27.48 67.94 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.222 -0.445 . . . . 64.44 111.162 179.722 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -73.7 -49.43 25.78 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.197 -0.456 . . . . 72.5 110.887 -179.886 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 1.6 mm-40 -73.11 -50.79 20.84 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.112 -0.495 . . . . 74.22 110.864 -179.94 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -56.1 -22.83 30.37 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.244 -0.435 . . . . 72.15 111.074 179.914 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 23' ' ' ALA . . . . . 0.433 ' HB2' ' O ' ' A' ' 19' ' ' ALA . . . -75.67 -54.8 6.4 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.221 -0.445 . . . . 73.33 111.133 179.947 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -66.59 -29.99 70.17 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.255 -0.429 . . . . 64.2 110.902 179.905 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 25' ' ' LEU . . . . . 0.644 HD13 HD21 ' B' ' 11' ' ' LEU . 5.4 mt -77.86 -41.85 35.45 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.283 -0.417 . . . . 60.14 110.926 179.935 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 26' ' ' LEU . . . . . 0.523 HD22 ' HG3' ' A' ' 38' ' ' MET . 5.1 mt -50.78 -49.48 58.14 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.185 -0.461 . . . . 70.33 110.887 179.941 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 44.1 mt-10 -90.02 11.88 19.32 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.211 -0.449 . . . . 72.13 110.918 179.897 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . -55.24 -17.99 12.54 Favored Glycine 0 N--CA 1.451 -0.362 0 C-N-CA 120.772 -0.728 . . . . 75.53 112.484 -179.951 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . 164.04 38.27 0.02 OUTLIER Glycine 0 N--CA 1.45 -0.376 0 C-N-CA 120.736 -0.745 . . . . 71.15 112.46 -179.962 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . -150.94 90.64 0.13 Allowed Glycine 0 N--CA 1.451 -0.305 0 C-N-CA 120.758 -0.734 . . . . 55.14 112.445 -179.88 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . -73.69 76.85 0.97 Allowed Glycine 0 N--CA 1.45 -0.375 0 C-N-CA 120.751 -0.738 . . . . 75.21 112.5 -179.927 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . 106.85 148.79 15.49 Favored Glycine 0 N--CA 1.452 -0.247 0 C-N-CA 120.699 -0.762 . . . . 24.44 112.473 -179.899 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -132.2 -97.2 0.68 Allowed Glycine 0 N--CA 1.45 -0.369 0 C-N-CA 120.809 -0.71 . . . . 74.43 112.482 -179.945 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 34' ' ' GLY . . . . . 0.469 ' H ' HD21 ' A' ' 37' ' ' LEU . . . -101.72 -23.5 9.32 Favored Glycine 0 N--CA 1.45 -0.392 0 C-N-CA 120.76 -0.734 . . . . 51.44 112.505 -179.914 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 153.75 -125.04 1.67 Allowed Glycine 0 N--CA 1.451 -0.304 0 C-N-CA 120.792 -0.718 . . . . 75.13 112.527 -179.879 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 27.3 tp10 -77.35 -21.36 53.48 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-O 120.849 0.357 . . . . 73.43 110.876 -179.908 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 37' ' ' LEU . . . . . 0.598 HD23 ' H ' ' A' ' 38' ' ' MET . 1.5 pt? -50.18 -30.55 11.67 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.157 -0.474 . . . . 72.43 110.872 -179.96 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 38' ' ' MET . . . . . 0.598 ' H ' HD23 ' A' ' 37' ' ' LEU . 27.0 ttm -69.86 -51.12 35.98 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.163 -0.471 . . . . 61.11 110.91 179.848 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 10.1 tttt -65.7 -27.67 68.51 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.206 -0.452 . . . . 72.23 110.919 179.969 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 1.8 mt -53.75 -36.2 62.06 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.177 -0.465 . . . . 72.31 110.919 179.908 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 41' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -75.34 -53.74 8.23 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.15 -0.477 . . . . 44.31 110.883 179.882 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 9.3 tm-20 -53.25 -24.96 12.6 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.21 -0.45 . . . . 64.34 110.892 -179.883 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 2.1 mt-10 -59.88 -18.13 42.22 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.197 -0.456 . . . . 73.12 110.873 -179.95 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 44' ' ' ALA . . . . . 0.665 ' HB2' ' CZ3' ' B' ' 15' ' ' TRP . . . -50.89 -50.2 57.74 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.171 -0.468 . . . . 75.3 111.097 179.922 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -69.31 -22.86 63.75 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.28 -0.418 . . . . 71.15 111.097 179.965 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -76.24 -52.7 9.48 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.185 -0.461 . . . . 71.35 110.926 179.937 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 7.8 mmtm -73.33 -24.47 60.37 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.198 -0.456 . . . . 73.54 110.913 179.827 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -59.5 -50.81 72.48 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.201 -0.454 . . . . 60.02 111.079 179.853 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -67.9 -27.82 66.98 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.268 -0.424 . . . . 71.35 110.824 -179.881 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -74.04 -49.01 26.14 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.179 -0.464 . . . . 63.24 110.867 -179.836 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 51' ' ' LEU . . . . . 0.542 HD13 ' HE2' ' A' ' 12' ' ' PHE . 3.6 pp -73.35 -41.25 63.68 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.189 -0.46 . . . . 72.25 110.942 179.985 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 52' ' ' PHE . . . . . 0.505 ' HA ' ' HB3' ' A' ' 55' ' ' ALA . 74.9 t80 -53.48 -27.74 26.84 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.144 -0.48 . . . . 73.23 110.898 179.982 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -51.72 -60.74 2.82 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.174 -0.466 . . . . 74.44 110.896 179.907 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 54' ' ' LEU . . . . . . . . . . . . . 4.5 mm? -77.45 -27.08 52.02 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.206 -0.452 . . . . 71.44 110.908 179.956 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 55' ' ' ALA . . . . . 0.505 ' HB3' ' HA ' ' A' ' 52' ' ' PHE . . . -53.63 -37.13 62.77 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.159 -0.473 . . . . 74.21 111.102 179.845 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 56' ' ' GLU . . . . . 0.405 ' CB ' HD12 ' A' ' 62' ' ' LEU . 3.2 pt-20 -67.31 -26.47 66.53 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.175 -0.466 . . . . 75.53 110.885 -179.919 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 6.4 tp10 -68.75 -50.23 52.22 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.142 -0.481 . . . . 71.32 110.919 -179.929 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -78.9 -13.67 59.67 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.06 -0.518 . . . . 75.43 110.858 -179.893 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 59' ' ' LEU . . . . . 0.733 HD13 ' HB2' ' A' ' 9' ' ' ALA . 34.6 mt -93.38 -68.62 0.79 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.233 -0.439 . . . . 74.33 110.866 -179.971 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -119.7 -81.99 0.64 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.206 -0.452 . . . . 74.44 110.902 179.902 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 179.18 -68.92 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.214 -0.448 . . . . 72.32 110.846 179.803 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 62' ' ' LEU . . . . . 0.405 HD12 ' CB ' ' A' ' 56' ' ' GLU . 17.9 mt . . . . . 0 C--N 1.328 -0.335 0 CA-C-N 116.193 -0.458 . . . . 63.13 110.923 179.932 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 1' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.232 0.172 0 CA-C-O 120.787 0.327 . . . . 71.31 110.818 . . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 2' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 59.59 179.31 0.08 Allowed 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.232 -0.44 . . . . 72.33 110.89 179.928 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' B' B ' 3' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -173.83 -37.11 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.203 -0.453 . . . . 62.42 110.921 179.853 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' B' B ' 4' ' ' LEU . . . . . . . . . . . . . 1.4 pp -81.38 -25.68 36.08 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.183 -0.462 . . . . 71.23 110.899 179.93 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 5' ' ' ARG . . . . . . . . . . . . . 26.0 mtt85 -69.54 -24.69 63.76 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.178 -0.464 . . . . 70.41 110.895 179.977 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 6' ' ' GLU . . . . . 0.479 ' HA ' HD22 ' B' ' 59' ' ' LEU . 0.1 OUTLIER -53.64 -27.92 30.04 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.168 -0.469 . . . . 74.22 110.853 -179.924 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' B' B ' 7' ' ' GLU . . . . . . . . . . . . . 2.9 pp20? -53.74 -35.68 61.49 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.118 -0.492 . . . . 74.24 110.925 -179.941 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 8' ' ' ALA . . . . . . . . . . . . . . . -74.71 -26.81 60.07 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.107 -0.497 . . . . 73.33 111.099 179.931 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 9' ' ' ALA . . . . . 0.911 ' HB2' HD13 ' B' ' 59' ' ' LEU . . . -56.7 -45.56 81.73 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.213 -0.448 . . . . 61.44 111.065 179.954 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' B' B ' 10' ' ' LYS . . . . . . . . . . . . . 24.9 mtpt -55.83 -41.53 74.4 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.183 -0.462 . . . . 62.53 110.918 -179.992 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 11' ' ' LEU . . . . . 0.644 HD21 HD13 ' A' ' 25' ' ' LEU . 18.2 mt -51.81 -44.61 63.56 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.266 -0.425 . . . . 52.13 110.926 179.885 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' B' B ' 12' ' ' PHE . . . . . . . . . . . . . 5.0 m-85 -74.24 -21.92 59.57 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.133 -0.485 . . . . 73.34 110.903 179.928 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 13' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -60.69 -49.35 77.87 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.146 -0.479 . . . . 73.35 110.832 -179.872 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' B' B ' 14' ' ' GLU . . . . . 0.648 ' O ' HD12 ' B' ' 18' ' ' LEU . 7.3 mt-10 -64.75 -34.76 79.09 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.152 -0.476 . . . . 62.33 110.919 -179.912 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' B' B ' 15' ' ' TRP . . . . . 0.665 ' CZ3' ' HB2' ' A' ' 44' ' ' ALA . 9.8 t-105 -52.7 -53.8 42.51 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.179 -0.464 . . . . 72.34 110.894 -179.971 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' B' B ' 16' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -78.37 -14.78 59.24 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.202 -0.454 . . . . 74.45 110.901 179.92 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' B' B ' 17' ' ' LYS . . . . . . . . . . . . . 1.5 tptt -68.31 -62.87 1.2 Allowed 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.239 -0.437 . . . . 72.42 110.924 179.885 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 18' ' ' LEU . . . . . 0.73 HD13 HD11 ' A' ' 18' ' ' LEU . 3.7 mp -56.28 -29.2 60.85 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.193 -0.458 . . . . 64.3 110.888 179.919 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' B' B ' 19' ' ' ALA . . . . . 0.647 ' CB ' ' HB2' ' B' ' 45' ' ' ALA . . . -67.99 -14.94 63.36 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.187 -0.461 . . . . 73.13 111.119 179.769 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' B' B ' 20' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -71.31 -49.18 45.37 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.236 -0.438 . . . . 64.2 110.904 -179.95 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' B' B ' 21' ' ' GLU . . . . . . . . . . . . . 1.6 mm-40 -66.86 -51.59 53.71 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.135 -0.484 . . . . 64.42 110.875 -179.922 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 22' ' ' ALA . . . . . 0.445 ' O ' HD12 ' B' ' 26' ' ' LEU . . . -58.95 -22.98 61.02 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.166 -0.47 . . . . 73.23 111.054 179.93 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' B' B ' 23' ' ' ALA . . . . . . . . . . . . . . . -76.33 -54.79 6.26 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.249 -0.432 . . . . 51.32 111.129 179.971 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 24' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -65.17 -30.72 71.66 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.187 -0.461 . . . . 73.0 110.899 179.981 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' B' B ' 25' ' ' LEU . . . . . . . . . . . . . 6.8 mt -77.88 -41.7 35.83 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.21 -0.45 . . . . 72.15 110.872 179.938 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 26' ' ' LEU . . . . . 0.583 HD13 ' HA ' ' B' ' 39' ' ' LYS . 2.6 mt -50.81 -48.6 59.68 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.211 -0.449 . . . . 32.54 110.89 179.939 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' B' B ' 27' ' ' GLU . . . . . . . . . . . . . 45.5 mt-10 -91.04 12.7 18.97 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.197 -0.456 . . . . 74.24 110.871 179.926 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 28' ' ' GLY . . . . . . . . . . . . . . . -54.19 -18.76 10.03 Favored Glycine 0 N--CA 1.451 -0.323 0 C-N-CA 120.693 -0.765 . . . . 24.23 112.466 -179.957 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 29' ' ' GLY . . . . . . . . . . . . . . . 168.42 46.53 0.03 OUTLIER Glycine 0 N--CA 1.452 -0.247 0 C-N-CA 120.704 -0.76 . . . . 64.43 112.46 -179.954 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 30' ' ' GLY . . . . . . . . . . . . . . . -146.79 90.8 0.15 Allowed Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.767 -0.73 . . . . 63.22 112.5 -179.93 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 31' ' ' GLY . . . . . . . . . . . . . . . -84.61 52.02 4.64 Favored Glycine 0 N--CA 1.452 -0.3 0 C-N-CA 120.748 -0.739 . . . . 52.23 112.466 -179.927 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 32' ' ' GLY . . . . . . . . . . . . . . . 85.92 115.83 0.88 Allowed Glycine 0 N--CA 1.451 -0.303 0 C-N-CA 120.691 -0.766 . . . . 43.43 112.551 -179.907 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 33' ' ' GLY . . . . . . . . . . . . . . . -174.94 -113.75 0.34 Allowed Glycine 0 N--CA 1.451 -0.31 0 C-N-CA 120.74 -0.743 . . . . 73.34 112.439 -179.858 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 34' ' ' GLY . . . . . . . . . . . . . . . -112.24 23.78 15.45 Favored Glycine 0 N--CA 1.452 -0.298 0 C-N-CA 120.681 -0.771 . . . . 54.43 112.421 -179.876 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 35' ' ' GLY . . . . . 0.585 ' C ' HD23 ' B' ' 37' ' ' LEU . . . -158.15 -38.94 0.02 OUTLIER Glycine 0 N--CA 1.453 -0.205 0 C-N-CA 120.722 -0.752 . . . . 42.33 112.464 -179.957 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' B' B ' 36' ' ' GLU . . . . . . . . . . . . . 33.0 tp10 -51.67 -26.4 9.09 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.842 0.353 . . . . 74.11 110.856 -179.853 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 37' ' ' LEU . . . . . 0.585 HD23 ' C ' ' B' ' 35' ' ' GLY . 2.3 pt? -52.15 -26.36 11.18 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.138 -0.483 . . . . 73.41 110.879 -179.955 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' B' B ' 38' ' ' MET . . . . . 0.583 ' HG2' HD21 ' B' ' 26' ' ' LEU . 33.2 ttm -56.74 -22.56 36.47 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.22 -0.445 . . . . 73.34 110.949 179.816 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' B' B ' 39' ' ' LYS . . . . . 0.583 ' HA ' HD13 ' B' ' 26' ' ' LEU . 10.7 tttt -52.02 -26.31 10.51 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.189 -0.459 . . . . 63.01 110.896 179.95 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' B' B ' 40' ' ' LEU . . . . . . . . . . . . . 1.8 mt -51.77 -33.06 33.52 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.191 -0.459 . . . . 74.54 110.918 179.946 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 41' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -75.54 -36.99 60.34 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.221 -0.445 . . . . 64.13 110.865 179.913 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' B' B ' 42' ' ' GLU . . . . . . . . . . . . . 9.1 tm-20 -52.73 -24.06 7.97 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.159 -0.473 . . . . 72.12 110.935 -179.849 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 43' ' ' GLU . . . . . . . . . . . . . 2.2 mt-10 -54.54 -21.17 9.45 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.174 -0.466 . . . . 65.53 110.87 -179.948 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 44' ' ' ALA . . . . . 0.524 ' HB2' ' CH2' ' A' ' 15' ' ' TRP . . . -50.61 -46.47 58.04 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.205 -0.452 . . . . 61.45 111.1 179.964 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' B' B ' 45' ' ' ALA . . . . . 0.647 ' HB2' ' CB ' ' B' ' 19' ' ' ALA . . . -71.98 -23.04 61.36 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.225 -0.443 . . . . 54.23 111.103 179.899 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' B' B ' 46' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -66.35 -48.61 69.65 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.22 -0.446 . . . . 65.02 110.858 179.999 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' B' B ' 47' ' ' LYS . . . . . . . . . . . . . 7.8 mmtm -74.15 -30.58 62.34 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.173 -0.467 . . . . 65.32 110.934 179.858 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 48' ' ' ALA . . . . . . . . . . . . . . . -62.35 -44.79 95.66 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.24 -0.436 . . . . 50.02 111.092 179.877 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 49' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -66.83 -28.11 68.09 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.222 -0.444 . . . . 71.03 110.891 -179.947 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' B' B ' 50' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -73.96 -48.96 26.88 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.138 -0.483 . . . . 63.42 110.846 -179.95 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' B' B ' 51' ' ' LEU . . . . . 0.471 HD12 ' N ' ' B' ' 52' ' ' PHE . 4.0 pp -72.86 -33.94 66.42 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.197 -0.456 . . . . 73.42 110.949 -179.954 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' B' B ' 52' ' ' PHE . . . . . 0.471 ' N ' HD12 ' B' ' 51' ' ' LEU . 79.6 t80 -53.86 -27.64 31.2 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.19 -0.459 . . . . 74.24 110.914 179.931 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' B' B ' 53' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -51.99 -59.13 4.7 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.111 -0.495 . . . . 72.12 110.902 179.952 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' B' B ' 54' ' ' LEU . . . . . . . . . . . . . 4.5 mm? -75.29 -23.39 57.38 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.272 -0.422 . . . . 74.04 110.966 179.882 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 55' ' ' ALA . . . . . . . . . . . . . . . -53.93 -35.19 61.42 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.158 -0.474 . . . . 45.11 111.112 179.752 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 56' ' ' GLU . . . . . . . . . . . . . 3.7 pt-20 -68.81 -26.11 65.01 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.162 -0.472 . . . . 73.3 110.934 -179.907 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 57' ' ' GLU . . . . . . . . . . . . . 6.4 tp10 -68.36 -50.03 55.99 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.142 -0.481 . . . . 65.24 110.919 -179.964 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 58' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -78.98 -13.83 59.56 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.147 -0.479 . . . . 74.02 110.837 -179.928 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' B' B ' 59' ' ' LEU . . . . . 0.911 HD13 ' HB2' ' B' ' 9' ' ' ALA . 32.5 mt -93.04 -67.69 0.84 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.217 -0.447 . . . . 74.21 110.926 -179.963 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' B' B ' 60' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -119.27 -81.49 0.63 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.194 -0.457 . . . . 64.34 110.925 179.804 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' B' B ' 61' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 178.49 -69.84 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.203 -0.453 . . . . 54.13 110.919 179.859 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' B' B ' 62' ' ' LEU . . . . . . . . . . . . . 16.2 mt . . . . . 0 C--N 1.328 -0.33 0 CA-C-N 116.256 -0.429 . . . . 62.25 110.918 179.894 . . . . . . . . 0 0 . 1 . 018 nuclear build full ' A' A ' 101' ' ' HLT . . . . . 0.685 'CL ' HD13 ' A' ' 18' ' ' LEU . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 7.6 mtt . . . . . 0 C--O 1.232 0.175 0 CA-C-O 120.799 0.333 . . . . 75.11 110.872 . . . . . . . . . 0 0 . 1 . 019 nuclear build full ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 63.9 158.25 0.08 Allowed 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 116.307 -0.406 . . . . 61.2 110.851 179.957 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -179.65 -34.84 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.132 -0.485 . . . . 75.14 110.894 179.858 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 4.2 mm? -51.39 -64.77 0.71 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.125 -0.489 . . . . 71.14 110.898 179.929 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 5' ' ' ARG . . . . . 0.452 ' C ' HD12 ' A' ' 59' ' ' LEU . 1.7 ptp180 -72.22 -37.87 69.12 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.264 -0.426 . . . . 72.41 110.943 179.947 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 6' ' ' GLU . . . . . 0.518 ' N ' HD12 ' A' ' 59' ' ' LEU . 1.5 tm-20 -53.43 -28.61 30.91 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.191 -0.459 . . . . 65.02 110.912 -179.992 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 1.2 mm-40 -55.54 -30.04 60.04 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.14 -0.482 . . . . 74.23 110.922 179.992 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -76.11 -29.21 57.78 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.125 -0.488 . . . . 72.11 111.157 179.909 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 9' ' ' ALA . . . . . 0.675 ' HB2' ' HG ' ' A' ' 59' ' ' LEU . . . -69.52 -37.14 77.0 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.225 -0.443 . . . . 60.12 111.122 179.904 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 12.6 mtmt -56.19 -26.39 50.59 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.138 -0.483 . . . . 65.11 110.918 179.937 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 65.0 mt -52.27 -45.57 65.49 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.213 -0.449 . . . . 43.23 110.864 -179.97 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 23.5 m-85 -73.48 -27.28 61.31 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.217 -0.447 . . . . 75.11 110.868 179.956 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 1.6 tt0 -58.46 -37.15 74.87 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.159 -0.473 . . . . 65.43 110.834 -179.898 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 8.1 mt-10 -74.93 -34.91 62.18 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.167 -0.469 . . . . 73.21 110.893 -179.926 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 15' ' ' TRP . . . . . . . . . . . . . 19.4 m0 -53.91 -54.86 32.81 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.178 -0.465 . . . . 74.54 110.885 -179.993 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -69.95 -24.42 63.34 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.228 -0.442 . . . . 73.23 110.96 179.903 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -69.85 -52.64 23.2 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.172 -0.467 . . . . 63.54 110.901 179.823 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 4.5 mt -54.93 -35.03 63.77 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.17 -0.468 . . . . 65.32 110.905 179.89 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -61.12 -33.73 73.85 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.225 -0.443 . . . . 74.11 111.084 179.859 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 1.8 mt-10 -57.58 -49.34 76.71 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.233 -0.439 . . . . 73.22 110.838 -179.89 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -73.94 -49.58 24.03 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.142 -0.481 . . . . 54.31 110.879 -179.899 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -55.7 -30.86 61.82 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.122 -0.49 . . . . 52.42 111.099 179.96 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -71.01 -54.23 11.96 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.134 -0.485 . . . . 40.25 111.189 179.892 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -62.94 -34.8 78.25 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.18 -0.464 . . . . 75.53 110.944 179.901 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 25' ' ' LEU . . . . . 0.425 HD23 ' HA ' ' A' ' 25' ' ' LEU . 6.4 mt -76.58 -39.03 53.89 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.218 -0.447 . . . . 61.04 110.984 179.91 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 3.4 mt -50.6 -50.09 54.9 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.137 -0.483 . . . . 45.41 110.886 179.859 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 22.1 mt-10 -91.03 12.26 20.35 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.169 -0.468 . . . . 73.34 110.828 179.989 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . -59.44 -14.46 27.49 Favored Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 120.74 -0.743 . . . . 64.11 112.487 -179.988 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . 135.43 46.01 0.09 OUTLIER Glycine 0 N--CA 1.452 -0.291 0 C-N-CA 120.703 -0.76 . . . . 73.2 112.486 -179.869 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . -173.03 -55.58 0.05 OUTLIER Glycine 0 N--CA 1.452 -0.243 0 C-N-CA 120.738 -0.744 . . . . 61.24 112.489 -179.929 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . -56.22 122.38 27.51 Favored Glycine 0 N--CA 1.452 -0.25 0 C-N-CA 120.714 -0.755 . . . . 34.02 112.499 -179.929 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . -70.99 -119.58 0.05 OUTLIER Glycine 0 N--CA 1.453 -0.227 0 C-N-CA 120.742 -0.742 . . . . 42.35 112.474 -179.946 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . 93.67 -123.65 7.51 Favored Glycine 0 N--CA 1.451 -0.34 0 C-N-CA 120.755 -0.736 . . . . 74.35 112.521 -179.819 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 56.94 89.95 0.01 OUTLIER Glycine 0 N--CA 1.451 -0.339 0 C-N-CA 120.774 -0.727 . . . . 61.24 112.493 -179.877 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 136.7 -168.62 24.16 Favored Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.736 -0.745 . . . . 71.34 112.484 -179.88 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 16.7 tt0 -54.24 -31.69 54.07 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.847 0.356 . . . . 75.42 110.886 -179.858 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 37' ' ' LEU . . . . . 0.549 HD12 HD23 ' B' ' 51' ' ' LEU . 33.1 tp -61.46 -57.81 10.69 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.198 -0.455 . . . . 61.52 110.939 -179.99 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 38' ' ' MET . . . . . . . . . . . . . 1.0 OUTLIER -63.67 -25.67 68.32 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.247 -0.433 . . . . 74.34 110.876 179.747 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -56.43 -27.89 57.92 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.266 -0.425 . . . . 71.3 110.912 179.975 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 40' ' ' LEU . . . . . 0.79 ' HB2' HD21 ' B' ' 51' ' ' LEU . 11.4 mt -73.75 -28.44 61.69 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.218 -0.446 . . . . 74.22 110.956 179.886 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 41' ' ' CYS . . . . . . . . . . . . . 36.4 t -65.36 -38.89 91.46 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.149 -0.478 . . . . 72.02 110.895 179.964 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -72.8 -26.08 61.38 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.189 -0.46 . . . . 75.53 110.86 -179.897 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 4.6 mm-40 -59.47 -30.02 68.22 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.148 -0.478 . . . . 74.34 110.913 -179.951 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -51.94 -43.41 63.47 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.213 -0.449 . . . . 74.31 111.06 179.933 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -75.15 -23.09 57.75 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.29 -0.413 . . . . 64.0 111.088 179.95 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -71.88 -46.48 57.69 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.221 -0.445 . . . . 73.11 110.825 179.969 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 47' ' ' LYS . . . . . 0.698 ' CG ' HD22 ' B' ' 40' ' ' LEU . 0.0 OUTLIER -65.25 -56.53 12.24 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.249 -0.432 . . . . 64.13 110.893 179.914 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -52.89 -46.32 67.93 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.244 -0.435 . . . . 70.11 111.147 179.799 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 4.1 tt0 -67.28 -42.54 83.64 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.218 -0.446 . . . . 73.04 110.952 -179.995 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 1.4 mt-10 -59.49 -49.17 78.81 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.121 -0.49 . . . . 73.13 110.91 -179.962 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 51' ' ' LEU . . . . . 0.781 HD21 ' HB2' ' B' ' 40' ' ' LEU . 1.5 mt -69.91 -43.69 71.2 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.192 -0.458 . . . . 71.4 110.949 179.958 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 52' ' ' PHE . . . . . . . . . . . . . 16.5 t80 -60.88 -36.71 79.91 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.16 -0.473 . . . . 73.54 110.896 179.922 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 30.0 tptt -52.19 -58.14 7.52 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.101 -0.5 . . . . 74.45 110.906 -179.955 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 54' ' ' LEU . . . . . . . . . . . . . 19.0 mt -74.86 -23.51 58.43 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.216 -0.447 . . . . 73.2 110.959 179.867 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -57.16 -35.55 69.68 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.179 -0.464 . . . . 71.42 111.089 179.806 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 56' ' ' GLU . . . . . 0.668 ' HB3' HD11 ' A' ' 62' ' ' LEU . 19.9 mt-10 -57.08 -22.67 41.16 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.171 -0.468 . . . . 72.32 110.848 -179.887 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 52.8 tp10 -72.87 -54.37 8.93 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.131 -0.486 . . . . 64.22 110.879 -179.854 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -77.36 -22.64 51.43 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.139 -0.482 . . . . 75.24 110.923 -179.962 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 59' ' ' LEU . . . . . 0.675 ' HG ' ' HB2' ' A' ' 9' ' ' ALA . 3.7 mm? -112.91 -173.93 2.35 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.11 -0.496 . . . . 71.45 110.879 -179.961 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 2.7 mtpm? 51.33 -169.5 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.146 -0.479 . . . . 61.15 110.927 179.874 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -121.0 -29.42 4.59 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.26 -0.427 . . . . 65.23 110.888 179.898 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 62' ' ' LEU . . . . . 0.668 HD11 ' HB3' ' A' ' 56' ' ' GLU . 3.8 pp . . . . . 0 C--N 1.328 -0.345 0 CA-C-N 116.244 -0.434 . . . . 75.32 110.876 179.921 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 1' ' ' MET . . . . . . . . . . . . . 7.7 mtt . . . . . 0 C--O 1.23 0.069 0 CA-C-O 120.869 0.366 . . . . 71.02 110.909 . . . . . . . . . 0 0 . 1 . 019 nuclear build full ' B' B ' 2' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 63.39 160.4 0.09 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.181 -0.463 . . . . 73.54 110.914 179.984 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' B' B ' 3' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -178.45 -37.22 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.201 -0.454 . . . . 74.13 110.944 179.926 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' B' B ' 4' ' ' LEU . . . . . . . . . . . . . 4.1 mm? -52.49 -62.55 1.57 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.093 -0.503 . . . . 75.23 110.945 179.905 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 5' ' ' ARG . . . . . 0.456 ' C ' HD12 ' B' ' 59' ' ' LEU . 1.6 ptp180 -70.86 -35.75 72.53 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.142 -0.481 . . . . 72.32 110.884 179.935 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' B' B ' 6' ' ' GLU . . . . . 0.551 ' N ' HD12 ' B' ' 59' ' ' LEU . 1.4 tm-20 -53.77 -26.65 24.61 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.207 -0.451 . . . . 71.54 110.878 -179.961 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' B' B ' 7' ' ' GLU . . . . . . . . . . . . . 1.2 mm-40 -53.59 -28.44 32.28 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.141 -0.482 . . . . 71.33 110.861 -179.907 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 8' ' ' ALA . . . . . . . . . . . . . . . -76.06 -30.76 58.49 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.145 -0.479 . . . . 52.01 111.102 179.927 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 9' ' ' ALA . . . . . . . . . . . . . . . -71.57 -36.19 70.82 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.251 -0.431 . . . . 44.3 111.118 179.938 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 10' ' ' LYS . . . . . . . . . . . . . 13.1 mtmt -55.84 -25.05 40.19 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.192 -0.458 . . . . 71.43 110.899 179.953 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 11' ' ' LEU . . . . . . . . . . . . . 66.2 mt -51.82 -44.89 63.71 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.205 -0.452 . . . . 74.2 110.981 179.874 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 12' ' ' PHE . . . . . . . . . . . . . 23.4 m-85 -74.04 -28.18 61.29 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.202 -0.454 . . . . 63.23 110.901 179.918 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 13' ' ' GLU . . . . . . . . . . . . . 1.6 tt0 -57.71 -36.69 72.34 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.167 -0.469 . . . . 73.52 110.927 -179.966 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 14' ' ' GLU . . . . . . . . . . . . . 8.3 mt-10 -75.09 -35.2 61.8 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.13 -0.487 . . . . 42.11 110.923 -179.97 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 15' ' ' TRP . . . . . . . . . . . . . 19.4 m0 -53.94 -54.38 39.63 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.128 -0.487 . . . . 71.55 110.908 -179.939 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 16' ' ' LYS . . . . . 0.486 ' HB3' ' HB3' ' B' ' 48' ' ' ALA . 0.2 OUTLIER -69.23 -24.33 63.99 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.255 -0.429 . . . . 64.31 110.939 179.92 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' B' B ' 17' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -70.81 -52.49 20.18 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.147 -0.479 . . . . 72.35 110.877 179.835 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' B' B ' 18' ' ' LEU . . . . . . . . . . . . . 4.5 mt -54.78 -35.05 63.41 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.274 -0.421 . . . . 74.11 110.902 179.904 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 19' ' ' ALA . . . . . . . . . . . . . . . -61.46 -34.07 74.82 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.216 -0.447 . . . . 64.43 111.056 179.864 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 20' ' ' GLU . . . . . . . . . . . . . 1.9 mt-10 -57.52 -49.26 76.9 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.182 -0.463 . . . . 72.14 110.93 -179.954 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 21' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -73.65 -49.89 23.73 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.126 -0.488 . . . . 65.55 110.891 -179.922 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' B' B ' 22' ' ' ALA . . . . . . . . . . . . . . . -55.54 -30.91 61.58 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.162 -0.472 . . . . 74.42 111.114 179.943 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 23' ' ' ALA . . . . . . . . . . . . . . . -71.08 -54.32 11.55 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.229 -0.442 . . . . 75.32 111.079 179.969 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 24' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -62.92 -34.75 78.11 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.22 -0.445 . . . . 74.41 110.945 179.916 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' B' B ' 25' ' ' LEU . . . . . . . . . . . . . 6.4 mt -76.64 -38.91 53.86 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.246 -0.434 . . . . 75.5 110.954 179.872 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 26' ' ' LEU . . . . . . . . . . . . . 3.4 mt -50.6 -50.11 54.85 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.195 -0.457 . . . . 71.33 110.974 179.807 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 27' ' ' GLU . . . . . . . . . . . . . 22.0 mt-10 -91.16 12.41 20.15 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.217 -0.447 . . . . 70.14 110.861 179.934 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 28' ' ' GLY . . . . . . . . . . . . . . . -59.63 -14.43 28.77 Favored Glycine 0 N--CA 1.452 -0.26 0 C-N-CA 120.647 -0.787 . . . . 70.22 112.444 -179.935 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 29' ' ' GLY . . . . . . . . . . . . . . . 135.46 46.57 0.09 OUTLIER Glycine 0 N--CA 1.45 -0.392 0 C-N-CA 120.759 -0.734 . . . . 72.42 112.521 -179.889 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 30' ' ' GLY . . . . . . . . . . . . . . . -172.67 -55.92 0.05 OUTLIER Glycine 0 N--CA 1.451 -0.333 0 C-N-CA 120.702 -0.761 . . . . 60.42 112.475 -179.861 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 31' ' ' GLY . . . . . . . . . . . . . . . -56.56 122.8 29.58 Favored Glycine 0 N--CA 1.452 -0.289 0 C-N-CA 120.739 -0.743 . . . . 64.31 112.481 -179.855 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 32' ' ' GLY . . . . . . . . . . . . . . . -70.68 -119.56 0.04 OUTLIER Glycine 0 N--CA 1.45 -0.376 0 C-N-CA 120.75 -0.738 . . . . 71.43 112.501 -179.848 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 33' ' ' GLY . . . . . . . . . . . . . . . 93.75 -123.49 7.46 Favored Glycine 0 N--CA 1.452 -0.282 0 C-N-CA 120.689 -0.767 . . . . 72.24 112.473 -179.945 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 34' ' ' GLY . . . . . . . . . . . . . . . 57.33 90.08 0.01 OUTLIER Glycine 0 N--CA 1.451 -0.366 0 C-N-CA 120.752 -0.737 . . . . 43.22 112.463 -179.926 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 35' ' ' GLY . . . . . . . . . . . . . . . 136.65 -169.09 23.97 Favored Glycine 0 N--CA 1.452 -0.25 0 C-N-CA 120.708 -0.758 . . . . 63.42 112.434 -179.92 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 36' ' ' GLU . . . . . . . . . . . . . 16.8 tt0 -54.66 -32.5 59.31 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-O 120.891 0.377 . . . . 61.02 110.873 -179.902 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 37' ' ' LEU . . . . . 0.575 HD12 HD23 ' A' ' 51' ' ' LEU . 31.9 tp -61.71 -57.48 11.77 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.18 -0.464 . . . . 62.2 110.906 -179.954 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' B' B ' 38' ' ' MET . . . . . . . . . . . . . 1.0 OUTLIER -62.62 -25.7 68.24 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.199 -0.455 . . . . 73.32 110.816 179.905 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' B' B ' 39' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -56.4 -28.0 58.03 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.246 -0.433 . . . . 64.52 110.951 179.943 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' B' B ' 40' ' ' LEU . . . . . 0.781 ' HB2' HD21 ' A' ' 51' ' ' LEU . 12.0 mt -71.79 -28.77 63.83 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.13 -0.486 . . . . 73.04 110.969 179.867 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' B' B ' 41' ' ' CYS . . . . . . . . . . . . . 36.4 t -65.48 -39.42 91.91 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.139 -0.482 . . . . 73.32 110.842 179.998 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 42' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -73.04 -26.38 61.28 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.171 -0.468 . . . . 72.24 110.825 -179.832 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' B' B ' 43' ' ' GLU . . . . . . . . . . . . . 4.6 mm-40 -59.64 -30.27 68.61 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.214 -0.448 . . . . 70.24 110.833 -179.871 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 44' ' ' ALA . . . . . . . . . . . . . . . -51.96 -43.53 63.57 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.196 -0.456 . . . . 74.02 111.07 179.922 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 45' ' ' ALA . . . . . . . . . . . . . . . -74.93 -23.11 58.27 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.195 -0.457 . . . . 63.44 111.067 179.984 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 46' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -71.9 -47.16 54.6 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.235 -0.439 . . . . 43.12 110.867 -179.974 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' B' B ' 47' ' ' LYS . . . . . 0.695 ' CG ' HD22 ' A' ' 40' ' ' LEU . 0.0 OUTLIER -65.06 -56.32 13.73 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.226 -0.443 . . . . 53.3 110.845 179.918 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' B' B ' 48' ' ' ALA . . . . . 0.486 ' HB3' ' HB3' ' B' ' 16' ' ' LYS . . . -52.84 -46.14 67.68 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.194 -0.457 . . . . 64.24 111.038 179.861 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' B' B ' 49' ' ' GLU . . . . . . . . . . . . . 4.1 tt0 -67.46 -42.96 82.19 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.295 -0.412 . . . . 72.45 110.868 -179.881 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 50' ' ' GLU . . . . . . . . . . . . . 1.5 mt-10 -60.31 -48.72 80.56 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.161 -0.472 . . . . 73.35 110.879 -179.951 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 51' ' ' LEU . . . . . 0.79 HD21 ' HB2' ' A' ' 40' ' ' LEU . 1.5 mt -69.63 -42.21 74.61 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 116.191 -0.458 . . . . 63.14 110.927 -179.997 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' B' B ' 52' ' ' PHE . . . . . . . . . . . . . 15.5 t80 -58.99 -36.66 75.26 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.215 -0.448 . . . . 63.1 110.855 179.957 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 53' ' ' LYS . . . . . . . . . . . . . 29.3 tptt -52.03 -59.36 4.44 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.147 -0.479 . . . . 61.3 110.864 179.992 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 54' ' ' LEU . . . . . . . . . . . . . 19.2 mt -75.7 -22.86 56.22 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.255 -0.429 . . . . 71.11 110.916 179.965 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 55' ' ' ALA . . . . . . . . . . . . . . . -56.44 -31.72 64.22 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.194 -0.457 . . . . 61.22 111.147 179.751 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 56' ' ' GLU . . . . . 0.401 ' CD ' HD21 ' B' ' 62' ' ' LEU . 25.6 mt-10 -60.02 -39.22 85.1 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.192 -0.458 . . . . 73.42 110.921 -179.939 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' B' B ' 57' ' ' GLU . . . . . . . . . . . . . 52.9 tp10 -50.36 -56.07 12.92 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.169 -0.468 . . . . 73.44 110.873 -179.948 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 58' ' ' ARG . . . . . 0.74 ' C ' HD22 ' B' ' 59' ' ' LEU . 0.1 OUTLIER -81.41 -17.77 47.76 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.196 -0.456 . . . . 52.51 110.911 -179.969 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' B' B ' 59' ' ' LEU . . . . . 0.74 HD22 ' C ' ' B' ' 58' ' ' ARG . 3.4 mm? -136.04 74.11 1.49 Allowed 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.236 -0.438 . . . . 74.51 110.974 179.986 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' B' B ' 60' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -86.61 145.54 26.69 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.143 -0.48 . . . . 65.43 110.955 179.836 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' B' B ' 61' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -166.84 -38.46 0.02 OUTLIER 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.291 -0.413 . . . . 63.32 110.872 179.907 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' B' B ' 62' ' ' LEU . . . . . 0.426 ' O ' HD12 ' B' ' 62' ' ' LEU . 2.5 pp . . . . . 0 C--N 1.328 -0.338 0 CA-C-N 116.211 -0.45 . . . . 50.3 110.868 179.957 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 101' ' ' HLT . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 020 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 6.1 ttm . . . . . 0 C--O 1.231 0.095 0 CA-C-O 120.799 0.333 . . . . 44.53 110.837 . . . . . . . . . 0 0 . 1 . 020 nuclear build full ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -161.42 154.86 21.48 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.254 -0.43 . . . . 73.22 110.936 179.934 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 10.9 mtpt -173.73 -39.99 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.27 -0.423 . . . . 73.32 110.833 179.883 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 4.2 mm? -62.6 -46.5 88.01 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.231 -0.441 . . . . 74.01 110.948 179.863 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 3.1 ptp180 -71.32 -43.04 67.8 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.171 -0.468 . . . . 63.31 110.854 179.93 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 6' ' ' GLU . . . . . 0.642 ' HA ' HD22 ' A' ' 59' ' ' LEU . 0.5 OUTLIER -54.07 -29.62 44.96 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.238 -0.437 . . . . 72.23 110.889 -179.901 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 2.9 mm-40 -64.27 -54.56 31.31 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.167 -0.469 . . . . 74.52 110.866 -179.878 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -55.27 -27.02 43.64 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.136 -0.484 . . . . 71.43 111.147 179.898 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -73.72 -40.64 63.42 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.212 -0.449 . . . . 50.32 111.131 179.874 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 4.1 mtmt -58.39 -31.98 68.17 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.215 -0.448 . . . . 74.03 110.912 179.997 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 55.0 mt -51.69 -43.92 62.93 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.254 -0.43 . . . . 65.35 110.865 179.936 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 12' ' ' PHE . . . . . 0.569 ' CZ ' HD22 ' A' ' 51' ' ' LEU . 22.1 m-85 -74.15 -27.77 61.0 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.173 -0.467 . . . . 75.14 110.876 179.992 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 2.7 tt0 -53.74 -27.93 31.39 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.156 -0.474 . . . . 75.04 110.951 -179.93 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 14' ' ' GLU . . . . . 0.472 ' O ' HD12 ' A' ' 18' ' ' LEU . 11.4 mt-10 -74.89 -35.48 62.28 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.137 -0.483 . . . . 73.34 110.904 179.988 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 15' ' ' TRP . . . . . 0.609 ' CH2' ' HB2' ' B' ' 44' ' ' ALA . 2.3 t90 -59.52 -48.79 80.27 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.198 -0.455 . . . . 62.35 110.87 -179.937 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 2.9 ptmm? -75.39 -32.45 60.78 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.246 -0.434 . . . . 74.32 110.91 179.96 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -64.14 -57.41 9.64 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.241 -0.436 . . . . 64.31 110.903 179.848 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 18' ' ' LEU . . . . . 0.472 HD12 ' O ' ' A' ' 14' ' ' GLU . 3.0 mt -54.92 -42.2 71.95 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.224 -0.444 . . . . 62.03 110.903 179.927 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 19' ' ' ALA . . . . . 0.579 ' HB2' ' HB3' ' A' ' 44' ' ' ALA . . . -58.23 -24.09 58.05 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.24 -0.436 . . . . 62.34 111.113 179.784 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -73.33 -49.5 27.12 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.227 -0.442 . . . . 74.05 110.866 -179.951 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -73.92 -51.41 16.17 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.164 -0.471 . . . . 62.14 110.917 -179.961 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -53.27 -30.23 37.4 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.116 -0.493 . . . . 64.4 111.11 179.953 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -71.15 -54.08 12.29 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.17 -0.468 . . . . 71.34 111.134 179.867 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 16.5 ptpt -64.75 -33.11 75.19 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.262 -0.426 . . . . 73.4 110.85 -179.99 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 4.4 mt -76.54 -40.98 48.33 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.227 -0.442 . . . . 74.11 110.93 179.945 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 7.5 mt -50.78 -49.22 58.77 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.163 -0.471 . . . . 72.24 110.923 179.875 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 11.7 mt-10 -93.24 12.42 24.6 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.175 -0.466 . . . . 72.52 110.841 179.944 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . -59.86 -14.14 29.06 Favored Glycine 0 N--CA 1.451 -0.302 0 C-N-CA 120.695 -0.764 . . . . 73.12 112.483 -179.965 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . 135.45 44.19 0.1 Allowed Glycine 0 N--CA 1.451 -0.348 0 C-N-CA 120.738 -0.744 . . . . 53.53 112.458 -179.992 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . -178.4 -87.12 0.07 OUTLIER Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.761 -0.733 . . . . 63.0 112.509 -179.917 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . 55.09 -108.95 1.1 Allowed Glycine 0 N--CA 1.451 -0.306 0 C-N-CA 120.766 -0.731 . . . . 72.14 112.435 -179.943 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . -141.36 -106.39 0.62 Allowed Glycine 0 N--CA 1.451 -0.344 0 C-N-CA 120.727 -0.749 . . . . 71.0 112.482 -179.927 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -111.63 -39.27 1.34 Allowed Glycine 0 N--CA 1.451 -0.364 0 C-N-CA 120.778 -0.725 . . . . 54.02 112.45 -179.856 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 111.96 115.02 3.42 Favored Glycine 0 N--CA 1.452 -0.283 0 C-N-CA 120.793 -0.718 . . . . 44.32 112.48 -179.892 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 144.38 -136.23 6.62 Favored Glycine 0 N--CA 1.451 -0.3 0 C-N-CA 120.713 -0.756 . . . . 50.22 112.508 -179.888 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 24.5 tt0 -57.55 -33.01 67.67 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.905 0.383 . . . . 74.22 110.937 -179.943 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 19.3 tp -64.89 -48.4 74.33 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.099 -0.5 . . . . 71.32 110.903 -179.911 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 38' ' ' MET . . . . . . . . . . . . . 37.3 ttm -70.95 -44.97 64.98 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.195 -0.457 . . . . 54.2 110.838 179.807 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -65.28 -28.06 69.07 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.239 -0.437 . . . . 74.12 110.919 179.954 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 4.3 mt -54.42 -40.24 68.1 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.209 -0.45 . . . . 71.52 110.909 179.903 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 41' ' ' CYS . . . . . 0.669 ' HA ' HD11 ' B' ' 51' ' ' LEU . 40.5 t -69.84 -37.13 76.06 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.241 -0.436 . . . . 50.02 110.835 179.973 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -56.44 -25.01 49.13 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.199 -0.455 . . . . 73.2 110.895 -179.882 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 11.4 mm-40 -54.28 -29.67 48.07 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.193 -0.458 . . . . 75.32 110.954 -179.985 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 44' ' ' ALA . . . . . 0.66 ' HB2' ' CH2' ' B' ' 15' ' ' TRP . . . -51.69 -43.07 62.64 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.098 -0.501 . . . . 75.51 111.164 179.845 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -75.1 -22.91 57.95 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.245 -0.434 . . . . 74.22 111.041 179.971 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 4.1 mttp -77.63 -50.3 12.79 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.239 -0.437 . . . . 32.14 110.847 -179.968 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -63.54 -49.02 75.11 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.238 -0.437 . . . . 65.45 110.862 179.911 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 48' ' ' ALA . . . . . 0.504 ' HB2' ' HB3' ' A' ' 15' ' ' TRP . . . -51.84 -37.32 51.44 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.219 -0.446 . . . . 73.44 111.093 179.826 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -66.65 -34.28 77.53 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.158 -0.474 . . . . 72.31 110.942 -179.938 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 10.2 mm-40 -74.18 -40.92 62.2 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.162 -0.472 . . . . 73.44 110.92 -179.988 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 51' ' ' LEU . . . . . 0.636 HD11 ' HA ' ' B' ' 41' ' ' CYS . 3.4 mt -73.02 -48.11 39.16 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.136 -0.484 . . . . 73.5 110.874 -179.921 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 52' ' ' PHE . . . . . . . . . . . . . 35.0 t80 -54.05 -26.85 28.78 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.216 -0.447 . . . . 62.42 110.948 179.91 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -51.78 -56.17 15.44 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.146 -0.479 . . . . 73.12 110.935 179.897 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 54' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -75.44 -21.75 57.91 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.264 -0.425 . . . . 72.21 110.936 179.883 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -54.05 -29.94 45.99 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.228 -0.442 . . . . 73.31 111.051 179.769 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 56' ' ' GLU . . . . . 0.598 ' HB2' HD21 ' A' ' 62' ' ' LEU . 5.4 pt-20 -76.5 -25.77 54.56 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.256 -0.429 . . . . 74.43 110.942 -179.968 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 34.9 tp10 -63.06 -46.68 86.32 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.194 -0.457 . . . . 61.22 110.932 -179.923 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -82.65 -12.58 57.53 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.133 -0.485 . . . . 73.1 110.878 -179.946 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 59' ' ' LEU . . . . . 0.642 HD22 ' HA ' ' A' ' 6' ' ' GLU . 31.5 tp -121.51 -77.19 0.58 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.185 -0.461 . . . . 73.13 110.897 -179.913 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 60' ' ' LYS . . . . . 0.478 ' N ' ' O ' ' A' ' 56' ' ' GLU . 2.5 mtpp 70.3 -174.47 0.18 Allowed 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.18 -0.463 . . . . 60.1 110.937 179.824 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER 66.51 22.25 10.65 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.312 -0.404 . . . . 61.01 110.873 179.864 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 62' ' ' LEU . . . . . 0.609 HD22 ' H ' ' A' ' 62' ' ' LEU . 0.4 OUTLIER . . . . . 0 C--N 1.328 -0.335 0 CA-C-N 116.256 -0.429 . . . . 45.02 110.886 -179.987 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' B' B ' 1' ' ' MET . . . . . . . . . . . . . 6.0 ttm . . . . . 0 C--O 1.232 0.155 0 CA-C-O 120.812 0.339 . . . . 54.21 110.85 . . . . . . . . . 0 0 . 1 . 020 nuclear build full ' B' B ' 2' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -161.39 154.52 21.1 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.281 -0.418 . . . . 71.42 110.882 179.948 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' B' B ' 3' ' ' LYS . . . . . . . . . . . . . 11.0 mtpt -173.95 -40.14 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.166 -0.47 . . . . 73.24 110.919 179.879 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 4' ' ' LEU . . . . . . . . . . . . . 4.2 mm? -62.44 -46.16 89.77 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.192 -0.458 . . . . 42.12 110.892 179.904 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 5' ' ' ARG . . . . . . . . . . . . . 2.8 ptp180 -71.31 -42.58 68.45 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.172 -0.467 . . . . 74.52 110.833 179.988 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 6' ' ' GLU . . . . . 0.6 ' HA ' HD22 ' B' ' 59' ' ' LEU . 0.5 OUTLIER -53.66 -29.51 38.86 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.256 -0.429 . . . . 70.15 110.893 -179.927 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' B' B ' 7' ' ' GLU . . . . . . . . . . . . . 3.0 mm-40 -63.46 -54.52 35.14 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.183 -0.462 . . . . 72.02 110.912 -179.935 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 8' ' ' ALA . . . . . . . . . . . . . . . -56.24 -26.83 52.85 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.129 -0.487 . . . . 70.54 111.047 179.928 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 9' ' ' ALA . . . . . . . . . . . . . . . -71.68 -38.76 70.57 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.191 -0.458 . . . . 73.2 111.121 179.953 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 10' ' ' LYS . . . . . . . . . . . . . 4.5 mtmt -55.9 -34.07 65.22 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.194 -0.457 . . . . 72.05 110.91 -179.994 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 11' ' ' LEU . . . . . . . . . . . . . 40.2 mt -51.82 -42.73 62.75 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.179 -0.464 . . . . 72.55 110.961 179.928 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 12' ' ' PHE . . . . . 0.806 ' CE1' HD22 ' B' ' 51' ' ' LEU . 23.4 m-85 -74.16 -27.48 60.85 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.199 -0.455 . . . . 73.0 110.906 179.868 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' B' B ' 13' ' ' GLU . . . . . . . . . . . . . 2.7 tt0 -53.82 -32.52 53.08 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.103 -0.499 . . . . 62.42 110.853 -179.861 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 14' ' ' GLU . . . . . . . . . . . . . 8.4 mt-10 -75.0 -29.24 60.82 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.246 -0.434 . . . . 73.41 110.849 -179.944 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 15' ' ' TRP . . . . . 0.66 ' CH2' ' HB2' ' A' ' 44' ' ' ALA . 2.2 t90 -61.63 -52.13 65.62 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.166 -0.47 . . . . 65.34 110.926 -179.989 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' B' B ' 16' ' ' LYS . . . . . 0.693 ' HB3' ' HB1' ' B' ' 48' ' ' ALA . 3.0 ptmm? -75.98 -32.74 59.6 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.319 -0.401 . . . . 72.33 110.902 179.865 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' B' B ' 17' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -58.83 -62.21 2.04 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.248 -0.433 . . . . 71.41 110.894 179.884 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' B' B ' 18' ' ' LEU . . . . . 0.545 HD13 'BR ' ' A' ' 101' ' ' HLT . 3.3 mt -54.94 -43.39 73.35 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 116.264 -0.425 . . . . 53.3 110.872 179.914 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' B' B ' 19' ' ' ALA . . . . . . . . . . . . . . . -57.96 -21.66 45.31 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.199 -0.455 . . . . 71.23 111.169 179.754 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 20' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -73.05 -49.21 29.95 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.124 -0.489 . . . . 65.32 110.869 -179.909 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' B' B ' 21' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -71.59 -51.78 21.56 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.147 -0.479 . . . . 73.15 110.855 -179.908 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' B' B ' 22' ' ' ALA . . . . . . . . . . . . . . . -53.94 -30.45 46.63 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.145 -0.48 . . . . 71.44 111.15 179.893 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 23' ' ' ALA . . . . . . . . . . . . . . . -71.54 -53.63 13.19 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.242 -0.435 . . . . 53.13 111.08 179.969 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 24' ' ' LYS . . . . . . . . . . . . . 16.5 ptpt -64.63 -33.66 76.45 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.234 -0.439 . . . . 75.32 110.845 -179.994 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 25' ' ' LEU . . . . . 0.409 ' HA ' HD23 ' B' ' 25' ' ' LEU . 5.1 mt -76.34 -40.44 51.3 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.219 -0.446 . . . . 75.14 110.92 179.951 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' B' B ' 26' ' ' LEU . . . . . . . . . . . . . 7.0 mt -50.62 -50.05 55.22 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.144 -0.48 . . . . 71.24 110.875 179.878 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 27' ' ' GLU . . . . . . . . . . . . . 12.6 mt-10 -95.15 12.54 28.39 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.288 -0.415 . . . . 72.32 110.896 179.935 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 28' ' ' GLY . . . . . . . . . . . . . . . -59.64 -14.46 28.93 Favored Glycine 0 N--CA 1.451 -0.33 0 C-N-CA 120.727 -0.749 . . . . 74.34 112.49 -179.943 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 29' ' ' GLY . . . . . . . . . . . . . . . 135.23 45.63 0.1 OUTLIER Glycine 0 N--CA 1.451 -0.325 0 C-N-CA 120.727 -0.749 . . . . 42.44 112.449 -179.962 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 30' ' ' GLY . . . . . . . . . . . . . . . -176.88 -87.36 0.07 OUTLIER Glycine 0 N--CA 1.452 -0.29 0 C-N-CA 120.75 -0.738 . . . . 74.41 112.469 -179.96 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 31' ' ' GLY . . . . . . . . . . . . . . . 55.69 -107.16 0.73 Allowed Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.752 -0.737 . . . . 64.42 112.535 -179.816 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 32' ' ' GLY . . . . . . . . . . . . . . . -140.63 -106.38 0.64 Allowed Glycine 0 N--CA 1.451 -0.352 0 C-N-CA 120.742 -0.742 . . . . 45.34 112.502 -179.881 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 33' ' ' GLY . . . . . . . . . . . . . . . -111.51 -38.02 1.52 Allowed Glycine 0 N--CA 1.45 -0.381 0 C-N-CA 120.725 -0.75 . . . . 51.25 112.538 -179.979 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 34' ' ' GLY . . . . . . . . . . . . . . . 112.26 112.94 3.24 Favored Glycine 0 N--CA 1.452 -0.3 0 C-N-CA 120.753 -0.737 . . . . 73.44 112.512 -179.911 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 35' ' ' GLY . . . . . . . . . . . . . . . 142.47 -135.5 6.63 Favored Glycine 0 N--CA 1.451 -0.335 0 C-N-CA 120.696 -0.764 . . . . 71.05 112.463 -179.903 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 36' ' ' GLU . . . . . . . . . . . . . 24.4 tt0 -57.66 -31.64 66.52 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 120.867 0.365 . . . . 75.31 110.926 -179.931 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 37' ' ' LEU . . . . . . . . . . . . . 19.8 tp -63.73 -48.49 76.85 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.139 -0.482 . . . . 61.2 110.923 179.991 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 38' ' ' MET . . . . . . . . . . . . . 37.6 ttm -72.53 -44.32 62.34 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.204 -0.453 . . . . 64.52 110.845 179.876 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 39' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -64.29 -27.87 69.33 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.252 -0.431 . . . . 75.25 110.885 179.979 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' B' B ' 40' ' ' LEU . . . . . . . . . . . . . 4.1 mt -53.99 -43.04 69.65 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.24 -0.437 . . . . 73.01 110.903 179.922 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 41' ' ' CYS . . . . . 0.636 ' HA ' HD11 ' A' ' 51' ' ' LEU . 32.5 t -75.11 -27.43 59.84 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.199 -0.455 . . . . 74.24 110.916 179.949 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' B' B ' 42' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -53.65 -25.56 18.53 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.165 -0.47 . . . . 63.01 110.871 -179.888 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' B' B ' 43' ' ' GLU . . . . . . . . . . . . . 11.5 mm-40 -54.6 -33.06 59.78 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.165 -0.471 . . . . 64.24 110.857 -179.931 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 44' ' ' ALA . . . . . 0.609 ' HB2' ' CH2' ' A' ' 15' ' ' TRP . . . -51.63 -42.57 62.11 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.122 -0.49 . . . . 74.51 111.103 179.957 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' B' B ' 45' ' ' ALA . . . . . . . . . . . . . . . -74.92 -23.07 58.29 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.24 -0.436 . . . . 63.23 111.159 179.874 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 46' ' ' LYS . . . . . . . . . . . . . 4.1 mttp -78.13 -49.92 12.98 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.135 -0.484 . . . . 70.44 110.865 -179.98 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 47' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -62.44 -43.56 98.52 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.295 -0.411 . . . . 71.22 110.858 179.919 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' B' B ' 48' ' ' ALA . . . . . 0.693 ' HB1' ' HB3' ' B' ' 16' ' ' LYS . . . -51.86 -41.45 61.88 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.3 -0.409 . . . . 43.53 111.113 179.77 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' B' B ' 49' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -70.63 -32.03 69.21 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.197 -0.456 . . . . 70.33 110.838 -179.878 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' B' B ' 50' ' ' GLU . . . . . . . . . . . . . 10.0 mm-40 -73.98 -41.09 62.45 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.157 -0.474 . . . . 54.42 110.957 -179.98 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 51' ' ' LEU . . . . . 0.806 HD22 ' CE1' ' B' ' 12' ' ' PHE . 4.6 mt -72.53 -53.23 12.6 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.173 -0.467 . . . . 74.01 110.942 179.995 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' B' B ' 52' ' ' PHE . . . . . . . . . . . . . 34.8 t80 -56.11 -24.89 43.42 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.174 -0.467 . . . . 75.52 110.898 179.907 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 53' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -52.37 -56.02 17.71 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.182 -0.463 . . . . 71.14 110.878 -179.991 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' B' B ' 54' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -75.28 -21.95 58.14 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.22 -0.446 . . . . 65.12 110.968 179.844 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' B' B ' 55' ' ' ALA . . . . . . . . . . . . . . . -53.87 -30.0 43.91 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.169 -0.469 . . . . 64.43 111.076 179.827 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 56' ' ' GLU . . . . . 0.601 ' HB2' HD21 ' B' ' 62' ' ' LEU . 5.4 pt-20 -76.82 -25.82 53.67 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.262 -0.426 . . . . 74.41 110.876 -179.963 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' B' B ' 57' ' ' GLU . . . . . . . . . . . . . 34.9 tp10 -62.96 -46.7 86.48 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.185 -0.461 . . . . 53.11 110.863 -179.895 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 58' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -82.64 -12.7 57.46 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.227 -0.442 . . . . 74.12 110.879 -179.934 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' B' B ' 59' ' ' LEU . . . . . 0.6 HD22 ' HA ' ' B' ' 6' ' ' GLU . 29.4 tp -121.3 -77.17 0.58 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.205 -0.452 . . . . 51.14 110.918 -179.977 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' B' B ' 60' ' ' LYS . . . . . 0.477 ' N ' ' O ' ' B' ' 56' ' ' GLU . 2.6 mtpp 70.35 -174.5 0.18 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.129 -0.487 . . . . 73.14 110.922 179.873 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' B' B ' 61' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER 66.28 22.6 10.88 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.226 -0.443 . . . . 71.42 110.896 179.851 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' B' B ' 62' ' ' LEU . . . . . 0.619 ' H ' HD22 ' B' ' 62' ' ' LEU . 0.4 OUTLIER . . . . . 0 C--N 1.329 -0.324 0 CA-C-N 116.212 -0.449 . . . . 70.33 110.871 179.954 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 101' ' ' HLT . . . . . 0.545 'BR ' HD13 ' B' ' 18' ' ' LEU . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 33.9 tptt . . . . . 0 C--O 1.231 0.122 0 CA-C-O 120.847 0.356 . . . . 75.120000000000005 110.849 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' A' A ' 3' ' ' LYS . . . . . 0.42 ' C ' HD22 ' A' ' 4' ' ' LEU . 0.2 OUTLIER -179.33 -37.76 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.235 -0.439 . . . . 50.32 110.913 179.955 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 4' ' ' LEU . . . . . 0.42 HD22 ' C ' ' A' ' 3' ' ' LYS . 4.3 mm? -116.89 -26.98 6.72 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.224 -0.443 . . . . 74.409999999999997 110.902 179.933 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 2.1 mtt85 -72.05 -45.46 60.69 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.205 -0.452 . . . . 73.209999999999994 110.908 179.951 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 2.4 tt0 -53.81 -28.23 34.01 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.17 -0.468 . . . . 74.310000000000002 110.926 -179.99 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 15.9 mm-40 -54.96 -29.93 57.86 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.16 -0.473 . . . . 73.349999999999994 110.903 -179.941 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -74.15 -26.98 60.62 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.168 -0.469 . . . . 71.140000000000001 111.093 179.896 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 9' ' ' ALA . . . . . 0.901 ' HB2' HD23 ' A' ' 59' ' ' LEU . . . -64.13 -40.86 97.08 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.213 -0.449 . . . . 45.109999999999999 111.093 179.946 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -65.77 -35.13 79.85 Favored 'General case' 0 C--N 1.33 -0.283 0 CA-C-N 116.188 -0.46 . . . . 61.0 110.904 -179.973 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 51.1 mt -51.89 -44.06 63.59 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.221 -0.445 . . . . 65.239999999999995 110.942 179.881 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 12' ' ' PHE . . . . . 0.4 ' CZ ' HD21 ' B' ' 26' ' ' LEU . 22.4 m-85 -74.09 -23.51 59.34 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.121 -0.49 . . . . 71.030000000000001 110.811 -179.984 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -59.03 -37.38 76.82 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.195 -0.457 . . . . 73.239999999999995 110.913 -179.952 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 7.4 mt-10 -75.02 -34.97 61.97 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.151 -0.477 . . . . 75.430000000000007 110.823 -179.895 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 15' ' ' TRP . . . . . . . . . . . . . 11.4 m0 -55.76 -47.67 76.61 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 116.178 -0.465 . . . . 64.439999999999998 110.932 -179.902 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 12.4 tttm -76.62 -25.93 54.38 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.226 -0.443 . . . . 72.129999999999995 110.917 179.871 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -67.9 -59.14 3.51 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.237 -0.438 . . . . 73.239999999999995 110.889 179.864 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 19.1 mt -55.18 -32.68 62.37 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.229 -0.442 . . . . 74.340000000000003 110.888 179.876 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 19' ' ' ALA . . . . . 0.435 ' O ' ' HB2' ' A' ' 23' ' ' ALA . . . -63.38 -24.82 68.01 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.216 -0.447 . . . . 72.349999999999994 111.108 179.81 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 1.3 mt-10 -73.08 -49.54 27.93 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.274 -0.421 . . . . 75.109999999999999 110.879 -179.907 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 2.1 mm-40 -74.26 -48.47 28.47 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.131 -0.486 . . . . 71.319999999999993 110.928 -179.929 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -57.78 -22.42 47.06 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.111 -0.495 . . . . 53.329999999999998 111.074 179.947 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 23' ' ' ALA . . . . . 0.435 ' HB2' ' O ' ' A' ' 19' ' ' ALA . . . -75.95 -54.86 6.23 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.197 -0.456 . . . . 51.299999999999997 111.079 179.961 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -65.87 -30.44 71.05 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.251 -0.431 . . . . 62.119999999999997 110.919 179.961 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 25' ' ' LEU . . . . . 0.429 HD23 ' HA ' ' A' ' 25' ' ' LEU . 5.8 mt -77.82 -41.67 36.31 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.223 -0.444 . . . . 73.209999999999994 110.845 179.976 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 5.4 mt -50.38 -50.33 51.86 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 116.215 -0.448 . . . . 71.310000000000002 110.963 179.876 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 1.7 mt-10 -90.78 12.29 19.72 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.13 -0.486 . . . . 65.109999999999999 110.914 179.859 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . -59.71 -14.25 28.5 Favored Glycine 0 N--CA 1.451 -0.351 0 C-N-CA 120.816 -0.707 . . . . 54.549999999999997 112.499 -179.985 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . 135.36 45.25 0.1 OUTLIER Glycine 0 N--CA 1.452 -0.283 0 C-N-CA 120.709 -0.757 . . . . 65.510000000000005 112.518 -179.88 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . -111.85 -44.98 0.85 Allowed Glycine 0 N--CA 1.451 -0.306 0 C-N-CA 120.72 -0.752 . . . . 62.100000000000001 112.432 -179.883 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . -175.88 130.98 1.8 Allowed Glycine 0 N--CA 1.452 -0.275 0 C-N-CA 120.779 -0.724 . . . . 44.439999999999998 112.51 -179.899 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . -137.9 111.29 0.81 Allowed Glycine 0 N--CA 1.451 -0.33 0 C-N-CA 120.773 -0.727 . . . . 72.239999999999995 112.492 -179.942 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -111.39 -45.18 0.87 Allowed Glycine 0 N--CA 1.451 -0.306 0 C-N-CA 120.753 -0.737 . . . . 64.420000000000002 112.472 -179.918 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . -152.26 156.29 26.61 Favored Glycine 0 N--CA 1.452 -0.263 0 C-N-CA 120.655 -0.783 . . . . 71.030000000000001 112.468 -179.884 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . -69.05 -47.05 56.44 Favored Glycine 0 N--CA 1.451 -0.336 0 C-N-CA 120.73 -0.748 . . . . 62.32 112.452 -179.843 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 13.9 tt0 -60.84 -37.05 80.73 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 120.886 0.374 . . . . 73.040000000000006 110.849 -179.89 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 46.5 tp -52.66 -56.74 13.32 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.232 -0.44 . . . . 72.329999999999998 110.967 -179.972 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 38' ' ' MET . . . . . . . . . . . . . 0.9 OUTLIER -67.37 -26.89 66.69 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.177 -0.465 . . . . 62.119999999999997 110.88 179.82 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 22.3 tttt -54.03 -29.65 44.52 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.206 -0.452 . . . . 73.329999999999998 110.853 179.968 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 40' ' ' LEU . . . . . 0.601 ' HB3' HD23 ' B' ' 51' ' ' LEU . 22.3 mt -61.94 -29.47 70.25 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.265 -0.425 . . . . 61.439999999999998 110.877 179.96 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 41' ' ' CYS . . . . . . . . . . . . . 23.0 m -71.88 -49.2 40.03 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.199 -0.455 . . . . 51.340000000000003 110.834 179.981 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 2.1 mt-10 -65.8 -25.98 67.48 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.168 -0.469 . . . . 74.120000000000005 110.876 -179.822 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 2.9 mm-40 -54.99 -28.1 49.3 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.197 -0.456 . . . . 75.5 110.907 -179.923 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -51.94 -43.34 63.43 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.098 -0.501 . . . . 45.310000000000002 111.08 179.894 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -75.09 -23.67 58.01 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.236 -0.438 . . . . 44.310000000000002 111.093 179.929 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -69.06 -46.82 66.87 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 116.291 -0.413 . . . . 75.420000000000002 110.925 179.9 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 3.6 mptp? -66.88 -56.9 8.26 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.208 -0.451 . . . . 73.109999999999999 110.927 179.886 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -54.45 -27.25 36.06 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.247 -0.433 . . . . 43.130000000000003 111.035 179.832 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 4.1 tm-20 -70.28 -44.39 68.48 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.228 -0.442 . . . . 73.349999999999994 110.874 -179.888 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -54.19 -51.03 65.65 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.144 -0.48 . . . . 75.450000000000003 110.93 -179.935 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 51' ' ' LEU . . . . . 0.605 HD23 ' HB3' ' B' ' 40' ' ' LEU . 3.4 pp -73.0 -30.91 64.15 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.1 -0.5 . . . . 61.020000000000003 110.912 -179.963 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 52' ' ' PHE . . . . . . . . . . . . . 61.2 t80 -60.49 -24.03 64.97 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.215 -0.448 . . . . 71.319999999999993 110.893 179.92 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -70.33 -56.67 6.15 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.121 -0.49 . . . . 75.450000000000003 110.955 179.948 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 54' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -72.46 -25.51 61.47 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.138 -0.483 . . . . 64.239999999999995 110.889 179.905 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 55' ' ' ALA . . . . . 0.489 ' O ' HD13 ' A' ' 59' ' ' LEU . . . -56.09 -25.0 43.65 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.211 -0.449 . . . . 73.349999999999994 111.1 179.841 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 7.2 mt-10 -77.0 -26.23 53.61 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.215 -0.448 . . . . 70.329999999999998 110.904 -179.96 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -61.46 -49.31 77.3 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.132 -0.485 . . . . 71.409999999999997 110.882 -179.867 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -78.04 -21.76 50.21 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.201 -0.454 . . . . 72.340000000000003 110.881 -179.966 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 59' ' ' LEU . . . . . 0.901 HD23 ' HB2' ' A' ' 9' ' ' ALA . 6.5 mp -85.13 -77.5 0.28 Allowed 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.213 -0.449 . . . . 72.120000000000005 110.974 179.96 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -100.98 -175.66 2.94 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.238 -0.437 . . . . 63.100000000000001 110.964 179.749 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 8.6 mtpt -114.76 87.14 2.58 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.259 -0.428 . . . . 74.129999999999995 110.878 179.925 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 11.5 mt . . . . . 0 C--N 1.329 -0.302 0 CA-C-N 116.211 -0.449 . . . . 75.420000000000002 110.967 179.907 . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' B' B ' 1' ' ' MET . . . . . 0.597 ' H1 ' ' HB3' ' B' ' 60' ' ' LYS . 0.0 OUTLIER . . . . . 0 C--O 1.232 0.152 0 CA-C-O 120.858 0.361 . . . . 71.409999999999997 110.929 . . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 2' ' ' LYS . . . . . . . . . . . . . 33.9 tptt -72.94 -74.56 0.17 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.241 -0.436 . . . . 60.409999999999997 110.822 -179.939 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 3' ' ' LYS . . . . . 0.428 ' C ' HD22 ' B' ' 4' ' ' LEU . 0.2 OUTLIER -179.38 -37.69 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.203 -0.453 . . . . 74.230000000000004 110.887 179.891 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' B' B ' 4' ' ' LEU . . . . . 0.428 HD22 ' C ' ' B' ' 3' ' ' LYS . 4.3 mm? -116.94 -26.93 6.72 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.248 -0.433 . . . . 72.040000000000006 110.901 179.939 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 5' ' ' ARG . . . . . . . . . . . . . 2.1 mtt85 -72.06 -45.51 60.48 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.216 -0.447 . . . . 74.310000000000002 110.875 179.942 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 6' ' ' GLU . . . . . . . . . . . . . 2.5 tt0 -53.79 -28.27 34.02 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.209 -0.45 . . . . 62.439999999999998 110.836 -179.893 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 7' ' ' GLU . . . . . . . . . . . . . 16.0 mm-40 -54.94 -29.98 57.72 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.211 -0.45 . . . . 72.319999999999993 110.906 -179.897 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 8' ' ' ALA . . . . . . . . . . . . . . . -74.08 -27.02 60.7 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.105 -0.498 . . . . 62.530000000000001 111.124 179.878 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 9' ' ' ALA . . . . . 0.918 ' HB2' HD23 ' B' ' 59' ' ' LEU . . . -64.18 -40.85 96.97 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.237 -0.438 . . . . 64.109999999999999 111.07 179.933 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 10' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -65.67 -35.29 80.35 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.278 -0.419 . . . . 70.129999999999995 110.94 179.957 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 11' ' ' LEU . . . . . . . . . . . . . 50.7 mt -51.94 -44.03 63.74 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.196 -0.456 . . . . 42.049999999999997 110.895 179.92 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 12' ' ' PHE . . . . . . . . . . . . . 22.3 m-85 -73.99 -23.53 59.46 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.227 -0.442 . . . . 62.109999999999999 110.903 179.933 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 13' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -58.62 -37.36 75.71 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.094 -0.503 . . . . 74.420000000000002 110.914 -179.937 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 14' ' ' GLU . . . . . . . . . . . . . 7.4 mt-10 -75.02 -34.89 61.97 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.123 -0.49 . . . . 61.009999999999998 110.898 -179.943 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 15' ' ' TRP . . . . . . . . . . . . . 11.3 m0 -55.36 -47.9 75.08 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.181 -0.463 . . . . 70.209999999999994 110.924 -179.997 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 16' ' ' LYS . . . . . . . . . . . . . 12.4 tttm -76.56 -26.11 54.76 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.224 -0.444 . . . . 71.019999999999996 110.865 179.996 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 17' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -68.12 -58.99 3.58 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.217 -0.447 . . . . 52.109999999999999 110.827 179.925 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 18' ' ' LEU . . . . . . . . . . . . . 19.0 mt -55.26 -32.43 62.34 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.239 -0.437 . . . . 73.140000000000001 110.956 179.912 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 19' ' ' ALA . . . . . 0.437 ' O ' ' HB2' ' B' ' 23' ' ' ALA . . . -63.74 -24.74 67.89 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.113 -0.494 . . . . 72.150000000000006 111.096 179.837 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 20' ' ' GLU . . . . . . . . . . . . . 1.3 mt-10 -73.24 -49.54 27.28 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.212 -0.449 . . . . 55.32 110.871 -179.923 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 21' ' ' GLU . . . . . . . . . . . . . 2.1 mm-40 -74.23 -48.44 28.8 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.151 -0.477 . . . . 73.349999999999994 110.895 -179.929 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 22' ' ' ALA . . . . . . . . . . . . . . . -57.86 -22.2 46.77 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.177 -0.465 . . . . 42.140000000000001 111.135 179.953 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 23' ' ' ALA . . . . . 0.437 ' HB2' ' O ' ' B' ' 19' ' ' ALA . . . -76.01 -54.82 6.29 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.198 -0.456 . . . . 71.409999999999997 111.097 179.897 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 24' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -65.93 -30.41 70.99 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.234 -0.439 . . . . 74.439999999999998 110.932 179.936 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 25' ' ' LEU . . . . . 0.414 HD23 ' HA ' ' B' ' 25' ' ' LEU . 5.8 mt -77.79 -41.64 36.63 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.211 -0.449 . . . . 63.119999999999997 110.923 179.895 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 26' ' ' LEU . . . . . 0.4 HD21 ' CZ ' ' A' ' 12' ' ' PHE . 5.4 mt -50.46 -50.32 52.71 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.16 -0.473 . . . . 55.399999999999999 110.88 179.919 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 27' ' ' GLU . . . . . . . . . . . . . 1.7 mt-10 -90.8 12.19 20.09 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.194 -0.457 . . . . 70.120000000000005 110.883 179.962 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 28' ' ' GLY . . . . . . . . . . . . . . . -59.69 -14.24 28.28 Favored Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.742 -0.742 . . . . 71.109999999999999 112.506 -179.975 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 29' ' ' GLY . . . . . . . . . . . . . . . 135.43 45.21 0.1 OUTLIER Glycine 0 N--CA 1.452 -0.266 0 C-N-CA 120.673 -0.775 . . . . 62.240000000000002 112.46 -179.929 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 30' ' ' GLY . . . . . . . . . . . . . . . -111.81 -44.82 0.86 Allowed Glycine 0 N--CA 1.45 -0.4 0 C-N-CA 120.732 -0.746 . . . . 75.310000000000002 112.537 -179.918 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 31' ' ' GLY . . . . . . . . . . . . . . . -176.01 131.13 1.82 Allowed Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.738 -0.744 . . . . 61.009999999999998 112.45 -179.993 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 32' ' ' GLY . . . . . . . . . . . . . . . -137.95 111.17 0.8 Allowed Glycine 0 N--CA 1.452 -0.248 0 C-N-CA 120.75 -0.738 . . . . 71.439999999999998 112.512 -179.929 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 33' ' ' GLY . . . . . . . . . . . . . . . -111.42 -45.1 0.87 Allowed Glycine 0 N--CA 1.452 -0.292 0 C-N-CA 120.655 -0.783 . . . . 73.420000000000002 112.507 -179.921 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 34' ' ' GLY . . . . . . . . . . . . . . . -152.24 156.24 26.59 Favored Glycine 0 N--CA 1.452 -0.296 0 C-N-CA 120.727 -0.749 . . . . 51.310000000000002 112.493 -179.868 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 35' ' ' GLY . . . . . . . . . . . . . . . -68.86 -47.13 57.13 Favored Glycine 0 N--CA 1.45 -0.387 0 C-N-CA 120.724 -0.751 . . . . 52.030000000000001 112.506 -179.902 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 36' ' ' GLU . . . . . . . . . . . . . 14.0 tt0 -60.81 -37.13 80.91 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 120.925 0.393 . . . . 73.109999999999999 110.848 -179.866 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 37' ' ' LEU . . . . . . . . . . . . . 46.7 tp -52.63 -56.75 13.23 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.18 -0.464 . . . . 72.209999999999994 110.991 179.996 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 38' ' ' MET . . . . . . . . . . . . . 0.9 OUTLIER -67.2 -26.96 66.88 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.226 -0.443 . . . . 70.510000000000005 110.884 179.769 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 39' ' ' LYS . . . . . . . . . . . . . 22.2 tttt -54.06 -29.56 44.64 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.253 -0.431 . . . . 65.430000000000007 110.914 179.952 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 40' ' ' LEU . . . . . 0.605 ' HB3' HD23 ' A' ' 51' ' ' LEU . 22.6 mt -61.84 -29.36 70.12 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.219 -0.446 . . . . 70.439999999999998 110.959 179.872 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 41' ' ' CYS . . . . . . . . . . . . . 23.5 m -71.77 -49.32 39.95 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.176 -0.466 . . . . 73.109999999999999 110.897 179.906 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 42' ' ' GLU . . . . . . . . . . . . . 2.1 mt-10 -65.83 -25.87 67.41 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.179 -0.464 . . . . 74.140000000000001 110.878 -179.843 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 43' ' ' GLU . . . . . . . . . . . . . 2.9 mm-40 -55.0 -28.3 50.92 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 116.18 -0.463 . . . . 75.340000000000003 110.876 -179.966 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 44' ' ' ALA . . . . . . . . . . . . . . . -51.92 -43.25 63.33 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.169 -0.469 . . . . 71.010000000000005 111.127 179.954 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 45' ' ' ALA . . . . . . . . . . . . . . . -75.08 -23.74 58.06 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.193 -0.458 . . . . 60.130000000000003 111.064 179.933 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 46' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -69.18 -46.8 66.6 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.21 -0.45 . . . . 74.349999999999994 110.873 179.984 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 47' ' ' LYS . . . . . . . . . . . . . 3.6 mptp? -66.99 -56.87 8.27 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.252 -0.431 . . . . 71.319999999999993 110.928 179.881 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 48' ' ' ALA . . . . . . . . . . . . . . . -54.39 -27.07 34.08 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.261 -0.427 . . . . 53.229999999999997 111.114 179.799 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 49' ' ' GLU . . . . . . . . . . . . . 4.1 tm-20 -70.43 -44.33 68.11 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.2 -0.455 . . . . 65.549999999999997 110.932 -179.945 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 50' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -54.03 -51.05 65.23 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.13 -0.486 . . . . 71.439999999999998 110.96 179.979 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 51' ' ' LEU . . . . . 0.601 HD23 ' HB3' ' A' ' 40' ' ' LEU . 3.5 pp -73.05 -31.01 64.14 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.119 -0.491 . . . . 62.340000000000003 110.931 -179.991 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 52' ' ' PHE . . . . . . . . . . . . . 60.8 t80 -60.58 -24.02 65.11 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.192 -0.458 . . . . 73.409999999999997 110.89 179.94 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 53' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -70.34 -56.75 5.93 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.104 -0.498 . . . . 73.299999999999997 110.894 179.96 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 54' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -72.4 -25.51 61.52 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.217 -0.447 . . . . 70.239999999999995 110.912 179.883 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 55' ' ' ALA . . . . . 0.507 ' O ' HD13 ' B' ' 59' ' ' LEU . . . -56.08 -24.96 43.34 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.27 -0.423 . . . . 73.019999999999996 111.118 179.855 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 56' ' ' GLU . . . . . . . . . . . . . 7.2 mt-10 -77.11 -26.18 53.02 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.166 -0.47 . . . . 64.030000000000001 110.864 -179.937 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 57' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -61.49 -49.28 77.38 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.15 -0.477 . . . . 63.140000000000001 110.83 -179.88 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 58' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -78.06 -21.83 50.01 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.241 -0.436 . . . . 70.040000000000006 110.816 -179.884 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 59' ' ' LEU . . . . . 0.918 HD23 ' HB2' ' B' ' 9' ' ' ALA . 6.5 mp -85.1 -77.55 0.28 Allowed 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.202 -0.454 . . . . 73.109999999999999 110.874 -179.952 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 60' ' ' LYS . . . . . 0.597 ' HB3' ' H1 ' ' B' ' 1' ' ' MET . 0.0 OUTLIER -100.99 -175.56 2.91 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.195 -0.457 . . . . 73.439999999999998 110.912 179.849 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' B' B ' 61' ' ' LYS . . . . . . . . . . . . . 8.7 mtpt -114.72 86.98 2.54 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.271 -0.422 . . . . 63.509999999999998 110.978 179.822 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 62' ' ' LEU . . . . . . . . . . . . . 11.5 mt . . . . . 0 C--N 1.329 -0.32 0 CA-C-N 116.239 -0.437 . . . . 60.109999999999999 110.884 179.948 . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.232 0.153 0 CA-C-O 120.805 0.336 . . . . 75.040000000000006 110.956 . . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 3' ' ' LYS . . . . . 0.517 ' HB3' HD22 ' A' ' 4' ' ' LEU . 15.9 mttm -153.04 -64.2 0.15 Allowed 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.285 -0.416 . . . . 70.439999999999998 110.877 179.85 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 4' ' ' LEU . . . . . 0.517 HD22 ' HB3' ' A' ' 3' ' ' LYS . 2.3 mm? -116.45 -21.16 9.36 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.224 -0.444 . . . . 74.319999999999993 110.977 179.895 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 7.7 mmt180 -69.63 -43.81 71.89 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.202 -0.454 . . . . 71.409999999999997 110.883 179.941 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 6' ' ' GLU . . . . . 0.726 ' HA ' HD22 ' A' ' 59' ' ' LEU . 0.0 OUTLIER -53.44 -28.59 30.95 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.255 -0.429 . . . . 75.120000000000005 110.887 -179.943 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 4.6 mt-10 -57.6 -28.65 63.83 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.128 -0.487 . . . . 74.200000000000003 110.901 -179.975 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -76.03 -28.26 57.65 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.148 -0.478 . . . . 71.129999999999995 111.087 179.956 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -61.94 -43.23 99.28 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.272 -0.422 . . . . 64.319999999999993 111.078 179.962 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 4.6 mttm -56.12 -31.29 63.18 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.255 -0.429 . . . . 71.230000000000004 110.922 179.927 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 51.8 mt -51.8 -46.25 64.17 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.272 -0.422 . . . . 64.239999999999995 110.972 179.865 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 21.4 m-85 -74.06 -25.16 59.69 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.202 -0.454 . . . . 73.450000000000003 110.869 179.979 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 25.4 tt0 -54.15 -32.88 56.56 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-N 116.101 -0.5 . . . . 61.310000000000002 110.907 -179.949 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 9.2 mt-10 -66.4 -32.56 74.02 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.216 -0.447 . . . . 51.130000000000003 110.898 -179.906 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 15' ' ' TRP . . . . . 0.569 ' CD1' ' HB1' ' A' ' 44' ' ' ALA . 3.5 t90 -67.97 -44.45 76.67 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.105 -0.498 . . . . 72.200000000000003 110.926 -179.967 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 16' ' ' LYS . . . . . 0.41 ' HB2' ' HB3' ' A' ' 48' ' ' ALA . 9.9 ttpt -77.14 -32.12 56.11 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.204 -0.453 . . . . 71.420000000000002 110.992 179.84 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -73.79 -52.36 13.39 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.175 -0.466 . . . . 73.129999999999995 110.95 179.8 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 61.3 mt -55.93 -28.18 55.71 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.163 -0.471 . . . . 73.510000000000005 110.892 179.936 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -72.24 -24.13 61.33 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.204 -0.453 . . . . 63.240000000000002 111.13 179.781 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 10.1 mt-10 -73.43 -49.51 26.61 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.208 -0.451 . . . . 65.230000000000004 110.893 -179.967 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 1.9 mm-40 -74.14 -51.53 15.3 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.199 -0.455 . . . . 74.0 110.92 -179.96 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -53.04 -29.83 32.17 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.187 -0.46 . . . . 41.109999999999999 111.092 179.912 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -71.67 -54.0 11.76 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.262 -0.426 . . . . 70.25 111.078 179.932 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 14.0 ptmt -64.86 -33.07 75.14 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 116.329 -0.396 . . . . 73.439999999999998 110.917 179.961 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 25' ' ' LEU . . . . . 0.409 HD23 ' HA ' ' A' ' 25' ' ' LEU . 4.2 mt -76.27 -41.81 47.68 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.198 -0.455 . . . . 63.329999999999998 110.903 179.885 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 4.0 mt -50.81 -48.16 59.8 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.243 -0.435 . . . . 70.010000000000005 110.951 179.888 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 37.2 mm-40 -95.35 12.49 28.99 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.159 -0.473 . . . . 63.539999999999999 110.821 179.956 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . -59.49 -14.4 27.62 Favored Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.748 -0.739 . . . . 52.229999999999997 112.558 179.99 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . 135.38 45.63 0.1 OUTLIER Glycine 0 N--CA 1.452 -0.276 0 C-N-CA 120.676 -0.773 . . . . 63.340000000000003 112.467 -179.876 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . -137.41 43.74 1.19 Allowed Glycine 0 N--CA 1.452 -0.298 0 C-N-CA 120.743 -0.741 . . . . 53.299999999999997 112.453 -179.869 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . 150.24 60.81 0.01 OUTLIER Glycine 0 N--CA 1.45 -0.371 0 C-N-CA 120.787 -0.72 . . . . 43.210000000000001 112.531 -179.94 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . 54.05 -101.79 0.1 Allowed Glycine 0 N--CA 1.453 -0.219 0 C-N-CA 120.675 -0.774 . . . . 73.219999999999999 112.494 -179.847 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . 179.11 -128.37 1.24 Allowed Glycine 0 N--CA 1.45 -0.367 0 C-N-CA 120.769 -0.729 . . . . 61.539999999999999 112.488 -179.855 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 86.98 123.44 1.66 Allowed Glycine 0 N--CA 1.452 -0.267 0 C-N-CA 120.72 -0.752 . . . . 62.0 112.507 -179.891 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . -70.99 -43.04 58.45 Favored Glycine 0 N--CA 1.452 -0.266 0 C-N-CA 120.697 -0.764 . . . . 71.150000000000006 112.443 -179.857 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 29.7 tt0 -52.09 -36.31 50.49 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 120.929 0.395 . . . . 63.310000000000002 110.924 -179.924 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 23.3 tp -62.85 -39.34 94.07 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.134 -0.485 . . . . 55.329999999999998 110.958 179.998 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 38' ' ' MET . . . . . . . . . . . . . 3.5 ttp -72.62 -25.29 61.25 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.139 -0.482 . . . . 74.230000000000004 110.931 179.806 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 7.2 ttmm -54.06 -29.21 43.31 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.161 -0.472 . . . . 72.340000000000003 110.872 180.0 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 40' ' ' LEU . . . . . 0.813 HD22 HD23 ' B' ' 51' ' ' LEU . 2.7 mt -61.64 -59.05 5.78 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.239 -0.437 . . . . 74.019999999999996 110.912 179.958 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 41' ' ' CYS . . . . . . . . . . . . . 18.2 p -69.08 -24.37 64.13 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.194 -0.457 . . . . 73.129999999999995 110.918 179.966 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 32.7 tt0 -55.75 -25.43 40.62 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 116.141 -0.481 . . . . 71.019999999999996 110.847 -179.833 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 2.7 mm-40 -54.64 -37.86 66.17 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.177 -0.465 . . . . 75.540000000000006 110.857 -179.907 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 44' ' ' ALA . . . . . 0.569 ' HB1' ' CD1' ' A' ' 15' ' ' TRP . . . -51.75 -41.92 61.95 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.206 -0.452 . . . . 51.240000000000002 111.079 179.958 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -75.26 -22.93 57.46 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.237 -0.438 . . . . 75.140000000000001 111.088 179.912 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -75.73 -48.92 19.88 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.233 -0.44 . . . . 71.519999999999996 110.934 179.955 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -54.95 -55.28 32.43 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.25 -0.432 . . . . 70.109999999999999 110.832 179.879 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 48' ' ' ALA . . . . . 0.655 ' HA ' HD12 ' A' ' 51' ' ' LEU . . . -51.94 -36.96 51.07 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.197 -0.456 . . . . 60.149999999999999 111.142 179.866 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 1.4 tt0 -63.79 -45.14 91.07 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.114 -0.494 . . . . 62.030000000000001 110.845 -179.875 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 6.2 mm-40 -74.03 -27.53 60.98 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.145 -0.48 . . . . 73.129999999999995 110.962 -179.968 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 51' ' ' LEU . . . . . 0.676 ' CD2' HD22 ' B' ' 40' ' ' LEU . 11.9 mt -73.1 -53.38 11.18 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.126 -0.488 . . . . 74.030000000000001 110.902 -179.967 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 52' ' ' PHE . . . . . . . . . . . . . 70.2 t80 -55.92 -32.45 63.79 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.223 -0.444 . . . . 45.140000000000001 110.848 179.957 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 1.9 mmmm -51.97 -59.36 4.43 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.134 -0.484 . . . . 62.219999999999999 110.914 -179.988 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 54' ' ' LEU . . . . . . . . . . . . . 4.5 mm? -75.67 -24.13 56.3 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.225 -0.443 . . . . 72.430000000000007 110.957 179.899 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 55' ' ' ALA . . . . . 0.441 ' C ' HD12 ' A' ' 59' ' ' LEU . . . -55.21 -37.67 67.43 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.104 -0.498 . . . . 64.329999999999998 111.071 179.796 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 56' ' ' GLU . . . . . 0.462 ' HB2' HD21 ' A' ' 62' ' ' LEU . 16.2 mt-10 -52.42 -29.42 24.27 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.219 -0.446 . . . . 54.340000000000003 110.863 -179.872 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 3.1 tm-20 -70.1 -47.83 60.18 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.146 -0.479 . . . . 75.329999999999998 110.974 -179.982 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -77.95 -13.61 59.82 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.168 -0.469 . . . . 74.129999999999995 110.858 -179.952 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 59' ' ' LEU . . . . . 0.726 HD22 ' HA ' ' A' ' 6' ' ' GLU . 10.7 mt -94.86 -61.46 1.49 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.203 -0.453 . . . . 70.230000000000004 110.902 -179.961 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 60' ' ' LYS . . . . . 0.519 ' HE3' HD23 ' A' ' 62' ' ' LEU . 0.0 OUTLIER -119.88 -175.94 3.08 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.176 -0.465 . . . . 63.130000000000003 110.886 179.806 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -109.81 89.76 3.11 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.187 -0.46 . . . . 54.119999999999997 110.9 179.893 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 62' ' ' LEU . . . . . 0.519 HD23 ' HE3' ' A' ' 60' ' ' LYS . 0.6 OUTLIER . . . . . 0 C--N 1.328 -0.353 0 CA-C-N 116.233 -0.44 . . . . 61.32 110.913 179.93 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 1' ' ' MET . . . . . . . . . . . . . 1.9 mtt . . . . . 0 C--O 1.232 0.182 0 CA-C-O 120.759 0.314 . . . . 72.019999999999996 110.834 . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' B' B ' 2' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -114.06 177.92 4.46 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 116.27 -0.423 . . . . 63.229999999999997 110.913 179.964 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 3' ' ' LYS . . . . . 0.517 ' HB3' HD22 ' B' ' 4' ' ' LEU . 15.9 mttm -152.97 -64.53 0.16 Allowed 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.229 -0.441 . . . . 75.010000000000005 110.939 179.932 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 4' ' ' LEU . . . . . 0.517 HD22 ' HB3' ' B' ' 3' ' ' LYS . 2.3 mm? -116.49 -21.31 9.26 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.199 -0.455 . . . . 71.230000000000004 110.967 179.891 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 5' ' ' ARG . . . . . . . . . . . . . 7.7 mmt180 -69.36 -43.64 73.17 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.151 -0.477 . . . . 65.230000000000004 110.904 179.959 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 6' ' ' GLU . . . . . 0.715 ' HA ' HD22 ' B' ' 59' ' ' LEU . 0.0 OUTLIER -53.62 -29.04 36.08 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.205 -0.452 . . . . 74.430000000000007 110.882 -179.941 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' B' B ' 7' ' ' GLU . . . . . . . . . . . . . 4.6 mt-10 -57.12 -28.65 62.89 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.156 -0.475 . . . . 72.140000000000001 110.878 -179.979 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 8' ' ' ALA . . . . . . . . . . . . . . . -75.98 -27.78 57.59 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.232 -0.44 . . . . 63.340000000000003 111.129 179.927 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 9' ' ' ALA . . . . . . . . . . . . . . . -63.06 -41.12 99.39 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.231 -0.441 . . . . 73.519999999999996 111.048 179.951 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 10' ' ' LYS . . . . . . . . . . . . . 4.6 mttm -56.3 -32.66 64.8 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.232 -0.44 . . . . 53.130000000000003 110.933 179.969 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 11' ' ' LEU . . . . . . . . . . . . . 48.0 mt -51.82 -45.39 63.92 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.206 -0.452 . . . . 74.200000000000003 110.974 179.907 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 12' ' ' PHE . . . . . . . . . . . . . 22.2 m-85 -74.09 -25.96 60.1 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.137 -0.483 . . . . 74.340000000000003 110.883 179.903 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 13' ' ' GLU . . . . . . . . . . . . . 25.3 tt0 -58.16 -42.77 86.71 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.138 -0.483 . . . . 65.510000000000005 110.932 -179.9 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 14' ' ' GLU . . . . . . . . . . . . . 6.9 mt-10 -75.01 -28.06 60.35 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.129 -0.487 . . . . 62.100000000000001 110.893 -179.974 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 15' ' ' TRP . . . . . . . . . . . . . 2.6 m0 -59.7 -47.52 85.32 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.17 -0.468 . . . . 74.129999999999995 110.971 -179.935 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 16' ' ' LYS . . . . . . . . . . . . . 9.7 ttpt -77.31 -27.04 52.76 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.261 -0.427 . . . . 71.109999999999999 110.865 179.884 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 17' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -67.02 -51.79 50.53 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.302 -0.408 . . . . 72.540000000000006 110.877 179.855 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 18' ' ' LEU . . . . . . . . . . . . . 50.2 mt -56.53 -26.42 54.7 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.215 -0.448 . . . . 55.310000000000002 110.921 179.898 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 19' ' ' ALA . . . . . . . . . . . . . . . -72.72 -21.7 61.0 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.149 -0.478 . . . . 74.230000000000004 111.111 179.8 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 20' ' ' GLU . . . . . . . . . . . . . 11.7 mt-10 -73.14 -49.38 28.63 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.245 -0.434 . . . . 74.5 110.912 -179.913 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 21' ' ' GLU . . . . . . . . . . . . . 1.9 mm-40 -73.96 -51.46 15.94 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.106 -0.497 . . . . 71.239999999999995 110.851 -179.951 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 22' ' ' ALA . . . . . . . . . . . . . . . -53.27 -30.19 37.19 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.177 -0.465 . . . . 72.129999999999995 111.08 179.99 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 23' ' ' ALA . . . . . . . . . . . . . . . -71.32 -54.04 12.17 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.207 -0.452 . . . . 73.400000000000006 111.079 179.942 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 24' ' ' LYS . . . . . . . . . . . . . 14.0 ptmt -64.75 -33.19 75.39 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.234 -0.439 . . . . 72.219999999999999 110.842 179.998 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 25' ' ' LEU . . . . . . . . . . . . . 4.4 mt -76.39 -41.21 48.63 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.285 -0.416 . . . . 53.149999999999999 110.914 179.933 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 26' ' ' LEU . . . . . . . . . . . . . 3.8 mt -50.88 -48.63 60.31 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.214 -0.448 . . . . 71.400000000000006 110.899 179.915 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 27' ' ' GLU . . . . . . . . . . . . . 37.0 mm-40 -95.1 12.61 28.03 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.22 -0.446 . . . . 75.510000000000005 110.912 179.985 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 28' ' ' GLY . . . . . . . . . . . . . . . -59.65 -14.51 29.27 Favored Glycine 0 N--CA 1.451 -0.36 0 C-N-CA 120.734 -0.746 . . . . 71.239999999999995 112.525 -179.988 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 29' ' ' GLY . . . . . . . . . . . . . . . 136.48 46.33 0.08 OUTLIER Glycine 0 N--CA 1.451 -0.349 0 C-N-CA 120.803 -0.713 . . . . 44.109999999999999 112.515 -179.921 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 30' ' ' GLY . . . . . . . . . . . . . . . -136.51 44.3 1.16 Allowed Glycine 0 N--CA 1.451 -0.346 0 C-N-CA 120.728 -0.749 . . . . 51.340000000000003 112.531 -179.936 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 31' ' ' GLY . . . . . . . . . . . . . . . 151.57 63.16 0.01 OUTLIER Glycine 0 N--CA 1.452 -0.283 0 C-N-CA 120.732 -0.746 . . . . 72.430000000000007 112.487 -179.895 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 32' ' ' GLY . . . . . . . . . . . . . . . 57.1 -102.5 0.21 Allowed Glycine 0 N--CA 1.452 -0.283 0 C-N-CA 120.695 -0.764 . . . . 74.319999999999993 112.513 -179.905 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 33' ' ' GLY . . . . . . . . . . . . . . . 178.69 -128.96 1.32 Allowed Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.791 -0.719 . . . . 50.299999999999997 112.475 -179.924 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 34' ' ' GLY . . . . . . . . . . . . . . . 86.61 123.2 1.54 Allowed Glycine 0 N--CA 1.451 -0.346 0 C-N-CA 120.744 -0.741 . . . . 74.120000000000005 112.497 -179.866 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 35' ' ' GLY . . . . . . . . . . . . . . . -70.75 -43.1 60.34 Favored Glycine 0 N--CA 1.452 -0.276 0 C-N-CA 120.696 -0.764 . . . . 55.420000000000002 112.46 -179.899 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 36' ' ' GLU . . . . . . . . . . . . . 29.7 tt0 -52.25 -34.53 46.54 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.909 0.385 . . . . 63.219999999999999 110.904 -179.882 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 37' ' ' LEU . . . . . . . . . . . . . 23.0 tp -61.39 -39.3 90.18 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.109 -0.496 . . . . 75.209999999999994 110.925 -179.967 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 38' ' ' MET . . . . . . . . . . . . . 3.6 ttp -72.63 -26.92 61.85 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.182 -0.463 . . . . 75.230000000000004 110.832 179.861 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 39' ' ' LYS . . . . . . . . . . . . . 7.2 ttmm -56.17 -27.97 56.37 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.246 -0.433 . . . . 73.299999999999997 110.889 179.949 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 40' ' ' LEU . . . . . 0.676 HD22 ' CD2' ' A' ' 51' ' ' LEU . 2.2 mt -59.87 -58.88 6.67 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.275 -0.42 . . . . 62.329999999999998 110.915 179.937 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 41' ' ' CYS . . . . . . . . . . . . . 18.5 p -69.38 -23.74 63.78 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.216 -0.447 . . . . 71.310000000000002 110.892 179.947 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 42' ' ' GLU . . . . . . . . . . . . . 32.8 tt0 -54.96 -25.35 29.04 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.143 -0.48 . . . . 74.209999999999994 110.863 -179.863 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 43' ' ' GLU . . . . . . . . . . . . . 2.8 mm-40 -54.12 -34.78 61.17 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.142 -0.481 . . . . 72.129999999999995 110.922 -179.922 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 44' ' ' ALA . . . . . . . . . . . . . . . -51.66 -41.76 61.6 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.176 -0.466 . . . . 74.209999999999994 111.068 179.938 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 45' ' ' ALA . . . . . . . . . . . . . . . -75.23 -23.45 57.55 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.173 -0.467 . . . . 74.409999999999997 111.082 179.963 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 46' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -78.07 -50.14 12.62 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.316 -0.402 . . . . 75.510000000000005 110.847 179.946 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 47' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -55.55 -55.09 35.98 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.203 -0.453 . . . . 62.119999999999997 110.859 179.961 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 48' ' ' ALA . . . . . 0.704 ' HA ' HD12 ' B' ' 51' ' ' LEU . . . -51.9 -36.83 50.13 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.322 -0.399 . . . . 71.209999999999994 111.085 179.822 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 49' ' ' GLU . . . . . . . . . . . . . 1.4 tt0 -64.0 -45.02 90.84 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.232 -0.44 . . . . 73.409999999999997 110.85 -179.893 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 50' ' ' GLU . . . . . . . . . . . . . 6.2 mm-40 -74.13 -27.17 60.73 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.182 -0.463 . . . . 72.239999999999995 110.846 -179.934 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 51' ' ' LEU . . . . . 0.813 HD23 HD22 ' A' ' 40' ' ' LEU . 12.0 mt -72.68 -52.08 16.74 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.191 -0.459 . . . . 74.400000000000006 110.886 -179.936 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 52' ' ' PHE . . . . . . . . . . . . . 71.5 t80 -54.61 -33.7 60.87 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.157 -0.474 . . . . 73.319999999999993 110.88 179.959 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 53' ' ' LYS . . . . . . . . . . . . . 1.9 mmmm -52.52 -59.27 4.65 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.15 -0.477 . . . . 72.319999999999993 110.859 179.959 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 54' ' ' LEU . . . . . . . . . . . . . 4.5 mm? -75.29 -25.0 57.57 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.288 -0.415 . . . . 63.210000000000001 110.902 179.956 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 55' ' ' ALA . . . . . 0.449 ' C ' HD12 ' B' ' 59' ' ' LEU . . . -53.95 -38.0 64.49 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.218 -0.446 . . . . 74.230000000000004 111.158 179.769 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 56' ' ' GLU . . . . . 0.507 ' HB2' HD21 ' B' ' 62' ' ' LEU . 15.9 mt-10 -52.99 -29.51 29.62 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.175 -0.466 . . . . 73.040000000000006 110.908 -179.934 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 57' ' ' GLU . . . . . . . . . . . . . 3.1 tm-20 -70.37 -47.7 59.74 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.138 -0.483 . . . . 73.109999999999999 110.888 -179.909 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 58' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -77.88 -13.4 59.9 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.163 -0.471 . . . . 74.340000000000003 110.912 -179.965 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 59' ' ' LEU . . . . . 0.715 HD22 ' HA ' ' B' ' 6' ' ' GLU . 11.5 mt -95.11 -60.93 1.57 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.152 -0.476 . . . . 74.120000000000005 110.942 179.962 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 60' ' ' LYS . . . . . 0.507 ' HE3' HD23 ' B' ' 62' ' ' LEU . 0.0 OUTLIER -119.8 -175.64 3.01 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.155 -0.475 . . . . 74.150000000000006 110.889 179.823 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' B' B ' 61' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -109.52 89.66 3.07 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.243 -0.435 . . . . 55.030000000000001 110.908 179.869 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 62' ' ' LEU . . . . . 0.507 HD21 ' HB2' ' B' ' 56' ' ' GLU . 0.6 OUTLIER . . . . . 0 C--N 1.328 -0.327 0 CA-C-N 116.185 -0.461 . . . . 63.439999999999998 110.919 179.968 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER . . . . . 0 C--O 1.231 0.106 0 CA-C-O 120.95 0.405 . . . . 73.409999999999997 110.863 . . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -127.6 -48.62 1.4 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.188 -0.46 . . . . 74.25 110.921 179.813 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 4.4 mm? -52.27 -67.23 0.27 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.243 -0.435 . . . . 74.219999999999999 110.852 179.949 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 8.5 ptp180 -67.33 -36.43 81.43 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.184 -0.462 . . . . 70.239999999999995 110.908 -180.0 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 6' ' ' GLU . . . . . 0.428 ' CA ' HD13 ' A' ' 59' ' ' LEU . 1.2 tm-20 -54.28 -27.6 36.35 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.178 -0.465 . . . . 74.129999999999995 110.859 -179.941 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 2.1 mt-10 -56.49 -55.01 39.13 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.193 -0.458 . . . . 71.299999999999997 110.872 -179.942 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -52.96 -28.58 24.36 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.126 -0.488 . . . . 52.43 111.116 179.947 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 9' ' ' ALA . . . . . 0.43 ' CB ' ' HB1' ' A' ' 55' ' ' ALA . . . -73.94 -41.58 61.84 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.219 -0.446 . . . . 65.549999999999997 111.175 179.907 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -63.17 -34.18 77.08 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.197 -0.456 . . . . 64.549999999999997 110.864 179.982 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 63.4 mt -51.75 -43.97 63.13 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.228 -0.442 . . . . 75.230000000000004 110.973 179.884 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 12' ' ' PHE . . . . . 0.598 ' CE1' HD11 ' B' ' 26' ' ' LEU . 22.9 m-85 -74.16 -24.83 59.45 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.162 -0.472 . . . . 73.319999999999993 110.901 179.938 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 3.8 tt0 -56.37 -41.04 75.55 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.159 -0.473 . . . . 72.519999999999996 110.869 -179.934 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 8.5 mt-10 -65.04 -34.81 79.31 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.175 -0.466 . . . . 64.530000000000001 110.837 -179.955 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 15' ' ' TRP . . . . . 0.442 ' CG ' ' HB2' ' A' ' 48' ' ' ALA . 6.4 t90 -64.24 -46.35 84.18 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.226 -0.443 . . . . 75.549999999999997 110.909 -179.94 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 5.8 ptmm? -77.53 -26.97 51.52 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.26 -0.427 . . . . 63.039999999999999 110.913 179.885 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -75.05 -59.73 2.61 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.215 -0.448 . . . . 63.32 110.916 179.862 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 95.5 mt -54.85 -29.55 55.45 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.231 -0.44 . . . . 74.109999999999999 110.899 179.921 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -66.0 -27.86 68.44 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.148 -0.478 . . . . 75.439999999999998 111.117 179.795 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 2.2 mt-10 -73.42 -49.41 27.16 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.167 -0.469 . . . . 74.329999999999998 110.915 -179.936 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 1.8 mm-40 -72.74 -51.2 20.14 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.138 -0.483 . . . . 73.310000000000002 110.903 -179.956 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -54.09 -30.74 49.57 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.104 -0.498 . . . . 64.310000000000002 111.123 179.896 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -71.07 -54.44 11.12 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.219 -0.446 . . . . 52.450000000000003 111.021 179.953 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -63.54 -34.17 77.2 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.203 -0.453 . . . . 75.310000000000002 110.96 179.986 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 5.8 mt -76.64 -39.22 52.99 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.15 -0.477 . . . . 73.439999999999998 110.943 179.882 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 6.5 mt -50.61 -50.68 53.46 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.236 -0.438 . . . . 73.129999999999995 110.907 179.875 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 7.0 mm-40 -90.74 12.44 19.15 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.176 -0.466 . . . . 71.510000000000005 110.874 -179.991 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . -59.45 -14.52 27.87 Favored Glycine 0 N--CA 1.452 -0.292 0 C-N-CA 120.763 -0.732 . . . . 70.109999999999999 112.423 -179.941 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . 135.47 45.49 0.1 OUTLIER Glycine 0 N--CA 1.452 -0.279 0 C-N-CA 120.72 -0.753 . . . . 74.430000000000007 112.494 -179.844 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . -95.89 -75.66 1.28 Allowed Glycine 0 N--CA 1.452 -0.266 0 C-N-CA 120.769 -0.729 . . . . 64.109999999999999 112.446 -179.879 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . 176.61 126.35 0.96 Allowed Glycine 0 N--CA 1.452 -0.291 0 C-N-CA 120.745 -0.74 . . . . 54.229999999999997 112.436 -179.897 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . -168.66 -152.32 7.64 Favored Glycine 0 N--CA 1.452 -0.278 0 C-N-CA 120.69 -0.767 . . . . 44.240000000000002 112.475 -179.947 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . 179.67 -40.43 0.08 OUTLIER Glycine 0 N--CA 1.451 -0.331 0 C-N-CA 120.821 -0.704 . . . . 63.340000000000003 112.528 -179.872 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . -112.27 152.09 17.9 Favored Glycine 0 N--CA 1.451 -0.335 0 C-N-CA 120.772 -0.727 . . . . 75.400000000000006 112.465 -179.922 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . -63.54 -25.74 69.04 Favored Glycine 0 N--CA 1.451 -0.306 0 C-N-CA 120.694 -0.765 . . . . 54.439999999999998 112.492 -179.961 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 27.9 tt0 -52.71 -31.97 40.46 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.858 0.361 . . . . 72.439999999999998 110.936 -179.906 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 46.7 tp -53.44 -54.78 31.99 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.119 -0.491 . . . . 72.319999999999993 110.938 179.961 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 38' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -70.87 -36.34 72.75 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.196 -0.456 . . . . 53.009999999999998 110.89 179.835 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 30.9 tttt -54.12 -27.93 36.42 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.23 -0.441 . . . . 75.109999999999999 110.867 179.975 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 7.0 mt -69.99 -47.2 63.17 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.272 -0.422 . . . . 62.549999999999997 110.895 179.933 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 41' ' ' CYS . . . . . 0.506 ' HA ' HD11 ' B' ' 51' ' ' LEU . 34.9 t -74.86 -29.92 61.17 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.179 -0.464 . . . . 70.209999999999994 110.827 179.994 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 16.8 mm-40 -58.03 -25.83 61.65 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.202 -0.454 . . . . 73.349999999999994 110.946 -179.955 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 6.1 mm-40 -54.83 -37.37 66.07 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.21 -0.45 . . . . 72.430000000000007 110.839 -179.92 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 44' ' ' ALA . . . . . 0.426 ' HB2' ' CZ3' ' B' ' 15' ' ' TRP . . . -51.78 -41.88 61.99 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.168 -0.469 . . . . 74.400000000000006 111.114 179.952 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -75.16 -22.83 57.83 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.255 -0.429 . . . . 55.130000000000003 111.074 179.919 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -74.97 -49.33 20.34 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.219 -0.446 . . . . 73.400000000000006 110.834 -179.984 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 9.2 mmpt? -72.99 -49.41 29.21 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.229 -0.442 . . . . 72.409999999999997 110.889 179.932 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 48' ' ' ALA . . . . . 0.442 ' HB2' ' CG ' ' A' ' 15' ' ' TRP . . . -51.99 -29.63 21.52 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.238 -0.437 . . . . 72.340000000000003 111.11 179.821 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 16.4 tt0 -74.69 -48.1 27.86 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.235 -0.439 . . . . 73.140000000000001 110.866 -179.966 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -56.02 -43.91 78.2 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.205 -0.452 . . . . 75.099999999999994 110.832 -179.885 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 51' ' ' LEU . . . . . 0.589 HD22 ' CZ ' ' A' ' 12' ' ' PHE . 8.5 mt -73.14 -46.85 48.63 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.144 -0.48 . . . . 62.119999999999997 110.892 -179.975 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 52' ' ' PHE . . . . . . . . . . . . . 65.1 t80 -56.5 -24.96 49.75 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.24 -0.437 . . . . 74.200000000000003 110.878 179.98 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -68.05 -47.71 67.59 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.148 -0.478 . . . . 74.420000000000002 110.889 179.915 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 54' ' ' LEU . . . . . 0.627 HD23 HH12 ' A' ' 58' ' ' ARG . 1.1 tp -73.28 -24.09 60.38 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.29 -0.414 . . . . 71.209999999999994 110.958 179.919 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 55' ' ' ALA . . . . . 0.43 ' HB1' ' CB ' ' A' ' 9' ' ' ALA . . . -55.93 -24.81 40.07 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.17 -0.468 . . . . 63.539999999999999 111.123 179.761 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 56' ' ' GLU . . . . . 0.649 ' HB2' HD11 ' A' ' 62' ' ' LEU . 9.4 mt-10 -77.53 -26.31 50.93 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.211 -0.45 . . . . 71.010000000000005 110.831 -179.942 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 19.7 tp10 -65.43 -49.38 69.41 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.236 -0.438 . . . . 74.409999999999997 110.831 -179.918 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 58' ' ' ARG . . . . . 0.627 HH12 HD23 ' A' ' 54' ' ' LEU . 0.0 OUTLIER -78.62 -15.33 58.65 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.182 -0.463 . . . . 64.310000000000002 110.849 -179.876 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 59' ' ' LEU . . . . . 0.428 HD13 ' CA ' ' A' ' 6' ' ' GLU . 22.2 tp -92.6 -76.99 0.45 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.221 -0.445 . . . . 74.299999999999997 110.867 -179.922 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -102.49 -175.09 2.72 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.201 -0.454 . . . . 70.5 110.917 179.83 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 24.4 tttt -118.21 90.69 3.39 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.248 -0.433 . . . . 73.310000000000002 110.944 179.837 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 62' ' ' LEU . . . . . 0.649 HD11 ' HB2' ' A' ' 56' ' ' GLU . 2.8 mt . . . . . 0 C--N 1.329 -0.32 0 CA-C-N 116.259 -0.428 . . . . 73.0 110.896 179.967 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 1' ' ' MET . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 C--O 1.231 0.087 0 CA-C-O 120.815 0.34 . . . . 55.329999999999998 110.861 . . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 2' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -155.06 -179.94 8.54 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.242 -0.435 . . . . 73.510000000000005 110.956 179.938 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 3' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -127.68 -48.39 1.39 Allowed 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.245 -0.434 . . . . 75.329999999999998 110.929 179.872 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 4' ' ' LEU . . . . . . . . . . . . . 4.4 mm? -52.13 -67.38 0.26 Allowed 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.22 -0.446 . . . . 51.5 110.872 179.915 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 5' ' ' ARG . . . . . . . . . . . . . 8.6 ptp180 -67.32 -36.37 81.33 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.205 -0.452 . . . . 73.040000000000006 110.867 179.941 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 6' ' ' GLU . . . . . 0.44 ' CA ' HD13 ' B' ' 59' ' ' LEU . 1.2 tm-20 -53.97 -28.93 40.57 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.258 -0.428 . . . . 64.549999999999997 110.845 -179.899 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 7' ' ' GLU . . . . . . . . . . . . . 2.1 mt-10 -57.33 -56.37 22.71 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.182 -0.463 . . . . 62.25 110.842 -179.913 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 8' ' ' ALA . . . . . . . . . . . . . . . -54.05 -27.14 30.51 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.159 -0.473 . . . . 61.240000000000002 111.12 179.914 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 9' ' ' ALA . . . . . 0.527 ' CB ' ' HB1' ' B' ' 55' ' ' ALA . . . -73.55 -41.38 63.04 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.23 -0.441 . . . . 41.43 111.102 179.96 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 10' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -62.48 -33.53 75.04 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.228 -0.442 . . . . 51.420000000000002 110.879 179.985 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 11' ' ' LEU . . . . . . . . . . . . . 62.1 mt -51.89 -43.54 63.36 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.215 -0.448 . . . . 73.209999999999994 110.859 179.971 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 12' ' ' PHE . . . . . 0.61 ' CE1' HD13 ' B' ' 51' ' ' LEU . 24.7 m-85 -74.12 -26.76 60.52 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.252 -0.431 . . . . 74.530000000000001 110.855 179.951 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 13' ' ' GLU . . . . . . . . . . . . . 3.7 tt0 -62.96 -45.06 94.25 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.177 -0.465 . . . . 73.409999999999997 110.888 -179.905 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 14' ' ' GLU . . . . . . . . . . . . . 8.4 mt-10 -74.4 -32.5 62.71 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.117 -0.492 . . . . 62.32 110.912 -179.937 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 15' ' ' TRP . . . . . 0.426 ' CZ3' ' HB2' ' A' ' 44' ' ' ALA . 0.6 OUTLIER -60.83 -44.63 96.67 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.162 -0.472 . . . . 70.140000000000001 110.893 -179.961 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' B' B ' 16' ' ' LYS . . . . . . . . . . . . . 5.7 ptmm? -77.08 -24.64 51.85 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.227 -0.442 . . . . 75.319999999999993 110.892 179.929 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 17' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -74.81 -51.44 14.03 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.196 -0.456 . . . . 64.140000000000001 110.931 179.854 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 18' ' ' LEU . . . . . . . . . . . . . 97.5 mt -54.96 -28.45 51.48 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.254 -0.43 . . . . 74.349999999999994 110.843 179.917 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 19' ' ' ALA . . . . . . . . . . . . . . . -64.2 -25.54 68.12 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.244 -0.435 . . . . 65.430000000000007 111.09 179.85 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 20' ' ' GLU . . . . . . . . . . . . . 2.1 mt-10 -73.13 -49.37 28.67 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.203 -0.453 . . . . 61.509999999999998 110.835 -179.89 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 21' ' ' GLU . . . . . . . . . . . . . 1.8 mm-40 -72.16 -51.2 22.39 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.167 -0.469 . . . . 64.400000000000006 110.889 -179.907 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 22' ' ' ALA . . . . . . . . . . . . . . . -54.44 -30.75 53.69 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.115 -0.493 . . . . 52.5 111.155 179.923 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 23' ' ' ALA . . . . . . . . . . . . . . . -71.16 -54.34 11.37 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.168 -0.469 . . . . 75.150000000000006 111.085 179.972 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 24' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -63.42 -34.24 77.31 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.222 -0.445 . . . . 72.439999999999998 110.974 179.902 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 25' ' ' LEU . . . . . 0.416 HD23 ' HA ' ' B' ' 25' ' ' LEU . 6.0 mt -76.68 -39.33 52.48 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.174 -0.466 . . . . 62.219999999999999 110.907 179.915 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 26' ' ' LEU . . . . . 0.598 HD11 ' CE1' ' A' ' 12' ' ' PHE . 6.5 mt -50.69 -50.17 55.58 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.14 -0.482 . . . . 75.219999999999999 110.974 179.917 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 27' ' ' GLU . . . . . . . . . . . . . 7.1 mm-40 -90.8 12.39 19.44 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.221 -0.445 . . . . 74.109999999999999 110.891 179.869 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 28' ' ' GLY . . . . . . . . . . . . . . . -59.25 -14.6 26.81 Favored Glycine 0 N--CA 1.451 -0.356 0 C-N-CA 120.76 -0.734 . . . . 62.25 112.528 179.945 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 29' ' ' GLY . . . . . . . . . . . . . . . 136.46 45.25 0.09 OUTLIER Glycine 0 N--CA 1.452 -0.291 0 C-N-CA 120.719 -0.753 . . . . 73.319999999999993 112.476 -179.931 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 30' ' ' GLY . . . . . . . . . . . . . . . -96.03 -73.15 1.16 Allowed Glycine 0 N--CA 1.451 -0.335 0 C-N-CA 120.764 -0.731 . . . . 72.230000000000004 112.503 -179.93 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 31' ' ' GLY . . . . . . . . . . . . . . . 178.45 124.75 0.88 Allowed Glycine 0 N--CA 1.45 -0.372 0 C-N-CA 120.751 -0.738 . . . . 42.009999999999998 112.495 -179.945 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 32' ' ' GLY . . . . . . . . . . . . . . . -169.74 -150.68 6.95 Favored Glycine 0 N--CA 1.451 -0.335 0 C-N-CA 120.741 -0.743 . . . . 63.210000000000001 112.494 -179.919 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 33' ' ' GLY . . . . . . . . . . . . . . . -179.23 -40.19 0.07 OUTLIER Glycine 0 N--CA 1.451 -0.355 0 C-N-CA 120.784 -0.722 . . . . 73.400000000000006 112.465 -179.865 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 34' ' ' GLY . . . . . . . . . . . . . . . -112.64 152.13 17.98 Favored Glycine 0 N--CA 1.45 -0.383 0 C-N-CA 120.728 -0.749 . . . . 32.439999999999998 112.528 -179.893 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 35' ' ' GLY . . . . . . . . . . . . . . . -63.25 -25.57 68.48 Favored Glycine 0 N--CA 1.451 -0.332 0 C-N-CA 120.714 -0.755 . . . . 41.329999999999998 112.538 -179.95 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 36' ' ' GLU . . . . . . . . . . . . . 27.7 tt0 -52.59 -30.45 31.16 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.879 0.371 . . . . 74.200000000000003 110.907 -179.917 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 37' ' ' LEU . . . . . . . . . . . . . 49.0 tp -51.94 -54.99 23.07 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.103 -0.499 . . . . 73.329999999999998 110.92 -179.973 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 38' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -71.12 -39.14 72.22 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.195 -0.457 . . . . 50.509999999999998 110.82 179.865 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 39' ' ' LYS . . . . . . . . . . . . . 31.1 tttt -56.32 -28.11 57.81 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.248 -0.433 . . . . 72.140000000000001 110.881 -179.984 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 40' ' ' LEU . . . . . . . . . . . . . 6.9 mt -70.98 -46.11 62.88 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.207 -0.451 . . . . 73.019999999999996 110.93 179.963 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 41' ' ' CYS . . . . . . . . . . . . . 29.2 t -74.58 -27.43 60.48 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.178 -0.464 . . . . 53.43 110.894 179.937 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 42' ' ' GLU . . . . . . . . . . . . . 16.7 mm-40 -54.28 -25.76 25.39 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.212 -0.449 . . . . 62.119999999999997 110.896 -179.875 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 43' ' ' GLU . . . . . . . . . . . . . 6.2 mm-40 -55.47 -33.62 63.81 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.167 -0.47 . . . . 45.100000000000001 110.897 -179.981 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 44' ' ' ALA . . . . . . . . . . . . . . . -51.2 -43.49 61.37 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.101 -0.5 . . . . 25.440000000000001 111.118 179.966 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 45' ' ' ALA . . . . . . . . . . . . . . . -75.33 -22.74 57.39 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.16 -0.473 . . . . 62.450000000000003 111.099 179.921 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 46' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -77.43 -50.34 12.9 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.236 -0.438 . . . . 73.299999999999997 110.978 179.882 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 47' ' ' LYS . . . . . . . . . . . . . 9.2 mmpt? -70.6 -54.05 13.53 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.207 -0.452 . . . . 40.420000000000002 110.913 179.823 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 48' ' ' ALA . . . . . . . . . . . . . . . -52.05 -29.55 21.73 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.222 -0.445 . . . . 75.319999999999993 111.096 179.849 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 49' ' ' GLU . . . . . . . . . . . . . 16.4 tt0 -77.08 -48.17 18.54 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.215 -0.448 . . . . 63.299999999999997 110.849 -179.932 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 50' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -53.96 -39.62 66.12 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.135 -0.484 . . . . 71.129999999999995 110.926 -179.921 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 51' ' ' LEU . . . . . 0.61 HD13 ' CE1' ' B' ' 12' ' ' PHE . 8.3 mt -72.27 -42.84 65.11 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.135 -0.484 . . . . 35.210000000000001 110.928 -179.993 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 52' ' ' PHE . . . . . . . . . . . . . 65.8 t80 -56.08 -25.24 44.57 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.214 -0.448 . . . . 73.540000000000006 110.932 179.886 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 53' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -67.9 -47.95 67.38 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.085 -0.507 . . . . 72.239999999999995 110.846 -179.995 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 54' ' ' LEU . . . . . 0.618 HD23 HH12 ' B' ' 58' ' ' ARG . 1.1 tp -72.63 -24.05 61.01 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.2 -0.455 . . . . 71.230000000000004 110.912 179.919 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 55' ' ' ALA . . . . . 0.527 ' HB1' ' CB ' ' B' ' 9' ' ' ALA . . . -55.99 -24.8 41.03 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.232 -0.44 . . . . 52.43 111.175 179.765 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 56' ' ' GLU . . . . . 0.624 ' HB2' HD11 ' B' ' 62' ' ' LEU . 9.6 mt-10 -77.57 -26.07 50.55 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.176 -0.466 . . . . 74.019999999999996 110.924 -179.956 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 57' ' ' GLU . . . . . . . . . . . . . 19.7 tp10 -65.35 -49.27 70.0 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.172 -0.467 . . . . 65.150000000000006 110.884 -179.951 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 58' ' ' ARG . . . . . 0.618 HH12 HD23 ' B' ' 54' ' ' LEU . 0.0 OUTLIER -78.72 -15.61 58.24 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.202 -0.453 . . . . 74.219999999999999 110.84 -179.919 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' B' B ' 59' ' ' LEU . . . . . 0.44 HD13 ' CA ' ' B' ' 6' ' ' GLU . 22.7 tp -92.06 -77.05 0.44 Allowed 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.187 -0.46 . . . . 62.399999999999999 110.937 179.986 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 60' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -102.42 -175.2 2.76 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.234 -0.439 . . . . 75.430000000000007 110.899 179.821 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 61' ' ' LYS . . . . . . . . . . . . . 24.4 tttt -118.43 90.65 3.38 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.242 -0.436 . . . . 64.340000000000003 110.906 179.887 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 62' ' ' LEU . . . . . 0.624 HD11 ' HB2' ' B' ' 56' ' ' GLU . 2.8 mt . . . . . 0 C--N 1.328 -0.345 0 CA-C-N 116.24 -0.436 . . . . 50.119999999999997 110.946 179.934 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.231 0.116 0 CA-C-O 120.823 0.344 . . . . 64.239999999999995 110.889 . . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 11.5 tttt -139.19 -74.13 0.38 Allowed 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.236 -0.438 . . . . 72.530000000000001 110.873 179.837 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 4' ' ' LEU . . . . . 0.527 HD23 ' H ' ' A' ' 4' ' ' LEU . 2.1 pt? -125.36 -1.56 7.55 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.243 -0.435 . . . . 64.439999999999998 110.864 -179.997 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 16.5 mmt180 -64.9 -29.36 70.31 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.216 -0.447 . . . . 72.25 110.845 179.981 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 1.8 mt-10 -57.27 -28.13 62.71 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.171 -0.468 . . . . 70.430000000000007 110.883 -179.932 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 3.4 mm-40 -54.76 -35.51 63.84 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.22 -0.445 . . . . 63.219999999999999 110.943 -179.98 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -72.0 -27.0 62.45 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.11 -0.495 . . . . 74.209999999999994 111.07 179.972 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 9' ' ' ALA . . . . . 0.476 ' N ' HD22 ' A' ' 59' ' ' LEU . . . -60.67 -40.35 91.78 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.203 -0.453 . . . . 72.299999999999997 111.096 179.947 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 11.9 mtmt -58.56 -30.49 67.18 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.175 -0.466 . . . . 61.119999999999997 110.894 179.975 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 61.3 mt -51.92 -44.59 63.92 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.227 -0.442 . . . . 74.219999999999999 110.878 179.939 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 24.3 m-85 -73.94 -25.86 60.19 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.172 -0.467 . . . . 71.129999999999995 110.916 179.978 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 1.2 tt0 -58.44 -38.49 77.59 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.145 -0.48 . . . . 53.340000000000003 110.933 -179.969 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 22.7 mt-10 -74.0 -35.12 64.4 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.136 -0.483 . . . . 64.439999999999998 110.897 -179.935 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 15' ' ' TRP . . . . . . . . . . . . . 14.3 m0 -54.98 -53.16 59.22 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.15 -0.477 . . . . 74.409999999999997 110.87 -179.929 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -70.94 -26.03 63.01 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.201 -0.454 . . . . 71.430000000000007 110.896 -179.985 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -69.08 -60.02 2.64 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.194 -0.457 . . . . 62.119999999999997 110.939 179.844 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 18' ' ' LEU . . . . . 1.037 HD13 HD13 ' B' ' 18' ' ' LEU . 2.5 mt -56.53 -25.19 51.1 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.289 -0.414 . . . . 72.519999999999996 110.895 179.857 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -73.34 -29.53 62.73 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.249 -0.432 . . . . 75.140000000000001 111.079 179.838 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 21.1 tt0 -73.14 -49.95 25.42 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.248 -0.433 . . . . 71.510000000000005 110.89 -179.862 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 9.6 pt-20 -56.79 -46.42 81.57 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.073 -0.512 . . . . 63.140000000000001 110.915 -179.958 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -64.2 -32.95 74.72 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.121 -0.49 . . . . 73.129999999999995 111.12 179.928 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -70.95 -49.71 42.59 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.16 -0.473 . . . . 64.239999999999995 111.124 179.938 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -64.45 -36.66 84.9 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.244 -0.435 . . . . 71.510000000000005 110.839 179.936 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 11.2 mt -76.65 -38.75 54.04 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.307 -0.406 . . . . 71.430000000000007 110.934 179.942 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 6.2 mt -50.22 -46.31 54.55 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.212 -0.449 . . . . 73.319999999999993 110.957 179.828 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 37.1 mt-10 -89.4 -11.6 42.72 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.161 -0.472 . . . . 52.43 110.93 179.913 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . 67.32 29.86 74.73 Favored Glycine 0 N--CA 1.452 -0.276 0 C-N-CA 120.706 -0.759 . . . . 61.140000000000001 112.495 -179.98 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . 85.85 19.96 56.77 Favored Glycine 0 N--CA 1.452 -0.29 0 C-N-CA 120.685 -0.769 . . . . 52.310000000000002 112.507 -179.885 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . 134.39 112.71 1.3 Allowed Glycine 0 N--CA 1.452 -0.285 0 C-N-CA 120.737 -0.744 . . . . 53.310000000000002 112.466 -179.872 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . 143.12 -157.12 26.79 Favored Glycine 0 N--CA 1.45 -0.386 0 C-N-CA 120.76 -0.733 . . . . 72.040000000000006 112.522 -179.934 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . 91.48 166.21 40.08 Favored Glycine 0 N--CA 1.452 -0.286 0 C-N-CA 120.766 -0.731 . . . . 65.530000000000001 112.44 -179.902 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -76.16 80.45 1.11 Allowed Glycine 0 N--CA 1.451 -0.35 0 C-N-CA 120.696 -0.764 . . . . 34.119999999999997 112.492 -179.91 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 74.7 173.12 30.39 Favored Glycine 0 N--CA 1.452 -0.235 0 C-N-CA 120.676 -0.773 . . . . 61.420000000000002 112.422 -179.943 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . -100.56 -22.53 11.21 Favored Glycine 0 N--CA 1.451 -0.326 0 C-N-CA 120.77 -0.728 . . . . 73.120000000000005 112.489 -179.932 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 2.9 tt0 -61.38 -41.88 97.81 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.907 0.384 . . . . 71.230000000000004 110.865 -179.905 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 52.6 tp -58.41 -48.95 78.99 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.087 -0.506 . . . . 74.310000000000002 110.896 -179.936 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 38' ' ' MET . . . . . . . . . . . . . 1.3 ttp -72.12 -28.19 63.11 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.168 -0.469 . . . . 74.230000000000004 110.891 179.859 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -54.89 -28.16 48.36 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.236 -0.438 . . . . 74.540000000000006 110.933 179.934 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 16.9 mt -72.07 -33.45 67.93 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.217 -0.447 . . . . 61.329999999999998 110.876 179.958 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 41' ' ' CYS . . . . . . . . . . . . . 33.4 m -72.0 -39.27 69.35 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 116.187 -0.46 . . . . 64.209999999999994 110.848 179.942 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 2.7 tt0 -61.33 -26.52 67.86 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.231 -0.441 . . . . 63.340000000000003 110.897 -179.854 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 3.6 mm-40 -55.44 -26.31 41.32 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.125 -0.489 . . . . 73.409999999999997 110.886 -179.998 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -52.5 -43.68 65.21 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.188 -0.46 . . . . 62.32 111.139 179.966 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -75.07 -25.13 58.37 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.225 -0.443 . . . . 70.219999999999999 111.064 179.939 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -67.86 -46.06 72.81 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.202 -0.453 . . . . 62.530000000000001 110.935 179.967 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -55.49 -54.33 45.28 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.222 -0.445 . . . . 64.219999999999999 110.901 179.832 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -61.11 -31.45 71.15 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.213 -0.449 . . . . 53.450000000000003 111.132 179.808 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 9.6 mt-10 -74.09 -30.19 62.22 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.223 -0.444 . . . . 72.310000000000002 110.877 -179.946 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 18.1 tt0 -71.38 -50.8 28.51 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.1 -0.5 . . . . 62.049999999999997 110.914 -179.867 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 2.5 pp -69.64 -29.36 66.82 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.108 -0.496 . . . . 74.430000000000007 110.893 -179.986 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 52' ' ' PHE . . . . . . . . . . . . . 83.8 t80 -56.39 -26.56 53.49 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.15 -0.477 . . . . 75.040000000000006 110.922 179.922 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -57.41 -57.58 12.03 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.175 -0.466 . . . . 74.329999999999998 110.916 179.948 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 54' ' ' LEU . . . . . . . . . . . . . 9.5 mt -73.9 -43.8 57.28 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.212 -0.449 . . . . 73.409999999999997 110.924 179.9 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -57.56 -27.21 62.46 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.183 -0.462 . . . . 70.409999999999997 111.079 179.863 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 1.8 tt0 -62.69 -32.55 73.65 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.21 -0.45 . . . . 75.430000000000007 110.902 -179.917 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 30.4 tt0 -59.0 -54.23 49.5 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.162 -0.472 . . . . 54.149999999999999 110.834 -179.913 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -77.62 -29.03 51.62 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.154 -0.475 . . . . 70.540000000000006 110.85 -179.905 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 59' ' ' LEU . . . . . 0.476 HD22 ' N ' ' A' ' 9' ' ' ALA . 19.7 mt -67.11 -59.73 3.21 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.298 -0.41 . . . . 75.439999999999998 110.87 -179.943 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -122.95 -89.24 0.6 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.239 -0.437 . . . . 75.019999999999996 110.848 179.874 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 174.24 34.59 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.238 -0.437 . . . . 73.209999999999994 110.862 179.842 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 C--N 1.328 -0.347 0 CA-C-N 116.192 -0.458 . . . . 64.510000000000005 110.938 179.91 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 1' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.231 0.117 0 CA-C-O 120.777 0.322 . . . . 72.340000000000003 110.896 . . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 2' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -86.4 164.32 17.1 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.227 -0.442 . . . . 74.040000000000006 110.973 179.902 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 3' ' ' LYS . . . . . . . . . . . . . 11.5 tttt -139.12 -74.21 0.38 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.258 -0.428 . . . . 71.209999999999994 110.901 179.896 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 4' ' ' LEU . . . . . 0.517 HD23 ' H ' ' B' ' 4' ' ' LEU . 2.1 pt? -125.32 -1.61 7.58 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.155 -0.475 . . . . 75.409999999999997 110.894 179.933 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 5' ' ' ARG . . . . . . . . . . . . . 16.5 mmt180 -64.9 -29.37 70.31 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.213 -0.449 . . . . 51.439999999999998 110.87 179.995 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 6' ' ' GLU . . . . . . . . . . . . . 1.8 mt-10 -57.37 -28.23 63.0 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.206 -0.452 . . . . 74.450000000000003 110.875 -179.919 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 7' ' ' GLU . . . . . . . . . . . . . 3.4 mm-40 -54.77 -35.49 63.85 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.112 -0.494 . . . . 73.010000000000005 110.925 -179.933 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 8' ' ' ALA . . . . . 0.41 ' HB3' ' CD2' ' B' ' 59' ' ' LEU . . . -72.1 -27.08 62.41 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.121 -0.49 . . . . 64.019999999999996 111.079 179.929 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 9' ' ' ALA . . . . . 0.477 ' N ' HD22 ' B' ' 59' ' ' LEU . . . -60.67 -40.31 91.6 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.251 -0.431 . . . . 74.299999999999997 111.125 179.924 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 10' ' ' LYS . . . . . . . . . . . . . 11.9 mtmt -58.54 -30.5 67.16 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.276 -0.42 . . . . 71.349999999999994 110.91 179.925 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 11' ' ' LEU . . . . . . . . . . . . . 60.9 mt -52.03 -44.49 64.21 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.246 -0.434 . . . . 63.25 110.889 179.982 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 12' ' ' PHE . . . . . . . . . . . . . 24.3 m-85 -73.96 -25.9 60.19 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.187 -0.461 . . . . 72.010000000000005 110.889 179.927 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 13' ' ' GLU . . . . . . . . . . . . . 1.3 tt0 -58.59 -38.33 77.7 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.111 -0.495 . . . . 73.329999999999998 110.798 -179.845 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 14' ' ' GLU . . . . . . . . . . . . . 22.8 mt-10 -74.11 -34.89 64.09 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.209 -0.45 . . . . 74.530000000000001 110.875 -179.9 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 15' ' ' TRP . . . . . . . . . . . . . 14.1 m0 -55.05 -53.12 59.86 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 116.126 -0.488 . . . . 75.049999999999997 110.95 -179.935 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 16' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -70.96 -26.14 63.04 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.201 -0.454 . . . . 73.109999999999999 110.882 179.888 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 17' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -68.99 -59.99 2.67 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.233 -0.44 . . . . 72.140000000000001 110.948 179.854 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 18' ' ' LEU . . . . . 1.037 HD13 HD13 ' A' ' 18' ' ' LEU . 2.5 mt -56.75 -25.13 54.21 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.145 -0.479 . . . . 63.32 110.889 179.905 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 19' ' ' ALA . . . . . . . . . . . . . . . -73.37 -29.6 62.74 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.217 -0.447 . . . . 73.319999999999993 111.073 179.79 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 20' ' ' GLU . . . . . . . . . . . . . 21.1 tt0 -73.07 -49.9 25.94 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.206 -0.452 . . . . 75.310000000000002 110.965 -179.87 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 21' ' ' GLU . . . . . . . . . . . . . 9.7 pt-20 -56.82 -46.5 81.62 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.127 -0.488 . . . . 75.019999999999996 110.897 179.989 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 22' ' ' ALA . . . . . . . . . . . . . . . -64.13 -32.97 74.74 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.16 -0.473 . . . . 74.209999999999994 111.137 179.918 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 23' ' ' ALA . . . . . . . . . . . . . . . -70.86 -49.77 42.47 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.193 -0.458 . . . . 70.310000000000002 111.096 179.94 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 24' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -64.49 -36.62 84.79 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.195 -0.457 . . . . 73.430000000000007 110.897 179.987 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 25' ' ' LEU . . . . . 0.421 HD23 ' HA ' ' B' ' 25' ' ' LEU . 11.2 mt -76.66 -38.75 54.01 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.179 -0.464 . . . . 70.299999999999997 110.871 179.947 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 26' ' ' LEU . . . . . . . . . . . . . 6.1 mt -50.38 -46.18 55.87 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.25 -0.432 . . . . 71.540000000000006 110.954 179.94 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 27' ' ' GLU . . . . . . . . . . . . . 37.3 mt-10 -89.39 -11.7 42.46 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 116.204 -0.453 . . . . 75.239999999999995 110.885 179.882 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 28' ' ' GLY . . . . . . . . . . . . . . . 67.31 29.93 74.83 Favored Glycine 0 N--CA 1.452 -0.268 0 C-N-CA 120.764 -0.731 . . . . 74.420000000000002 112.507 -179.924 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 29' ' ' GLY . . . . . . . . . . . . . . . 85.78 20.07 56.69 Favored Glycine 0 N--CA 1.451 -0.339 0 C-N-CA 120.749 -0.738 . . . . 32.5 112.541 -179.93 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 30' ' ' GLY . . . . . . . . . . . . . . . 134.37 112.64 1.29 Allowed Glycine 0 N--CA 1.45 -0.374 0 C-N-CA 120.779 -0.724 . . . . 73.409999999999997 112.461 -179.903 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 31' ' ' GLY . . . . . . . . . . . . . . . 143.22 -157.05 26.8 Favored Glycine 0 N--CA 1.451 -0.348 0 C-N-CA 120.679 -0.772 . . . . 70.319999999999993 112.427 -179.976 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 32' ' ' GLY . . . . . . . . . . . . . . . 91.39 166.18 40.17 Favored Glycine 0 N--CA 1.452 -0.271 0 C-N-CA 120.71 -0.757 . . . . 54.350000000000001 112.466 -179.924 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 33' ' ' GLY . . . . . . . . . . . . . . . -76.14 80.57 1.1 Allowed Glycine 0 N--CA 1.452 -0.295 0 C-N-CA 120.697 -0.763 . . . . 52.109999999999999 112.447 -179.87 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 34' ' ' GLY . . . . . . . . . . . . . . . 74.59 173.14 30.02 Favored Glycine 0 N--CA 1.45 -0.376 0 C-N-CA 120.755 -0.736 . . . . 54.0 112.444 -179.988 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 35' ' ' GLY . . . . . . . . . . . . . . . -100.58 -22.54 11.16 Favored Glycine 0 N--CA 1.452 -0.245 0 C-N-CA 120.719 -0.753 . . . . 54.439999999999998 112.462 -179.88 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 36' ' ' GLU . . . . . . . . . . . . . 2.9 tt0 -61.44 -41.73 97.65 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.85 0.357 . . . . 64.129999999999995 110.966 -179.941 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 37' ' ' LEU . . . . . . . . . . . . . 52.5 tp -58.41 -48.88 79.23 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.145 -0.48 . . . . 62.450000000000003 110.957 179.943 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 38' ' ' MET . . . . . . . . . . . . . 1.3 ttp -72.18 -28.2 63.06 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.108 -0.496 . . . . 72.430000000000007 110.912 179.854 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 39' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -54.96 -28.22 49.73 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.238 -0.437 . . . . 74.400000000000006 110.915 179.937 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 40' ' ' LEU . . . . . . . . . . . . . 16.9 mt -72.01 -33.45 68.07 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.243 -0.435 . . . . 70.200000000000003 110.942 179.874 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 41' ' ' CYS . . . . . . . . . . . . . 33.4 m -71.87 -39.35 69.71 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.181 -0.463 . . . . 53.109999999999999 110.883 179.902 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 42' ' ' GLU . . . . . . . . . . . . . 2.7 tt0 -61.27 -26.55 67.84 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.214 -0.448 . . . . 74.400000000000006 110.87 -179.84 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 43' ' ' GLU . . . . . . . . . . . . . 3.6 mm-40 -55.51 -26.21 41.59 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.232 -0.44 . . . . 74.5 110.901 -179.974 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 44' ' ' ALA . . . . . . . . . . . . . . . -52.53 -43.75 65.34 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.173 -0.467 . . . . 72.109999999999999 111.053 179.969 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 45' ' ' ALA . . . . . . . . . . . . . . . -75.0 -25.12 58.59 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.206 -0.452 . . . . 72.439999999999998 111.02 179.988 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 46' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -68.03 -46.14 72.02 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.237 -0.438 . . . . 72.349999999999994 110.899 -179.931 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 47' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -55.59 -54.22 46.76 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.152 -0.476 . . . . 75.510000000000005 110.907 179.899 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 48' ' ' ALA . . . . . . . . . . . . . . . -61.07 -31.6 71.26 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.21 -0.45 . . . . 74.430000000000007 111.133 179.763 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 49' ' ' GLU . . . . . . . . . . . . . 9.7 mt-10 -74.06 -30.17 62.26 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.189 -0.459 . . . . 73.109999999999999 110.89 -179.923 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 50' ' ' GLU . . . . . . . . . . . . . 18.0 tt0 -71.33 -50.87 28.04 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.147 -0.478 . . . . 70.450000000000003 110.859 -179.929 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 51' ' ' LEU . . . . . . . . . . . . . 2.5 pp -69.7 -29.32 66.7 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.197 -0.456 . . . . 74.319999999999993 110.887 -179.901 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 52' ' ' PHE . . . . . . . . . . . . . 83.8 t80 -56.47 -26.59 54.52 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.227 -0.442 . . . . 74.209999999999994 110.844 179.947 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 53' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -57.37 -57.65 11.71 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.106 -0.497 . . . . 62.200000000000003 110.9 179.961 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 54' ' ' LEU . . . . . . . . . . . . . 9.5 mt -73.71 -43.91 57.92 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.202 -0.454 . . . . 64.420000000000002 110.928 179.884 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 55' ' ' ALA . . . . . . . . . . . . . . . -57.51 -27.3 62.43 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.205 -0.452 . . . . 73.120000000000005 111.116 179.831 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 56' ' ' GLU . . . . . . . . . . . . . 1.7 tt0 -62.59 -32.67 73.7 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.2 -0.454 . . . . 75.150000000000006 110.916 -179.967 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 57' ' ' GLU . . . . . . . . . . . . . 30.3 tt0 -58.97 -54.13 50.55 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.086 -0.506 . . . . 72.219999999999999 110.957 -179.941 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 58' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -77.68 -28.99 51.26 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.105 -0.498 . . . . 64.239999999999995 110.842 -179.918 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 59' ' ' LEU . . . . . 0.477 HD22 ' N ' ' B' ' 9' ' ' ALA . 19.7 mt -67.19 -59.74 3.19 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.174 -0.466 . . . . 65.349999999999994 110.892 -179.885 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 60' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -122.91 -89.21 0.6 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.146 -0.479 . . . . 70.329999999999998 110.869 179.818 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 61' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 174.23 34.46 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.209 -0.45 . . . . 73.200000000000003 110.874 179.875 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 62' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 C--N 1.328 -0.347 0 CA-C-N 116.232 -0.44 . . . . 72.120000000000005 110.908 179.894 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 C--O 1.231 0.08 0 CA-C-O 120.884 0.373 . . . . 72.5 110.889 . . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 3' ' ' LYS . . . . . 0.612 ' O ' HD22 ' A' ' 4' ' ' LEU . 12.3 mttt -150.5 25.14 0.78 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.185 -0.461 . . . . 75.219999999999999 110.907 179.864 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 4' ' ' LEU . . . . . 0.612 HD22 ' O ' ' A' ' 3' ' ' LYS . 0.3 OUTLIER -146.26 -66.52 0.29 Allowed 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.172 -0.467 . . . . 64.510000000000005 110.911 179.936 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 15.9 mtt180 -71.96 -35.7 69.62 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.168 -0.469 . . . . 65.310000000000002 110.893 179.953 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -53.91 -26.62 26.1 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.2 -0.455 . . . . 73.099999999999994 110.865 -179.907 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 1.4 mm-40 -53.48 -38.0 63.24 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.176 -0.465 . . . . 75.25 110.794 -179.93 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -65.61 -26.79 67.99 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.209 -0.45 . . . . 74.209999999999994 111.209 179.869 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 9' ' ' ALA . . . . . 0.883 ' HB2' HD23 ' A' ' 59' ' ' LEU . . . -63.07 -43.95 97.16 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.153 -0.476 . . . . 70.310000000000002 111.105 179.887 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 9.2 mtpt -66.03 -32.82 74.51 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.244 -0.435 . . . . 71.400000000000006 110.947 179.961 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 61.7 mt -52.17 -45.12 64.97 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.202 -0.454 . . . . 63.210000000000001 110.869 179.908 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 23.4 m-85 -72.93 -23.81 60.73 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.203 -0.453 . . . . 54.439999999999998 110.88 179.953 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -57.95 -33.97 69.41 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.151 -0.477 . . . . 52.43 110.889 -179.946 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 7.0 mt-10 -75.22 -35.14 61.49 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.187 -0.461 . . . . 64.140000000000001 110.873 -179.908 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 15' ' ' TRP . . . . . 0.511 ' HZ2' ' HB3' ' B' ' 22' ' ' ALA . 28.7 m0 -53.97 -52.73 59.75 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.188 -0.46 . . . . 71.349999999999994 110.896 -179.935 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 6.6 tttt -67.87 -24.7 65.27 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.259 -0.428 . . . . 74.439999999999998 110.95 179.872 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -72.77 -52.52 14.71 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.204 -0.453 . . . . 74.140000000000001 110.888 179.829 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 18' ' ' LEU . . . . . 1.029 HD13 HD13 ' B' ' 18' ' ' LEU . 2.0 mt -55.73 -25.01 38.32 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.275 -0.421 . . . . 73.140000000000001 111.004 179.87 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -73.15 -28.83 62.46 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.123 -0.49 . . . . 70.099999999999994 111.115 179.772 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 1.9 mm-40 -73.03 -49.47 28.57 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.209 -0.451 . . . . 75.150000000000006 110.878 -179.884 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 6.7 pt-20 -58.44 -36.51 73.76 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.103 -0.499 . . . . 71.530000000000001 110.874 -179.909 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 22' ' ' ALA . . . . . 0.451 ' HB3' ' HZ2' ' B' ' 15' ' ' TRP . . . -75.46 -33.1 60.82 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.111 -0.495 . . . . 62.520000000000003 111.07 179.949 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -70.73 -51.99 23.75 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.262 -0.426 . . . . 73.450000000000003 111.088 179.904 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -61.08 -37.44 82.7 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.241 -0.436 . . . . 74.239999999999995 110.904 -179.99 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 25' ' ' LEU . . . . . 0.406 HD23 ' HA ' ' A' ' 25' ' ' LEU . 14.5 mt -76.82 -38.5 53.73 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 116.252 -0.431 . . . . 74.299999999999997 110.886 179.885 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 5.2 mt -50.09 -43.4 51.5 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.183 -0.462 . . . . 75.310000000000002 110.924 179.896 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 2.2 mt-10 -93.19 -12.17 30.95 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.171 -0.468 . . . . 63.5 110.893 179.937 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . 60.92 17.51 51.29 Favored Glycine 0 N--CA 1.452 -0.296 0 C-N-CA 120.708 -0.758 . . . . 71.040000000000006 112.472 179.987 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . 87.93 20.6 49.59 Favored Glycine 0 N--CA 1.45 -0.379 0 C-N-CA 120.778 -0.725 . . . . 54.329999999999998 112.508 -179.938 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . 139.1 80.45 0.07 OUTLIER Glycine 0 N--CA 1.451 -0.331 0 C-N-CA 120.679 -0.772 . . . . 72.129999999999995 112.47 -179.894 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . -159.96 156.79 28.03 Favored Glycine 0 N--CA 1.452 -0.291 0 C-N-CA 120.74 -0.743 . . . . 74.120000000000005 112.408 -179.902 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . 57.34 -118.37 12.3 Favored Glycine 0 C--N 1.331 0.264 0 C-N-CA 120.72 -0.752 . . . . 74.510000000000005 112.494 -179.92 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -158.41 -81.55 0.04 OUTLIER Glycine 0 N--CA 1.451 -0.306 0 C-N-CA 120.678 -0.772 . . . . 41.520000000000003 112.431 -179.899 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 121.67 -93.21 0.51 Allowed Glycine 0 N--CA 1.451 -0.316 0 C-N-CA 120.761 -0.733 . . . . 52.439999999999998 112.463 -179.916 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 54.99 -104.71 0.29 Allowed Glycine 0 N--CA 1.452 -0.275 0 C-N-CA 120.729 -0.748 . . . . 43.200000000000003 112.504 -179.899 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 67.5 tt0 -76.38 -26.19 55.35 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.869 0.366 . . . . 72.25 110.88 -179.872 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 18.0 tp -57.59 -58.03 10.11 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.165 -0.47 . . . . 75.010000000000005 110.92 179.982 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 38' ' ' MET . . . . . . . . . . . . . 35.1 ttm -63.72 -33.55 75.91 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.163 -0.472 . . . . 73.310000000000002 110.902 179.841 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 2.1 tttp -53.85 -35.06 61.08 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.204 -0.453 . . . . 70.420000000000002 110.873 179.943 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 61.7 mt -74.09 -36.21 64.26 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.179 -0.464 . . . . 63.109999999999999 110.908 179.922 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 41' ' ' CYS . . . . . . . . . . . . . 22.2 m -75.18 -28.25 59.97 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.204 -0.453 . . . . 62.039999999999999 110.912 179.923 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 2.6 mt-10 -61.61 -26.88 68.26 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.222 -0.445 . . . . 62.409999999999997 110.883 -179.893 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 3.0 mm-40 -55.66 -36.86 67.54 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.16 -0.473 . . . . 71.510000000000005 110.923 -179.936 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -51.87 -41.84 62.2 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.117 -0.492 . . . . 71.239999999999995 111.047 179.896 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -75.18 -22.76 57.82 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.241 -0.436 . . . . 74.420000000000002 111.092 179.984 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -74.3 -48.84 25.82 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.26 -0.427 . . . . 62.020000000000003 110.851 -179.993 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 1.3 mptp? -61.61 -53.7 52.82 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.201 -0.454 . . . . 74.439999999999998 110.897 179.87 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 48' ' ' ALA . . . . . 0.61 ' HA ' HD12 ' A' ' 51' ' ' LEU . . . -57.89 -35.58 71.2 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.28 -0.418 . . . . 64.400000000000006 111.089 179.845 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 2.6 tm-20 -71.5 -41.63 69.03 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.191 -0.459 . . . . 72.140000000000001 110.852 -179.902 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 34.8 tt0 -71.34 -27.65 63.52 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.229 -0.441 . . . . 72.430000000000007 110.856 -179.927 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 51' ' ' LEU . . . . . 0.61 HD12 ' HA ' ' A' ' 48' ' ' ALA . 9.9 mt -72.95 -48.79 33.77 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.177 -0.465 . . . . 63.420000000000002 110.926 -179.982 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 52' ' ' PHE . . . . . 0.456 ' HE2' ' HB1' ' A' ' 9' ' ' ALA . 46.5 t80 -62.31 -23.89 67.0 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.265 -0.425 . . . . 64.439999999999998 110.878 179.974 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -72.83 -58.71 3.14 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.143 -0.48 . . . . 64.219999999999999 110.926 179.881 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 54' ' ' LEU . . . . . . . . . . . . . 19.3 tp -67.47 -38.15 83.98 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.212 -0.449 . . . . 75.109999999999999 110.947 179.936 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -67.32 -33.84 76.1 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.171 -0.468 . . . . 55.229999999999997 111.124 179.799 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 33.5 tt0 -52.75 -29.12 25.4 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.245 -0.434 . . . . 72.310000000000002 110.927 -179.953 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 10.9 tt0 -61.94 -52.93 62.07 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.116 -0.493 . . . . 65.219999999999999 110.924 -179.979 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 58' ' ' ARG . . . . . 0.515 HH21 HD22 ' B' ' 37' ' ' LEU . 0.0 OUTLIER -77.78 -28.89 50.63 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.146 -0.479 . . . . 74.450000000000003 110.81 -179.895 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 59' ' ' LEU . . . . . 0.883 HD23 ' HB2' ' A' ' 9' ' ' ALA . 1.9 mp -70.64 -62.1 1.52 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.246 -0.434 . . . . 74.549999999999997 110.91 -179.901 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -122.77 -74.92 0.6 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.15 -0.477 . . . . 62.140000000000001 110.896 179.82 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -179.28 122.89 0.08 Allowed 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.194 -0.457 . . . . 75.519999999999996 110.964 179.878 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER . . . . . 0 C--N 1.328 -0.347 0 CA-C-N 116.264 -0.426 . . . . 71.310000000000002 110.934 179.941 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 1' ' ' MET . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 C--O 1.231 0.114 0 CA-C-O 120.815 0.34 . . . . 61.25 110.862 . . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 2' ' ' LYS . . . . . 0.532 ' HB2' HD11 ' B' ' 59' ' ' LEU . 0.3 OUTLIER -96.86 -169.97 1.97 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.169 -0.469 . . . . 71.150000000000006 110.934 179.898 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' B' B ' 3' ' ' LYS . . . . . 0.604 ' O ' HD22 ' B' ' 4' ' ' LEU . 12.2 mttt -150.92 24.66 0.75 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.262 -0.426 . . . . 75.140000000000001 110.853 179.893 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 4' ' ' LEU . . . . . 0.604 HD22 ' O ' ' B' ' 3' ' ' LYS . 0.3 OUTLIER -146.2 -66.34 0.29 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.245 -0.434 . . . . 63.140000000000001 110.927 179.858 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' B' B ' 5' ' ' ARG . . . . . . . . . . . . . 16.4 mtt180 -72.01 -40.68 68.33 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.185 -0.461 . . . . 74.450000000000003 110.895 179.908 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 6' ' ' GLU . . . . . 0.546 ' CA ' HD13 ' B' ' 59' ' ' LEU . 0.1 OUTLIER -54.48 -26.79 33.42 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.193 -0.458 . . . . 72.340000000000003 110.911 -179.969 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' B' B ' 7' ' ' GLU . . . . . . . . . . . . . 1.4 mm-40 -53.27 -39.62 64.04 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.083 -0.508 . . . . 72.129999999999995 110.902 -179.906 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 8' ' ' ALA . . . . . . . . . . . . . . . -63.68 -26.68 68.77 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.177 -0.465 . . . . 51.329999999999998 111.106 179.92 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 9' ' ' ALA . . . . . 0.507 ' HB2' ' HB1' ' B' ' 55' ' ' ALA . . . -69.26 -42.02 76.15 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.274 -0.421 . . . . 34.229999999999997 111.157 179.91 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 10' ' ' LYS . . . . . . . . . . . . . 9.8 mtpt -66.74 -28.01 68.07 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.166 -0.47 . . . . 71.450000000000003 110.889 179.937 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 11' ' ' LEU . . . . . . . . . . . . . 62.1 mt -51.81 -46.24 64.21 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.21 -0.45 . . . . 71.140000000000001 110.963 179.899 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 12' ' ' PHE . . . . . . . . . . . . . 24.0 m-85 -74.1 -26.51 60.4 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.119 -0.491 . . . . 65.519999999999996 110.884 179.963 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 13' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -59.08 -34.76 72.35 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.107 -0.497 . . . . 64.420000000000002 110.87 -179.943 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 14' ' ' GLU . . . . . . . . . . . . . 7.1 mt-10 -74.98 -34.38 61.98 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.177 -0.465 . . . . 71.019999999999996 110.914 -179.905 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 15' ' ' TRP . . . . . 0.451 ' HZ2' ' HB3' ' A' ' 22' ' ' ALA . 20.4 m0 -57.05 -52.22 66.16 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.089 -0.505 . . . . 73.319999999999993 110.935 -179.971 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 16' ' ' LYS . . . . . 0.613 ' HE2' ' HB1' ' B' ' 45' ' ' ALA . 6.7 tttt -68.26 -25.05 64.98 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.271 -0.422 . . . . 71.209999999999994 110.856 179.931 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 17' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -73.06 -55.62 6.25 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.244 -0.434 . . . . 64.200000000000003 110.917 179.791 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 18' ' ' LEU . . . . . 1.029 HD13 HD13 ' A' ' 18' ' ' LEU . 2.0 mt -55.99 -25.59 44.75 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.236 -0.438 . . . . 65.219999999999999 110.942 179.968 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 19' ' ' ALA . . . . . . . . . . . . . . . -73.19 -29.14 62.61 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.127 -0.488 . . . . 70.030000000000001 111.119 179.737 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 20' ' ' GLU . . . . . . . . . . . . . 1.9 mm-40 -72.99 -49.37 29.41 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.221 -0.445 . . . . 65.219999999999999 110.952 -179.958 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 21' ' ' GLU . . . . . . . . . . . . . 6.7 pt-20 -58.43 -36.6 73.86 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.2 -0.455 . . . . 74.400000000000006 110.88 -179.981 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 22' ' ' ALA . . . . . 0.511 ' HB3' ' HZ2' ' A' ' 15' ' ' TRP . . . -75.5 -33.28 60.75 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.124 -0.489 . . . . 62.539999999999999 111.09 179.937 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 23' ' ' ALA . . . . . . . . . . . . . . . -70.8 -51.95 23.63 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.213 -0.448 . . . . 65.140000000000001 111.057 179.982 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 24' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -60.89 -37.69 83.05 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.274 -0.421 . . . . 74.450000000000003 110.894 179.994 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 25' ' ' LEU . . . . . 0.421 ' HA ' HD23 ' B' ' 25' ' ' LEU . 14.7 mt -76.78 -38.55 53.84 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.223 -0.444 . . . . 61.030000000000001 110.938 179.92 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 26' ' ' LEU . . . . . . . . . . . . . 5.3 mt -50.14 -43.47 52.0 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.202 -0.454 . . . . 63.240000000000002 110.88 179.899 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 27' ' ' GLU . . . . . . . . . . . . . 2.1 mt-10 -95.23 -10.74 29.49 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.212 -0.449 . . . . 71.439999999999998 110.846 179.926 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 28' ' ' GLY . . . . . . . . . . . . . . . 62.15 18.21 57.26 Favored Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.786 -0.721 . . . . 71.439999999999998 112.494 -179.931 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 29' ' ' GLY . . . . . . . . . . . . . . . 89.02 18.59 53.7 Favored Glycine 0 N--CA 1.452 -0.274 0 C-N-CA 120.748 -0.739 . . . . 32.539999999999999 112.475 -179.907 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 30' ' ' GLY . . . . . . . . . . . . . . . 135.39 85.24 0.2 Allowed Glycine 0 N--CA 1.451 -0.338 0 C-N-CA 120.755 -0.736 . . . . 43.030000000000001 112.502 -179.914 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 31' ' ' GLY . . . . . . . . . . . . . . . -155.15 152.41 23.93 Favored Glycine 0 N--CA 1.451 -0.328 0 C-N-CA 120.765 -0.731 . . . . 74.040000000000006 112.477 -179.896 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 32' ' ' GLY . . . . . . . . . . . . . . . 52.41 -136.5 35.63 Favored Glycine 0 N--CA 1.452 -0.239 0 C-N-CA 120.714 -0.755 . . . . 62.130000000000003 112.411 -179.979 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 33' ' ' GLY . . . . . . . . . . . . . . . 179.64 -105.35 0.19 Allowed Glycine 0 N--CA 1.451 -0.349 0 C-N-CA 120.751 -0.738 . . . . 50.219999999999999 112.513 -179.888 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 34' ' ' GLY . . . . . . . . . . . . . . . 93.82 -46.84 2.28 Favored Glycine 0 N--CA 1.451 -0.344 0 C-N-CA 120.698 -0.763 . . . . 45.420000000000002 112.562 -179.904 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 35' ' ' GLY . . . . . . . . . . . . . . . 85.04 -85.34 1.57 Allowed Glycine 0 N--CA 1.451 -0.336 0 C-N-CA 120.712 -0.756 . . . . 44.409999999999997 112.5 -179.953 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 36' ' ' GLU . . . . . . . . . . . . . 62.3 tt0 -68.61 -23.32 64.44 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.852 0.358 . . . . 71.329999999999998 110.848 -179.877 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 37' ' ' LEU . . . . . 0.515 HD22 HH21 ' A' ' 58' ' ' ARG . 18.2 tp -51.47 -54.62 25.1 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.201 -0.454 . . . . 63.140000000000001 110.908 -179.984 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 38' ' ' MET . . . . . . . . . . . . . 35.0 ttm -62.01 -38.98 90.71 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.19 -0.459 . . . . 73.340000000000003 110.87 179.863 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 39' ' ' LYS . . . . . . . . . . . . . 2.2 tttp -54.12 -34.57 60.62 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.199 -0.455 . . . . 73.019999999999996 110.889 179.937 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 40' ' ' LEU . . . . . . . . . . . . . 69.4 mt -73.82 -34.98 64.8 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.211 -0.45 . . . . 74.310000000000002 110.959 179.862 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 41' ' ' CYS . . . . . 0.41 ' SG ' HD22 ' A' ' 51' ' ' LEU . 21.0 m -74.9 -29.68 61.07 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 116.253 -0.431 . . . . 61.219999999999999 110.901 179.921 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 42' ' ' GLU . . . . . . . . . . . . . 2.7 mt-10 -62.18 -26.04 68.12 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.161 -0.472 . . . . 74.010000000000005 110.9 -179.899 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 43' ' ' GLU . . . . . . . . . . . . . 3.1 mm-40 -54.89 -34.99 63.62 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.157 -0.474 . . . . 64.109999999999999 110.875 -179.939 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 44' ' ' ALA . . . . . 0.404 ' HB2' ' CZ3' ' A' ' 15' ' ' TRP . . . -52.0 -41.49 62.24 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.17 -0.468 . . . . 73.230000000000004 111.089 -179.978 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 45' ' ' ALA . . . . . 0.613 ' HB1' ' HE2' ' B' ' 16' ' ' LYS . . . -75.19 -22.93 57.68 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.258 -0.428 . . . . 73.450000000000003 111.109 179.909 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 46' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -73.85 -48.96 27.38 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.21 -0.45 . . . . 74.319999999999993 110.943 179.982 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 47' ' ' LYS . . . . . . . . . . . . . 1.4 mptp? -63.79 -52.66 59.26 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.235 -0.439 . . . . 74.230000000000004 110.922 179.77 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 48' ' ' ALA . . . . . 0.727 ' HA ' HD12 ' B' ' 51' ' ' LEU . . . -56.04 -34.13 65.6 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.201 -0.454 . . . . 63.450000000000003 111.112 179.835 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 49' ' ' GLU . . . . . . . . . . . . . 2.6 tm-20 -70.58 -42.26 71.3 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.172 -0.467 . . . . 72.219999999999999 110.851 -179.867 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 50' ' ' GLU . . . . . . . . . . . . . 35.1 tt0 -72.65 -26.74 61.76 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.117 -0.492 . . . . 72.430000000000007 110.918 -179.942 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 51' ' ' LEU . . . . . 0.727 HD12 ' HA ' ' B' ' 48' ' ' ALA . 9.8 mt -72.12 -43.86 64.08 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.149 -0.478 . . . . 73.140000000000001 110.922 179.984 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 52' ' ' PHE . . . . . . . . . . . . . 44.8 t80 -57.06 -24.02 50.9 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.254 -0.43 . . . . 71.340000000000003 110.866 179.942 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 53' ' ' LYS . . . . . 0.659 ' HD3' HD21 ' B' ' 62' ' ' LEU . 0.1 OUTLIER -72.12 -46.63 55.87 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.236 -0.438 . . . . 75.319999999999993 110.902 179.956 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' B' B ' 54' ' ' LEU . . . . . 0.483 HD12 ' CD1' ' B' ' 62' ' ' LEU . 18.7 tp -55.23 -25.35 32.76 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.242 -0.436 . . . . 73.25 110.898 179.88 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 55' ' ' ALA . . . . . 0.507 ' HB1' ' HB2' ' B' ' 9' ' ' ALA . . . -54.18 -34.49 60.64 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.268 -0.424 . . . . 71.209999999999994 111.115 179.767 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 56' ' ' GLU . . . . . . . . . . . . . 34.0 tt0 -55.27 -28.18 51.6 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.166 -0.47 . . . . 70.319999999999993 110.844 -179.861 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 57' ' ' GLU . . . . . . . . . . . . . 11.1 tt0 -64.77 -47.05 79.57 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.173 -0.467 . . . . 61.43 110.876 -179.928 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 58' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -77.54 -31.47 53.32 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.092 -0.503 . . . . 72.439999999999998 110.846 -179.86 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 59' ' ' LEU . . . . . 0.546 HD13 ' CA ' ' B' ' 6' ' ' GLU . 19.8 tp -73.26 -62.53 1.44 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.179 -0.464 . . . . 72.409999999999997 110.874 -179.934 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 60' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -120.95 -77.29 0.58 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.172 -0.467 . . . . 63.25 110.905 179.847 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 61' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -179.51 123.26 0.08 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.231 -0.441 . . . . 73.209999999999994 110.919 179.872 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 62' ' ' LEU . . . . . 0.659 HD21 ' HD3' ' B' ' 53' ' ' LYS . 0.9 OUTLIER . . . . . 0 C--N 1.329 -0.293 0 CA-C-N 116.222 -0.444 . . . . 72.329999999999998 110.902 179.896 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.232 0.165 0 CA-C-O 120.881 0.372 . . . . 74.400000000000006 110.886 . . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 3' ' ' LYS . . . . . 0.681 ' C ' HD22 ' A' ' 4' ' ' LEU . 4.3 mtmp? -153.46 -55.58 0.11 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.215 -0.448 . . . . 64.140000000000001 110.93 179.879 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 4' ' ' LEU . . . . . 0.681 HD22 ' C ' ' A' ' 3' ' ' LYS . 3.1 mm? -133.71 12.87 4.06 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.266 -0.424 . . . . 70.439999999999998 110.957 179.845 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 2.6 mtp180 -72.34 -47.8 46.82 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.218 -0.447 . . . . 74.409999999999997 110.829 -179.958 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 12.5 pt-20 -53.84 -31.17 48.41 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.185 -0.461 . . . . 65.030000000000001 110.861 -179.927 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 12.1 mm-40 -53.76 -36.94 62.9 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.146 -0.479 . . . . 75.340000000000003 110.945 -179.946 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -65.97 -26.77 67.71 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.069 -0.514 . . . . 73.129999999999995 111.086 179.959 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 9' ' ' ALA . . . . . 0.696 ' HB1' ' CE2' ' A' ' 52' ' ' PHE . . . -74.15 -28.98 61.57 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.195 -0.457 . . . . 63.420000000000002 111.077 179.902 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -75.95 -32.78 59.68 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.284 -0.416 . . . . 74.019999999999996 110.885 179.998 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 11' ' ' LEU . . . . . 0.463 HD12 HD21 ' B' ' 26' ' ' LEU . 47.6 mt -51.64 -49.15 62.84 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.23 -0.441 . . . . 63.450000000000003 110.97 179.883 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 21.6 m-85 -74.27 -22.02 59.49 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.14 -0.482 . . . . 73.239999999999995 110.879 179.936 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 19.5 tt0 -59.5 -37.34 78.03 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.181 -0.463 . . . . 74.409999999999997 110.884 -179.969 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 9.4 mt-10 -75.0 -34.1 61.9 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.16 -0.473 . . . . 64.420000000000002 110.921 -179.921 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 15' ' ' TRP . . . . . . . . . . . . . 19.8 m0 -53.82 -51.77 62.48 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.139 -0.482 . . . . 61.210000000000001 110.926 179.975 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -71.84 -30.57 65.61 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.223 -0.444 . . . . 72.540000000000006 110.891 179.971 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 1.8 tttm -64.72 -51.21 63.59 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.219 -0.446 . . . . 72.519999999999996 110.961 179.852 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 18' ' ' LEU . . . . . 1.104 HD13 HD13 ' B' ' 18' ' ' LEU . 3.2 mt -56.16 -24.98 44.73 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.187 -0.46 . . . . 72.219999999999999 110.951 179.828 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -73.35 -29.42 62.65 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.182 -0.463 . . . . 53.420000000000002 111.112 179.802 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 32.7 mt-10 -73.2 -50.02 24.76 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.176 -0.465 . . . . 72.049999999999997 110.881 -179.92 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 11.2 pt-20 -56.56 -46.51 80.68 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.163 -0.472 . . . . 74.140000000000001 110.847 -179.938 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -64.19 -33.0 74.8 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.158 -0.474 . . . . 62.119999999999997 111.136 179.956 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -70.85 -49.75 42.8 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.207 -0.452 . . . . 71.120000000000005 111.067 179.946 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 9.4 ptpt -64.51 -36.66 84.91 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.225 -0.443 . . . . 75.230000000000004 110.868 179.973 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 11.3 mt -76.76 -38.62 53.81 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.221 -0.445 . . . . 72.540000000000006 110.903 179.991 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 26' ' ' LEU . . . . . 0.456 HD21 HD12 ' B' ' 11' ' ' LEU . 2.8 mt -50.23 -46.24 54.6 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.252 -0.431 . . . . 54.200000000000003 110.961 179.786 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 24.0 tp10 -88.93 -12.0 42.88 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.19 -0.459 . . . . 73.340000000000003 110.835 179.946 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . 66.12 20.9 69.48 Favored Glycine 0 N--CA 1.453 -0.197 0 C-N-CA 120.669 -0.777 . . . . 70.010000000000005 112.477 -179.961 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . -136.14 -54.66 0.06 OUTLIER Glycine 0 N--CA 1.45 -0.37 0 C-N-CA 120.795 -0.717 . . . . 75.519999999999996 112.509 -179.909 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . 134.42 98.33 0.6 Allowed Glycine 0 N--CA 1.45 -0.382 0 C-N-CA 120.828 -0.701 . . . . 35.039999999999999 112.512 -179.93 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . 128.85 -24.63 4.81 Favored Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 120.718 -0.753 . . . . 63.219999999999999 112.536 -179.807 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . 98.94 -179.0 31.14 Favored Glycine 0 N--CA 1.451 -0.31 0 C-N-CA 120.734 -0.746 . . . . 73.510000000000005 112.481 -179.856 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -69.58 -23.63 76.56 Favored Glycine 0 N--CA 1.451 -0.355 0 C-N-CA 120.804 -0.712 . . . . 51.009999999999998 112.428 -179.891 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 72.95 77.97 0.56 Allowed Glycine 0 N--CA 1.45 -0.385 0 C-N-CA 120.73 -0.748 . . . . 50.340000000000003 112.508 -179.865 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . -179.99 -155.87 16.51 Favored Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.75 -0.738 . . . . 64.409999999999997 112.516 -179.87 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 7.8 mt-10 -66.87 -53.11 35.58 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.905 0.384 . . . . 72.230000000000004 110.929 -179.897 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -52.48 -54.62 30.04 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.144 -0.48 . . . . 75.299999999999997 110.906 -179.995 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 38' ' ' MET . . . . . . . . . . . . . 0.8 OUTLIER -59.19 -31.58 69.15 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.186 -0.461 . . . . 62.329999999999998 110.878 179.846 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -54.04 -29.66 44.72 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.192 -0.458 . . . . 75.120000000000005 110.908 -179.981 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 40' ' ' LEU . . . . . 0.799 ' HB3' HD22 ' B' ' 51' ' ' LEU . 43.8 mt -71.44 -33.76 69.66 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.149 -0.478 . . . . 74.049999999999997 110.95 179.927 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 41' ' ' CYS . . . . . . . . . . . . . 25.9 m -74.82 -31.52 61.71 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.13 -0.486 . . . . 53.310000000000002 110.879 179.91 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 37.2 tt0 -71.28 -26.13 62.75 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.22 -0.445 . . . . 62.520000000000003 110.881 -179.87 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 3.3 mm-40 -55.08 -31.23 61.01 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.142 -0.481 . . . . 70.420000000000002 110.933 -179.946 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 44' ' ' ALA . . . . . 0.515 ' HB2' ' CZ3' ' B' ' 15' ' ' TRP . . . -51.81 -42.52 62.55 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.125 -0.489 . . . . 74.450000000000003 111.107 179.912 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -75.19 -23.02 57.61 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.214 -0.448 . . . . 54.140000000000001 111.095 179.931 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -72.82 -47.9 42.43 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.234 -0.439 . . . . 75.430000000000007 110.874 179.962 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -74.13 -48.37 29.86 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.247 -0.433 . . . . 45.039999999999999 110.855 179.955 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -52.23 -49.33 64.21 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.251 -0.431 . . . . 53.530000000000001 111.037 179.847 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 53.1 tp10 -54.68 -32.93 60.1 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.208 -0.451 . . . . 53.310000000000002 110.866 -179.929 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -70.31 -26.5 63.81 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.13 -0.486 . . . . 71.340000000000003 110.879 -179.909 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 12.2 mt -71.58 -46.89 58.05 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.187 -0.46 . . . . 74.120000000000005 110.922 179.972 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 52' ' ' PHE . . . . . 0.696 ' CE2' ' HB1' ' A' ' 9' ' ' ALA . 52.0 t80 -57.0 -23.97 50.16 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.17 -0.468 . . . . 72.420000000000002 110.84 179.964 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -51.92 -52.26 51.28 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.254 -0.43 . . . . 64.230000000000004 110.907 -179.99 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 54' ' ' LEU . . . . . 0.609 HD12 HH22 ' A' ' 58' ' ' ARG . 4.3 mm? -60.52 -36.73 79.08 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.187 -0.461 . . . . 73.120000000000005 110.892 179.926 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 55' ' ' ALA . . . . . 0.614 ' HB1' ' HB2' ' A' ' 9' ' ' ALA . . . -56.07 -27.73 54.72 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.222 -0.445 . . . . 60.119999999999997 111.086 179.811 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 51.7 tt0 -77.25 -24.46 51.13 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.232 -0.44 . . . . 54.420000000000002 110.83 -179.895 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 11.7 tp10 -68.87 -48.78 62.55 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.191 -0.459 . . . . 74.540000000000006 110.913 -179.966 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 58' ' ' ARG . . . . . 0.609 HH22 HD12 ' A' ' 54' ' ' LEU . 0.0 OUTLIER -78.0 -30.39 50.05 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.166 -0.47 . . . . 72.200000000000003 110.938 -179.971 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 59' ' ' LEU . . . . . . . . . . . . . 15.9 tp -73.65 -62.39 1.5 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.109 -0.496 . . . . 74.0 110.945 -179.976 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -123.13 -175.55 3.21 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.133 -0.485 . . . . 72.329999999999998 110.876 179.822 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 5.3 tttt -83.49 78.55 9.64 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.187 -0.461 . . . . 73.430000000000007 110.953 179.835 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 5.1 tt . . . . . 0 C--N 1.329 -0.319 0 CA-C-N 116.199 -0.455 . . . . 70.200000000000003 110.899 179.938 . . . . . . . . 0 0 . 1 . 006 nuclear nobuild core ' B' B ' 1' ' ' MET . . . . . . . . . . . . . 2.7 mmt . . . . . 0 C--O 1.232 0.176 0 CA-C-O 120.815 0.34 . . . . 70.430000000000007 110.847 . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild core ' B' B ' 2' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -100.53 143.24 30.94 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.251 -0.431 . . . . 75.329999999999998 110.904 179.946 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 3' ' ' LYS . . . . . 0.697 ' C ' HD22 ' B' ' 4' ' ' LEU . 4.3 mtmp? -152.46 -56.41 0.13 Allowed 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.253 -0.431 . . . . 61.340000000000003 110.871 179.907 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 4' ' ' LEU . . . . . 0.697 HD22 ' C ' ' B' ' 3' ' ' LYS . 3.1 mm? -133.85 12.3 4.0 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.249 -0.432 . . . . 74.340000000000003 110.898 179.972 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 5' ' ' ARG . . . . . . . . . . . . . 2.3 mtp180 -72.32 -48.04 45.19 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.202 -0.454 . . . . 62.25 110.868 179.975 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 6' ' ' GLU . . . . . . . . . . . . . 14.4 pt-20 -52.88 -28.95 25.46 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.235 -0.439 . . . . 75.140000000000001 110.943 -179.964 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 7' ' ' GLU . . . . . . . . . . . . . 12.1 mm-40 -54.24 -32.83 56.98 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.113 -0.494 . . . . 73.439999999999998 110.914 -179.957 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 8' ' ' ALA . . . . . . . . . . . . . . . -70.35 -26.72 63.87 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.139 -0.482 . . . . 73.239999999999995 111.14 179.881 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 9' ' ' ALA . . . . . 0.796 ' HB2' HD23 ' B' ' 59' ' ' LEU . . . -69.2 -31.02 69.33 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.198 -0.455 . . . . 72.299999999999997 111.121 179.916 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 10' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -75.48 -33.9 60.85 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.204 -0.453 . . . . 73.230000000000004 110.843 -179.974 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 11' ' ' LEU . . . . . 0.456 HD12 HD21 ' A' ' 26' ' ' LEU . 45.4 mt -52.05 -46.78 65.21 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.27 -0.423 . . . . 72.010000000000005 110.863 179.92 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 12' ' ' PHE . . . . . . . . . . . . . 20.6 m-85 -72.9 -21.95 60.82 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.213 -0.449 . . . . 64.299999999999997 110.896 179.95 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 13' ' ' GLU . . . . . . . . . . . . . 19.4 tt0 -58.97 -36.75 75.38 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.111 -0.495 . . . . 62.329999999999998 110.877 -179.906 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 14' ' ' GLU . . . . . . . . . . . . . 9.1 mt-10 -75.1 -34.24 61.7 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.169 -0.469 . . . . 75.310000000000002 110.914 -179.956 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 15' ' ' TRP . . . . . 0.515 ' CZ3' ' HB2' ' A' ' 44' ' ' ALA . 22.6 m0 -54.01 -50.44 66.62 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.115 -0.493 . . . . 73.349999999999994 110.928 -179.942 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 16' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -71.43 -30.9 66.6 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.216 -0.447 . . . . 72.049999999999997 110.887 179.946 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 17' ' ' LYS . . . . . . . . . . . . . 1.8 tttm -65.5 -50.92 63.51 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.218 -0.446 . . . . 73.109999999999999 110.886 179.883 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 18' ' ' LEU . . . . . 1.104 HD13 HD13 ' A' ' 18' ' ' LEU . 3.1 mt -56.07 -24.99 43.34 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.244 -0.435 . . . . 73.430000000000007 110.919 179.884 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 19' ' ' ALA . . . . . . . . . . . . . . . -73.46 -29.42 62.53 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.174 -0.467 . . . . 74.310000000000002 111.146 179.763 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 20' ' ' GLU . . . . . . . . . . . . . 32.5 mt-10 -73.2 -49.93 25.28 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.184 -0.462 . . . . 72.209999999999994 110.871 -179.907 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 21' ' ' GLU . . . . . . . . . . . . . 11.2 pt-20 -56.67 -46.3 81.2 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.18 -0.464 . . . . 71.150000000000006 110.889 -179.903 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 22' ' ' ALA . . . . . . . . . . . . . . . -64.35 -33.02 74.89 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.223 -0.444 . . . . 54.140000000000001 111.077 179.923 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 23' ' ' ALA . . . . . . . . . . . . . . . -70.91 -49.55 44.55 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.18 -0.464 . . . . 61.130000000000003 111.082 179.964 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 24' ' ' LYS . . . . . . . . . . . . . 9.3 ptpt -64.61 -36.7 85.09 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.236 -0.438 . . . . 64.349999999999994 110.911 179.97 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 25' ' ' LEU . . . . . . . . . . . . . 11.4 mt -76.66 -38.67 54.17 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.193 -0.458 . . . . 73.209999999999994 110.894 179.91 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 26' ' ' LEU . . . . . 0.463 HD21 HD12 ' A' ' 11' ' ' LEU . 2.8 mt -50.35 -46.02 55.52 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.25 -0.432 . . . . 72.040000000000006 110.93 179.928 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 27' ' ' GLU . . . . . . . . . . . . . 24.1 tp10 -89.18 -12.11 41.86 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.189 -0.46 . . . . 73.239999999999995 110.866 179.926 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 28' ' ' GLY . . . . . . . . . . . . . . . 66.15 21.92 70.37 Favored Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.784 -0.722 . . . . 62.340000000000003 112.408 179.973 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 29' ' ' GLY . . . . . . . . . . . . . . . -135.76 -54.14 0.06 OUTLIER Glycine 0 N--CA 1.451 -0.33 0 C-N-CA 120.722 -0.752 . . . . 33.340000000000003 112.542 -179.963 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 30' ' ' GLY . . . . . . . . . . . . . . . 134.99 98.21 0.57 Allowed Glycine 0 N--CA 1.451 -0.309 0 C-N-CA 120.706 -0.759 . . . . 61.210000000000001 112.488 -179.948 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 31' ' ' GLY . . . . . . . . . . . . . . . 128.54 -24.01 5.0 Favored Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.758 -0.734 . . . . 42.130000000000003 112.472 -179.915 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 32' ' ' GLY . . . . . . . . . . . . . . . 99.42 -179.57 30.74 Favored Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.766 -0.731 . . . . 73.409999999999997 112.422 -179.964 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 33' ' ' GLY . . . . . . . . . . . . . . . -69.67 -23.17 76.85 Favored Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 120.661 -0.78 . . . . 53.109999999999999 112.49 -179.921 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 34' ' ' GLY . . . . . . . . . . . . . . . 72.63 77.46 0.57 Allowed Glycine 0 N--CA 1.451 -0.35 0 C-N-CA 120.787 -0.721 . . . . 70.129999999999995 112.466 -179.92 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 35' ' ' GLY . . . . . . . . . . . . . . . 179.6 -154.51 13.85 Favored Glycine 0 N--CA 1.452 -0.299 0 C-N-CA 120.668 -0.777 . . . . 53.509999999999998 112.471 -179.908 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 36' ' ' GLU . . . . . . . . . . . . . 7.5 mt-10 -66.14 -51.66 55.77 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.875 0.369 . . . . 74.329999999999998 110.849 -179.824 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 37' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -51.82 -55.2 21.33 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.113 -0.494 . . . . 54.149999999999999 110.906 -179.931 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 38' ' ' MET . . . . . . . . . . . . . 0.8 OUTLIER -59.75 -32.1 70.26 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.147 -0.479 . . . . 72.099999999999994 110.867 179.818 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 39' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -54.61 -29.44 51.78 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.194 -0.457 . . . . 72.430000000000007 110.895 -179.988 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 40' ' ' LEU . . . . . . . . . . . . . 45.8 mt -70.66 -34.17 71.74 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.234 -0.439 . . . . 73.349999999999994 110.904 179.865 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 41' ' ' CYS . . . . . . . . . . . . . 26.1 m -75.07 -33.54 61.69 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.205 -0.452 . . . . 51.149999999999999 110.909 179.965 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 42' ' ' GLU . . . . . . . . . . . . . 37.5 tt0 -73.05 -25.92 61.1 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 116.113 -0.494 . . . . 72.530000000000001 110.858 -179.878 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 43' ' ' GLU . . . . . . . . . . . . . 3.3 mm-40 -55.04 -31.65 61.27 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.219 -0.446 . . . . 75.510000000000005 110.91 -179.908 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 44' ' ' ALA . . . . . . . . . . . . . . . -51.89 -42.72 62.93 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.148 -0.478 . . . . 52.310000000000002 111.124 179.895 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 45' ' ' ALA . . . . . . . . . . . . . . . -75.1 -22.9 57.94 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.247 -0.433 . . . . 41.009999999999998 111.128 179.911 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 46' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -71.55 -47.49 54.71 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.212 -0.449 . . . . 64.510000000000005 110.858 -179.995 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 47' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -73.49 -50.55 20.94 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.268 -0.424 . . . . 72.219999999999999 110.95 179.851 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 48' ' ' ALA . . . . . . . . . . . . . . . -53.09 -48.93 67.38 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.223 -0.444 . . . . 71.530000000000001 111.052 179.822 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 49' ' ' GLU . . . . . . . . . . . . . 53.2 tp10 -54.41 -32.37 57.12 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.241 -0.436 . . . . 73.349999999999994 110.893 -179.89 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 50' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -69.88 -28.96 66.07 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.112 -0.494 . . . . 72.299999999999997 110.855 -179.93 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 51' ' ' LEU . . . . . 0.799 HD22 ' HB3' ' A' ' 40' ' ' LEU . 11.8 mt -73.08 -50.95 19.99 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.131 -0.486 . . . . 71.010000000000005 110.916 -179.931 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 52' ' ' PHE . . . . . 0.585 ' HE2' ' HB1' ' B' ' 9' ' ' ALA . 53.7 t80 -60.36 -23.91 64.66 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.192 -0.458 . . . . 63.109999999999999 110.877 179.92 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 53' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -54.28 -59.22 4.96 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.155 -0.475 . . . . 63.240000000000002 110.854 -179.971 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 54' ' ' LEU . . . . . 0.563 HD12 HH22 ' B' ' 58' ' ' ARG . 4.5 mm? -75.05 -42.51 56.9 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.219 -0.446 . . . . 60.140000000000001 110.887 179.999 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 55' ' ' ALA . . . . . 0.408 ' HA ' ' HD2' ' B' ' 58' ' ' ARG . . . -55.69 -29.28 59.12 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.292 -0.413 . . . . 74.049999999999997 111.076 179.771 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 56' ' ' GLU . . . . . . . . . . . . . 52.4 tt0 -77.24 -24.45 51.18 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.229 -0.441 . . . . 70.019999999999996 110.874 -179.931 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 57' ' ' GLU . . . . . . . . . . . . . 11.4 tp10 -64.63 -48.45 74.8 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.164 -0.471 . . . . 52.229999999999997 110.893 -179.96 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 58' ' ' ARG . . . . . 0.563 HH22 HD12 ' B' ' 54' ' ' LEU . 0.0 OUTLIER -77.79 -31.11 51.67 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.195 -0.457 . . . . 73.129999999999995 110.891 -179.929 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' B' B ' 59' ' ' LEU . . . . . 0.796 HD23 ' HB2' ' B' ' 9' ' ' ALA . 3.8 mp -71.77 -59.05 2.95 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.14 -0.482 . . . . 74.439999999999998 110.873 -179.993 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 60' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -127.73 -178.98 4.7 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.267 -0.424 . . . . 73.349999999999994 110.934 179.833 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 61' ' ' LYS . . . . . . . . . . . . . 5.4 tttt -85.85 79.28 9.31 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.26 -0.427 . . . . 70.040000000000006 110.941 179.865 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 62' ' ' LEU . . . . . . . . . . . . . 4.8 tt . . . . . 0 C--N 1.328 -0.331 0 CA-C-N 116.185 -0.461 . . . . 75.230000000000004 110.877 179.981 . . . . . . . . 0 0 . 1 . 007 nuclear nobuild core ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.231 0.101 0 CA-C-O 120.853 0.359 . . . . 61.299999999999997 110.898 . . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 15.0 ttpt -141.51 -42.54 0.36 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.268 -0.424 . . . . 73.349999999999994 110.945 179.844 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 3.8 mm? -70.99 -33.83 70.79 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.222 -0.444 . . . . 74.140000000000001 110.966 179.883 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 5.4 mtt-85 -72.02 -40.54 68.39 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 116.18 -0.464 . . . . 65.540000000000006 110.903 179.94 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 6' ' ' GLU . . . . . 0.816 ' HA ' HD22 ' A' ' 59' ' ' LEU . 4.9 tt0 -52.99 -27.59 19.9 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.164 -0.471 . . . . 72.129999999999995 110.861 -179.969 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 67.0 mt-10 -55.19 -28.39 52.63 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.184 -0.462 . . . . 71.0 110.878 -179.909 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 8' ' ' ALA . . . . . 0.518 ' HA ' HD21 ' A' ' 11' ' ' LEU . . . -76.12 -26.53 56.46 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.199 -0.455 . . . . 74.239999999999995 111.085 179.918 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 9' ' ' ALA . . . . . 0.834 ' HB2' HD13 ' A' ' 59' ' ' LEU . . . -75.97 -26.95 57.28 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.265 -0.425 . . . . 55.049999999999997 111.106 179.888 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 19.3 mtpt -68.73 -54.57 15.29 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.217 -0.447 . . . . 54.210000000000001 110.871 -179.987 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 11' ' ' LEU . . . . . 0.562 HD12 ' N ' ' A' ' 12' ' ' PHE . 1.6 pp -57.31 -44.75 84.41 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.235 -0.438 . . . . 74.25 110.899 179.94 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 12' ' ' PHE . . . . . 0.562 ' N ' HD12 ' A' ' 11' ' ' LEU . 9.1 m-85 -65.57 -20.19 66.23 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.251 -0.432 . . . . 73.120000000000005 110.915 179.922 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -65.16 -38.99 92.31 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.141 -0.481 . . . . 74.099999999999994 110.909 -179.93 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 4.3 mt-10 -75.47 -28.83 59.41 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.178 -0.465 . . . . 72.230000000000004 110.823 -179.885 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 15' ' ' TRP . . . . . . . . . . . . . 1.0 OUTLIER -63.0 -47.3 83.7 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.136 -0.484 . . . . 71.109999999999999 110.93 -179.975 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 16' ' ' LYS . . . . . 0.416 ' HB2' ' HB1' ' A' ' 48' ' ' ALA . 2.8 ttpt -77.24 -25.13 51.24 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.246 -0.434 . . . . 54.119999999999997 110.931 179.888 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 1.7 mmmt -73.13 -53.93 9.78 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.189 -0.46 . . . . 75.109999999999999 110.892 179.852 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 77.2 mt -54.77 -32.75 60.42 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.154 -0.475 . . . . 61.130000000000003 110.932 179.926 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 19' ' ' ALA . . . . . 0.431 ' O ' ' HB2' ' A' ' 23' ' ' ALA . . . -68.56 -26.34 65.36 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.192 -0.458 . . . . 54.020000000000003 111.072 179.804 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 1.7 mt-10 -73.3 -49.28 28.4 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.255 -0.429 . . . . 63.43 110.871 -179.889 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 3.3 mm-40 -73.2 -50.14 24.14 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.215 -0.448 . . . . 74.219999999999999 110.889 -179.973 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -56.64 -22.6 35.4 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.146 -0.479 . . . . 73.400000000000006 111.136 179.936 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 23' ' ' ALA . . . . . 0.431 ' HB2' ' O ' ' A' ' 19' ' ' ALA . . . -76.06 -54.75 6.37 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.175 -0.466 . . . . 54.350000000000001 111.083 179.949 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -66.27 -30.14 70.51 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.269 -0.423 . . . . 64.329999999999998 110.912 179.933 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 25' ' ' LEU . . . . . 0.42 HD23 ' HA ' ' A' ' 25' ' ' LEU . 5.4 mt -77.64 -42.21 35.63 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.245 -0.434 . . . . 74.319999999999993 110.907 179.894 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 26' ' ' LEU . . . . . 0.446 HD11 ' CZ ' ' B' ' 12' ' ' PHE . 4.8 mt -50.5 -49.76 54.67 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.153 -0.476 . . . . 74.150000000000006 110.88 179.949 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 18.4 mt-10 -90.69 12.15 19.99 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.188 -0.46 . . . . 62.530000000000001 110.913 179.934 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . -59.58 -14.32 27.9 Favored Glycine 0 N--CA 1.45 -0.375 0 C-N-CA 120.686 -0.769 . . . . 55.119999999999997 112.545 -179.992 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . 136.1 47.35 0.08 OUTLIER Glycine 0 N--CA 1.451 -0.357 0 C-N-CA 120.697 -0.763 . . . . 54.240000000000002 112.471 -179.909 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . 152.13 86.25 0.05 OUTLIER Glycine 0 N--CA 1.451 -0.337 0 C-N-CA 120.708 -0.758 . . . . 53.149999999999999 112.441 -179.936 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . 145.13 40.55 0.05 OUTLIER Glycine 0 N--CA 1.452 -0.279 0 C-N-CA 120.724 -0.751 . . . . 71.420000000000002 112.458 -179.954 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . -161.91 174.2 38.35 Favored Glycine 0 N--CA 1.451 -0.342 0 C-N-CA 120.772 -0.728 . . . . 54.100000000000001 112.487 -179.953 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -161.14 50.38 0.35 Allowed Glycine 0 N--CA 1.451 -0.323 0 C-N-CA 120.733 -0.746 . . . . 55.439999999999998 112.558 -179.924 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 132.19 -135.16 7.99 Favored Glycine 0 N--CA 1.451 -0.34 0 C-N-CA 120.754 -0.736 . . . . 44.039999999999999 112.496 -179.89 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . -130.13 -63.82 0.1 Allowed Glycine 0 N--CA 1.451 -0.34 0 C-N-CA 120.7 -0.762 . . . . 60.140000000000001 112.481 -179.852 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 23.6 tt0 -52.0 -35.04 45.35 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-O 120.915 0.388 . . . . 62.399999999999999 110.939 -179.919 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 37' ' ' LEU . . . . . 0.523 HD21 HH22 ' B' ' 58' ' ' ARG . 7.1 tp -57.0 -47.67 80.3 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.142 -0.481 . . . . 64.319999999999993 110.902 179.978 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 38' ' ' MET . . . . . . . . . . . . . 0.1 OUTLIER -70.54 -27.22 63.99 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.207 -0.451 . . . . 64.329999999999998 110.924 179.852 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -53.81 -27.87 31.87 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.2 -0.455 . . . . 60.240000000000002 110.922 179.898 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 40' ' ' LEU . . . . . 0.723 HD13 ' CB ' ' B' ' 51' ' ' LEU . 2.1 mt -54.89 -61.0 2.6 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.202 -0.454 . . . . 71.230000000000004 110.919 179.941 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 41' ' ' CYS . . . . . . . . . . . . . 20.2 p -68.01 -27.01 66.19 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.218 -0.446 . . . . 73.439999999999998 110.857 179.948 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 29.4 tt0 -58.51 -25.25 62.2 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.17 -0.468 . . . . 75.329999999999998 110.882 -179.856 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 1.4 mm-40 -54.68 -27.7 42.1 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.104 -0.498 . . . . 63.299999999999997 110.903 -179.929 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -51.82 -46.31 64.24 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.187 -0.46 . . . . 73.400000000000006 111.123 179.932 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -72.82 -22.82 60.75 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.246 -0.434 . . . . 74.530000000000001 111.01 179.945 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -77.07 -53.11 8.2 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.223 -0.444 . . . . 74.430000000000007 110.925 179.969 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -68.04 -51.13 50.32 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.235 -0.439 . . . . 71.120000000000005 110.878 179.89 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 48' ' ' ALA . . . . . 0.416 ' HB1' ' HB2' ' A' ' 16' ' ' LYS . . . -51.82 -44.58 63.58 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.325 -0.398 . . . . 62.140000000000001 111.148 179.797 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 41.5 tt0 -77.23 -30.89 54.77 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.186 -0.461 . . . . 64.209999999999994 110.869 -179.906 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 1.3 mm-40 -65.94 -51.34 59.36 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.177 -0.465 . . . . 71.109999999999999 110.861 -179.976 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 51' ' ' LEU . . . . . 0.768 HD22 ' HB3' ' B' ' 41' ' ' CYS . 3.6 pp -70.0 -40.42 75.29 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.154 -0.476 . . . . 70.209999999999994 110.96 -179.918 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 52' ' ' PHE . . . . . . . . . . . . . 34.8 t80 -69.54 -23.82 63.63 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.147 -0.479 . . . . 74.319999999999993 110.922 179.846 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -64.68 -59.0 4.77 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.146 -0.479 . . . . 74.129999999999995 110.947 179.944 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 54' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -75.23 -23.59 57.58 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.12 -0.491 . . . . 74.239999999999995 110.931 179.936 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 55' ' ' ALA . . . . . 0.423 ' HB2' ' O ' ' A' ' 51' ' ' LEU . . . -56.18 -37.03 69.04 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.133 -0.485 . . . . 62.530000000000001 111.107 179.818 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 13.9 mt-10 -53.01 -32.84 48.8 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.223 -0.444 . . . . 74.230000000000004 110.876 -179.922 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 2.0 tm-20 -60.32 -50.99 71.42 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.094 -0.503 . . . . 74.439999999999998 110.898 -179.938 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 58' ' ' ARG . . . . . 0.448 HH22 HD21 ' B' ' 37' ' ' LEU . 0.1 OUTLIER -78.22 -22.3 48.72 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.145 -0.48 . . . . 73.450000000000003 110.886 -179.943 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 59' ' ' LEU . . . . . 0.834 HD13 ' HB2' ' A' ' 9' ' ' ALA . 39.2 mt -82.98 -76.72 0.26 Allowed 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.151 -0.477 . . . . 71.409999999999997 110.89 -179.903 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -102.36 -175.68 2.89 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.23 -0.441 . . . . 51.409999999999997 110.896 179.787 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -101.83 -26.99 13.26 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.221 -0.445 . . . . 65.239999999999995 110.835 179.92 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 1.7 mt . . . . . 0 C--N 1.328 -0.356 0 CA-C-N 116.226 -0.443 . . . . 74.129999999999995 110.906 179.896 . . . . . . . . 0 0 . 1 . 007 nuclear nobuild core ' B' B ' 1' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.458 -0.074 0 CA-C-O 120.873 0.368 . . . . 63.020000000000003 110.914 . . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 2' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 63.09 162.21 0.1 Allowed 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.161 -0.472 . . . . 72.420000000000002 110.883 179.929 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 3' ' ' LYS . . . . . . . . . . . . . 15.0 ttpt -141.67 -42.35 0.36 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.232 -0.44 . . . . 70.420000000000002 110.837 179.871 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 4' ' ' LEU . . . . . . . . . . . . . 3.8 mm? -71.27 -33.05 69.42 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.211 -0.449 . . . . 72.140000000000001 110.944 179.907 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 5' ' ' ARG . . . . . . . . . . . . . 5.3 mtt-85 -71.88 -40.69 68.74 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.236 -0.438 . . . . 70.340000000000003 110.888 179.906 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 6' ' ' GLU . . . . . 0.802 ' HA ' HD22 ' B' ' 59' ' ' LEU . 4.9 tt0 -53.43 -26.71 21.14 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.19 -0.459 . . . . 71.319999999999993 110.904 -179.948 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 7' ' ' GLU . . . . . . . . . . . . . 67.1 mt-10 -55.02 -28.15 49.89 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.168 -0.469 . . . . 75.329999999999998 110.913 -179.918 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 8' ' ' ALA . . . . . 0.499 ' HA ' HD21 ' B' ' 11' ' ' LEU . . . -75.76 -26.62 57.55 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.142 -0.481 . . . . 55.329999999999998 111.143 179.897 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 9' ' ' ALA . . . . . 0.623 ' HB2' HD13 ' B' ' 59' ' ' LEU . . . -77.22 -26.02 52.27 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.196 -0.456 . . . . 62.109999999999999 111.125 179.922 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 10' ' ' LYS . . . . . . . . . . . . . 19.5 mtpt -68.06 -54.09 20.85 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.224 -0.444 . . . . 62.149999999999999 110.893 179.952 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 11' ' ' LEU . . . . . 0.569 HD12 ' N ' ' B' ' 12' ' ' PHE . 1.5 pp -55.89 -44.33 78.07 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.253 -0.431 . . . . 45.439999999999998 110.871 179.949 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 12' ' ' PHE . . . . . 0.569 ' N ' HD12 ' B' ' 11' ' ' LEU . 14.2 m-85 -67.12 -20.54 65.79 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.227 -0.442 . . . . 73.319999999999993 110.915 179.951 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 13' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -61.99 -26.06 68.0 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.111 -0.495 . . . . 74.040000000000006 110.869 -179.887 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 14' ' ' GLU . . . . . . . . . . . . . 5.1 mt-10 -72.42 -34.45 67.85 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.18 -0.464 . . . . 75.439999999999998 110.895 -179.888 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 15' ' ' TRP . . . . . 0.419 ' CD2' ' HB2' ' B' ' 48' ' ' ALA . 5.6 t90 -66.88 -43.39 83.61 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.114 -0.493 . . . . 74.310000000000002 110.912 179.973 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 16' ' ' LYS . . . . . . . . . . . . . 3.0 ttpt -77.53 -30.31 52.78 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.303 -0.408 . . . . 62.210000000000001 110.947 179.891 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 17' ' ' LYS . . . . . . . . . . . . . 2.5 mmmt -75.3 -58.14 3.47 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.212 -0.449 . . . . 73.409999999999997 110.887 179.822 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 18' ' ' LEU . . . . . . . . . . . . . 89.3 mt -54.55 -31.95 57.41 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.223 -0.444 . . . . 72.400000000000006 110.896 179.962 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 19' ' ' ALA . . . . . 0.491 ' CB ' ' HB2' ' B' ' 45' ' ' ALA . . . -66.14 -28.08 68.52 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.183 -0.462 . . . . 53.539999999999999 111.138 179.761 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 20' ' ' GLU . . . . . . . . . . . . . 1.6 mt-10 -73.57 -49.26 27.23 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.198 -0.455 . . . . 72.329999999999998 110.867 -179.895 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 21' ' ' GLU . . . . . . . . . . . . . 3.3 mm-40 -72.87 -51.3 19.26 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.102 -0.499 . . . . 74.140000000000001 110.889 -179.947 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 22' ' ' ALA . . . . . . . . . . . . . . . -55.59 -22.76 23.65 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.193 -0.458 . . . . 62.520000000000003 111.118 179.907 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 23' ' ' ALA . . . . . 0.429 ' HB2' ' O ' ' B' ' 19' ' ' ALA . . . -76.2 -54.56 6.62 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.182 -0.463 . . . . 64.129999999999995 111.095 179.964 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 24' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -66.75 -29.92 70.01 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.228 -0.442 . . . . 72.310000000000002 110.91 179.928 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 25' ' ' LEU . . . . . 0.435 HD23 ' HA ' ' B' ' 25' ' ' LEU . 5.0 mt -77.69 -42.35 34.84 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.252 -0.431 . . . . 75.420000000000002 110.98 179.912 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 26' ' ' LEU . . . . . . . . . . . . . 5.3 mt -50.44 -50.12 53.06 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.12 -0.491 . . . . 73.109999999999999 110.912 179.849 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 27' ' ' GLU . . . . . . . . . . . . . 18.1 mt-10 -90.71 12.21 19.82 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.169 -0.469 . . . . 72.319999999999993 110.892 179.958 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 28' ' ' GLY . . . . . . . . . . . . . . . -59.29 -14.57 26.97 Favored Glycine 0 N--CA 1.451 -0.331 0 C-N-CA 120.708 -0.758 . . . . 70.209999999999994 112.541 179.998 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 29' ' ' GLY . . . . . . . . . . . . . . . 135.31 46.12 0.09 OUTLIER Glycine 0 N--CA 1.451 -0.364 0 C-N-CA 120.801 -0.714 . . . . 64.329999999999998 112.551 -179.883 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 30' ' ' GLY . . . . . . . . . . . . . . . 150.76 88.57 0.07 OUTLIER Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 120.707 -0.759 . . . . 74.120000000000005 112.48 -179.906 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 31' ' ' GLY . . . . . . . . . . . . . . . 146.58 40.97 0.04 OUTLIER Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.72 -0.752 . . . . 75.230000000000004 112.486 -179.943 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 32' ' ' GLY . . . . . . . . . . . . . . . -161.95 173.09 38.24 Favored Glycine 0 N--CA 1.451 -0.338 0 C-N-CA 120.818 -0.706 . . . . 55.310000000000002 112.555 -179.981 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 33' ' ' GLY . . . . . . . . . . . . . . . -161.96 49.71 0.34 Allowed Glycine 0 N--CA 1.451 -0.358 0 C-N-CA 120.733 -0.746 . . . . 74.340000000000003 112.455 -179.842 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 34' ' ' GLY . . . . . . . . . . . . . . . 131.71 -135.19 8.04 Favored Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 120.755 -0.736 . . . . 64.310000000000002 112.462 -179.958 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 35' ' ' GLY . . . . . . . . . . . . . . . -130.22 -64.67 0.1 Allowed Glycine 0 N--CA 1.45 -0.388 0 C-N-CA 120.745 -0.741 . . . . 72.340000000000003 112.505 -179.945 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 36' ' ' GLU . . . . . . . . . . . . . 23.5 tt0 -52.82 -35.87 57.72 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.892 0.377 . . . . 71.239999999999995 110.886 -179.869 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 37' ' ' LEU . . . . . 0.448 HD21 HH22 ' A' ' 58' ' ' ARG . 7.2 tp -57.37 -47.99 80.19 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.156 -0.474 . . . . 75.329999999999998 110.91 179.941 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 38' ' ' MET . . . . . 0.406 ' HE2' ' HA ' ' B' ' 38' ' ' MET . 0.1 OUTLIER -70.38 -26.64 63.8 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.187 -0.46 . . . . 64.129999999999995 110.827 179.914 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' B' B ' 39' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -54.0 -27.68 33.31 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.267 -0.424 . . . . 72.530000000000001 110.89 179.965 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 40' ' ' LEU . . . . . . . . . . . . . 2.1 mt -54.01 -61.13 2.5 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.244 -0.434 . . . . 65.510000000000005 110.886 179.917 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 41' ' ' CYS . . . . . 0.768 ' HB3' HD22 ' A' ' 51' ' ' LEU . 29.3 p -70.24 -28.4 65.22 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.191 -0.458 . . . . 61.43 110.839 179.997 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 42' ' ' GLU . . . . . . . . . . . . . 29.6 tt0 -60.45 -25.52 66.06 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.194 -0.457 . . . . 60.219999999999999 110.861 -179.822 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 43' ' ' GLU . . . . . . . . . . . . . 1.4 mm-40 -54.97 -26.02 33.8 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.184 -0.462 . . . . 62.43 110.833 -179.937 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 44' ' ' ALA . . . . . . . . . . . . . . . -51.75 -47.5 64.06 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.165 -0.47 . . . . 74.530000000000001 111.1 179.955 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 45' ' ' ALA . . . . . 0.491 ' HB2' ' CB ' ' B' ' 19' ' ' ALA . . . -71.85 -22.86 61.47 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.155 -0.475 . . . . 64.099999999999994 111.133 179.918 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 46' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -76.49 -52.75 9.2 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.225 -0.443 . . . . 64.25 110.923 179.935 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 47' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -68.45 -48.49 64.4 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.248 -0.433 . . . . 74.400000000000006 110.873 179.86 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 48' ' ' ALA . . . . . 0.419 ' HB2' ' CD2' ' B' ' 15' ' ' TRP . . . -51.89 -46.47 64.56 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.186 -0.461 . . . . 65.319999999999993 111.045 179.876 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 49' ' ' GLU . . . . . . . . . . . . . 42.2 tt0 -77.23 -30.6 54.63 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.238 -0.437 . . . . 62.530000000000001 110.852 -179.883 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 50' ' ' GLU . . . . . . . . . . . . . 1.2 mm-40 -64.83 -51.26 63.05 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.226 -0.443 . . . . 71.519999999999996 110.871 -179.945 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 51' ' ' LEU . . . . . 0.723 ' CB ' HD13 ' A' ' 40' ' ' LEU . 3.6 pp -71.67 -40.31 69.7 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.158 -0.474 . . . . 72.310000000000002 110.93 179.989 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 52' ' ' PHE . . . . . 0.405 ' CE1' ' HB1' ' B' ' 9' ' ' ALA . 32.3 t80 -69.06 -23.82 64.09 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.261 -0.427 . . . . 71.329999999999998 110.893 179.916 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 53' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -62.02 -57.01 13.26 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.158 -0.474 . . . . 71.140000000000001 110.937 179.927 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 54' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -75.06 -23.71 58.12 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.207 -0.451 . . . . 74.140000000000001 110.928 179.891 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 55' ' ' ALA . . . . . . . . . . . . . . . -57.7 -36.48 72.04 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.177 -0.465 . . . . 63.350000000000001 111.089 179.811 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 56' ' ' GLU . . . . . . . . . . . . . 14.1 mt-10 -52.97 -33.26 50.47 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.234 -0.439 . . . . 75.209999999999994 110.909 -179.908 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 57' ' ' GLU . . . . . . . . . . . . . 2.0 tm-20 -60.38 -50.36 73.92 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.062 -0.517 . . . . 75.430000000000007 110.876 -179.898 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 58' ' ' ARG . . . . . 0.523 HH22 HD21 ' A' ' 37' ' ' LEU . 0.0 OUTLIER -78.26 -22.65 48.01 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.168 -0.469 . . . . 74.400000000000006 110.824 -179.875 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' B' B ' 59' ' ' LEU . . . . . 0.802 HD22 ' HA ' ' B' ' 6' ' ' GLU . 36.1 mt -83.04 -76.61 0.27 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.221 -0.445 . . . . 63.119999999999997 110.919 -179.983 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 60' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -102.32 -175.79 2.93 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.24 -0.437 . . . . 71.349999999999994 110.927 179.852 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 61' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -101.92 -26.78 13.31 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.298 -0.41 . . . . 70.349999999999994 110.87 179.948 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 62' ' ' LEU . . . . . . . . . . . . . 1.7 mt . . . . . 0 C--N 1.329 -0.315 0 CA-C-N 116.211 -0.449 . . . . 73.450000000000003 110.872 179.877 . . . . . . . . 0 0 . 1 . 008 nuclear nobuild core ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 6.1 pttm . . . . . 0 C--O 1.232 0.136 0 CA-C-O 120.805 0.336 . . . . 64.310000000000002 110.909 . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild core ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -178.4 -39.65 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.198 -0.455 . . . . 62.109999999999999 110.941 179.906 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 4.4 mm? -78.4 -32.94 49.02 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.191 -0.459 . . . . 74.439999999999998 110.865 179.929 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -71.72 -35.73 70.28 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.186 -0.461 . . . . 74.0 110.863 179.989 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 6' ' ' GLU . . . . . 0.507 ' CA ' HD13 ' A' ' 59' ' ' LEU . 0.2 OUTLIER -54.31 -27.78 37.9 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.195 -0.457 . . . . 70.319999999999993 110.813 -179.919 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -53.92 -51.81 62.57 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.199 -0.455 . . . . 75.5 110.85 -179.9 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -52.97 -28.13 22.35 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.251 -0.432 . . . . 71.349999999999994 111.102 179.889 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 9' ' ' ALA . . . . . 0.658 ' HB2' ' HB1' ' A' ' 55' ' ' ALA . . . -67.95 -39.21 83.44 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.187 -0.461 . . . . 63.039999999999999 111.103 179.968 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -74.97 -31.87 61.55 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.194 -0.457 . . . . 73.409999999999997 110.882 179.961 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 63.1 mt -51.87 -47.29 64.57 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.265 -0.425 . . . . 70.0 110.948 179.954 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 12' ' ' PHE . . . . . 0.418 ' CZ ' HD13 ' A' ' 51' ' ' LEU . 23.0 m-85 -74.17 -23.37 59.23 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.169 -0.469 . . . . 63.409999999999997 110.871 179.95 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 4.2 tm-20 -61.01 -35.91 78.09 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.095 -0.502 . . . . 74.430000000000007 110.918 -179.933 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 4.3 mt-10 -74.81 -30.4 61.4 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.158 -0.474 . . . . 74.310000000000002 110.917 -179.93 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 15' ' ' TRP . . . . . . . . . . . . . 20.4 m0 -60.04 -52.8 63.84 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.161 -0.472 . . . . 71.0 110.863 -179.995 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 7.2 tttp -68.8 -28.93 67.2 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.269 -0.423 . . . . 74.530000000000001 110.874 179.989 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -68.09 -57.6 5.84 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.236 -0.438 . . . . 70.310000000000002 110.926 179.847 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 18' ' ' LEU . . . . . 0.681 HD13 HD13 ' B' ' 18' ' ' LEU . 3.6 mt -54.93 -44.97 74.75 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.208 -0.451 . . . . 73.299999999999997 110.912 179.902 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -61.71 -34.28 75.51 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.185 -0.461 . . . . 31.239999999999998 111.076 179.831 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -57.88 -49.29 77.23 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.189 -0.46 . . . . 50.409999999999997 110.904 -179.939 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 32.6 mt-10 -74.03 -48.85 27.21 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.205 -0.452 . . . . 60.240000000000002 110.83 -179.915 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -56.38 -31.01 63.43 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.261 -0.427 . . . . 65.120000000000005 111.081 179.941 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -71.02 -54.26 11.86 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.235 -0.439 . . . . 64.120000000000005 111.139 179.893 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 5.3 ptpt -62.53 -35.1 78.37 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.233 -0.439 . . . . 75.120000000000005 110.943 179.881 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 25' ' ' LEU . . . . . 0.401 ' HA ' HD23 ' A' ' 25' ' ' LEU . 6.7 mt -76.53 -39.08 53.96 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.266 -0.425 . . . . 63.5 110.909 179.945 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 2.1 mt -50.44 -49.73 54.1 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.179 -0.464 . . . . 74.030000000000001 110.922 179.902 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -82.64 -12.25 57.78 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.137 -0.483 . . . . 73.140000000000001 110.866 179.967 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . 67.32 20.83 71.76 Favored Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 120.766 -0.73 . . . . 75.409999999999997 112.464 -179.967 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . 70.95 21.36 78.23 Favored Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.799 -0.715 . . . . 70.319999999999993 112.482 -179.882 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . 143.39 -40.54 1.21 Allowed Glycine 0 N--CA 1.452 -0.239 0 C-N-CA 120.684 -0.77 . . . . 52.140000000000001 112.447 -179.939 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . -84.84 77.09 2.14 Favored Glycine 0 N--CA 1.451 -0.347 0 C-N-CA 120.818 -0.706 . . . . 61.32 112.464 -179.867 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . -174.04 -149.48 7.06 Favored Glycine 0 N--CA 1.451 -0.364 0 C-N-CA 120.794 -0.717 . . . . 75.340000000000003 112.505 -179.912 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -65.44 -69.46 1.34 Allowed Glycine 0 N--CA 1.45 -0.376 0 C-N-CA 120.775 -0.726 . . . . 71.25 112.501 -179.944 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 67.27 44.6 85.33 Favored Glycine 0 N--CA 1.452 -0.272 0 C-N-CA 120.75 -0.738 . . . . 73.120000000000005 112.455 -179.9 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . -137.81 -170.33 11.85 Favored Glycine 0 N--CA 1.451 -0.335 0 C-N-CA 120.707 -0.759 . . . . 65.409999999999997 112.467 -179.892 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 28.5 tt0 -54.49 -30.73 54.19 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.852 0.358 . . . . 72.230000000000004 110.876 -179.908 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 1.7 pp -54.19 -30.43 49.66 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.157 -0.474 . . . . 55.219999999999999 110.834 -179.934 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 38' ' ' MET . . . . . . . . . . . . . 0.4 OUTLIER -70.17 -39.27 75.37 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.186 -0.461 . . . . 64.340000000000003 110.898 179.844 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 25.9 ttmt -61.28 -28.31 69.09 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.216 -0.447 . . . . 62.539999999999999 110.906 179.964 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 1.6 mt -59.31 -56.44 22.07 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.207 -0.451 . . . . 55.420000000000002 110.974 179.879 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 41' ' ' CYS . . . . . . . . . . . . . 28.6 p -73.55 -27.89 61.58 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.14 -0.482 . . . . 74.120000000000005 110.804 179.963 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 29.8 tt0 -61.3 -26.11 67.57 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.226 -0.443 . . . . 74.430000000000007 110.893 -179.86 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 2.3 mt-10 -57.06 -26.99 61.31 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.179 -0.464 . . . . 54.409999999999997 110.897 -179.97 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -52.45 -44.13 65.34 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.149 -0.478 . . . . 64.25 111.102 179.909 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -75.05 -24.31 58.23 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.245 -0.434 . . . . 75.319999999999993 111.022 -179.974 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -74.56 -48.72 25.16 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.207 -0.452 . . . . 61.530000000000001 110.936 179.961 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 48.7 mmtt -69.74 -51.98 29.43 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.201 -0.454 . . . . 73.5 110.896 179.852 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -52.1 -40.63 61.54 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.243 -0.435 . . . . 52.530000000000001 111.178 179.77 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 1.7 tt0 -68.75 -34.35 75.44 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.167 -0.47 . . . . 71.409999999999997 110.907 -179.997 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 1.3 tp10 -71.94 -51.03 24.07 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.184 -0.462 . . . . 64.010000000000005 110.896 -179.917 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 51' ' ' LEU . . . . . 0.418 HD13 ' CZ ' ' A' ' 12' ' ' PHE . 1.2 pp -68.07 -26.02 65.63 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.093 -0.503 . . . . 73.219999999999999 110.941 179.966 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 52' ' ' PHE . . . . . . . . . . . . . 12.1 t80 -54.91 -30.81 59.22 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.22 -0.446 . . . . 74.5 110.877 179.965 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 1.1 mtpp -61.54 -35.8 78.76 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.137 -0.483 . . . . 61.340000000000003 110.88 -179.974 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 54' ' ' LEU . . . . . . . . . . . . . 6.6 tp -54.97 -26.22 35.13 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.19 -0.459 . . . . 60.409999999999997 110.859 179.905 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 55' ' ' ALA . . . . . 0.658 ' HB1' ' HB2' ' A' ' 9' ' ' ALA . . . -53.75 -28.88 37.08 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.218 -0.447 . . . . 61.509999999999998 111.187 179.769 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 56' ' ' GLU . . . . . 0.71 ' HB3' HD12 ' A' ' 62' ' ' LEU . 22.0 tt0 -65.53 -52.96 48.69 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.184 -0.462 . . . . 75.140000000000001 110.913 -179.942 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 9.8 tt0 -54.49 -40.8 68.86 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.144 -0.48 . . . . 75.420000000000002 110.888 179.993 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 4.7 mtp180 -78.14 -25.11 47.18 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.126 -0.488 . . . . 73.319999999999993 110.905 -179.882 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 59' ' ' LEU . . . . . 0.507 HD13 ' CA ' ' A' ' 6' ' ' GLU . 63.6 tp -85.55 -68.12 0.75 Allowed 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.158 -0.474 . . . . 43.439999999999998 110.87 -179.974 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 60' ' ' LYS . . . . . 0.46 ' HD3' HD23 ' A' ' 59' ' ' LEU . 0.0 OUTLIER -102.57 -75.28 0.61 Allowed 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.294 -0.412 . . . . 73.140000000000001 110.925 179.806 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER -179.79 -34.4 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.243 -0.435 . . . . 74.5 110.937 179.874 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 62' ' ' LEU . . . . . 0.71 HD12 ' HB3' ' A' ' 56' ' ' GLU . 6.5 tt . . . . . 0 C--N 1.329 -0.302 0 CA-C-N 116.178 -0.465 . . . . 53.420000000000002 110.84 179.88 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 1' ' ' MET . . . . . . . . . . . . . 1.5 ttp . . . . . 0 C--O 1.231 0.117 0 CA-C-O 120.913 0.387 . . . . 64.239999999999995 110.869 . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild core ' B' B ' 2' ' ' LYS . . . . . . . . . . . . . 6.0 pttm -52.17 148.03 6.86 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.232 -0.44 . . . . 75.409999999999997 110.844 179.973 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 3' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -178.36 -39.76 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.175 -0.466 . . . . 74.510000000000005 110.905 179.814 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 4' ' ' LEU . . . . . . . . . . . . . 4.4 mm? -78.25 -32.82 49.86 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.169 -0.469 . . . . 73.099999999999994 110.893 179.984 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 5' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -71.93 -35.89 69.77 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.164 -0.471 . . . . 74.420000000000002 110.863 179.935 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 6' ' ' GLU . . . . . 0.522 ' CA ' HD13 ' B' ' 59' ' ' LEU . 0.2 OUTLIER -54.35 -27.26 34.91 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.232 -0.44 . . . . 74.530000000000001 110.912 -179.933 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' B' B ' 7' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -53.72 -51.64 62.64 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.1 -0.5 . . . . 75.420000000000002 110.916 -179.932 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 8' ' ' ALA . . . . . . . . . . . . . . . -52.86 -27.66 19.44 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.149 -0.478 . . . . 33.420000000000002 111.085 179.935 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 9' ' ' ALA . . . . . 0.68 ' HB2' ' HB1' ' B' ' 55' ' ' ALA . . . -67.16 -39.63 86.54 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.227 -0.442 . . . . 65.230000000000004 111.114 179.905 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 10' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -76.09 -31.98 59.0 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.198 -0.456 . . . . 71.510000000000005 110.931 179.999 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 11' ' ' LEU . . . . . . . . . . . . . 60.9 mt -51.82 -47.5 64.29 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.234 -0.439 . . . . 73.319999999999993 110.882 179.861 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 12' ' ' PHE . . . . . . . . . . . . . 22.7 m-85 -74.08 -23.34 59.33 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.145 -0.48 . . . . 74.230000000000004 110.904 179.981 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 13' ' ' GLU . . . . . . . . . . . . . 4.1 tm-20 -61.01 -35.43 76.84 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.113 -0.494 . . . . 54.439999999999998 110.863 -179.935 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 14' ' ' GLU . . . . . . . . . . . . . 4.3 mt-10 -74.31 -30.93 62.28 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.169 -0.469 . . . . 64.319999999999993 110.885 -179.912 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 15' ' ' TRP . . . . . . . . . . . . . 19.8 m0 -60.19 -53.08 62.02 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.203 -0.453 . . . . 73.530000000000001 110.915 -179.984 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 16' ' ' LYS . . . . . . . . . . . . . 7.2 tttp -68.88 -29.06 67.27 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.201 -0.454 . . . . 73.109999999999999 110.938 179.917 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 17' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -68.2 -57.71 5.59 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.217 -0.447 . . . . 75.140000000000001 110.9 179.875 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 18' ' ' LEU . . . . . 0.681 HD13 HD13 ' A' ' 18' ' ' LEU . 3.6 mt -54.99 -44.94 74.93 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.214 -0.448 . . . . 72.099999999999994 110.918 179.93 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 19' ' ' ALA . . . . . . . . . . . . . . . -61.82 -34.44 75.95 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.175 -0.466 . . . . 73.030000000000001 111.137 179.774 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 20' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -57.83 -49.29 77.15 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.275 -0.421 . . . . 75.109999999999999 110.876 -179.989 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 21' ' ' GLU . . . . . . . . . . . . . 32.5 mt-10 -74.09 -48.97 26.1 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.191 -0.459 . . . . 74.540000000000006 110.811 -179.859 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 22' ' ' ALA . . . . . . . . . . . . . . . -56.33 -30.9 63.2 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.185 -0.461 . . . . 73.219999999999999 111.1 179.987 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 23' ' ' ALA . . . . . . . . . . . . . . . -71.08 -54.21 11.92 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.187 -0.461 . . . . 72.519999999999996 111.065 179.922 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 24' ' ' LYS . . . . . . . . . . . . . 5.2 ptpt -62.67 -35.02 78.33 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.289 -0.414 . . . . 75.25 110.877 -179.984 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 25' ' ' LEU . . . . . . . . . . . . . 6.7 mt -76.65 -39.02 53.57 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.185 -0.461 . . . . 75.040000000000006 110.901 179.971 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 26' ' ' LEU . . . . . . . . . . . . . 2.3 mt -50.43 -49.81 53.83 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.21 -0.45 . . . . 72.510000000000005 110.937 179.874 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 27' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -82.46 -12.32 57.92 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.128 -0.487 . . . . 71.349999999999994 110.905 179.9 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 28' ' ' GLY . . . . . . . . . . . . . . . 67.08 21.26 71.63 Favored Glycine 0 N--CA 1.451 -0.325 0 C-N-CA 120.754 -0.736 . . . . 61.219999999999999 112.504 -179.904 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 29' ' ' GLY . . . . . . . . . . . . . . . 71.35 21.15 78.59 Favored Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.735 -0.745 . . . . 60.310000000000002 112.512 -179.925 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 30' ' ' GLY . . . . . . . . . . . . . . . 143.26 -40.44 1.23 Allowed Glycine 0 N--CA 1.451 -0.32 0 C-N-CA 120.721 -0.752 . . . . 43.409999999999997 112.45 -179.902 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 31' ' ' GLY . . . . . . . . . . . . . . . -85.08 77.41 2.11 Favored Glycine 0 N--CA 1.452 -0.298 0 C-N-CA 120.75 -0.738 . . . . 70.140000000000001 112.441 -179.915 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 32' ' ' GLY . . . . . . . . . . . . . . . -173.71 -149.97 7.28 Favored Glycine 0 N--CA 1.452 -0.285 0 C-N-CA 120.75 -0.738 . . . . 73.0 112.458 -179.945 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 33' ' ' GLY . . . . . . . . . . . . . . . -65.67 -69.66 1.29 Allowed Glycine 0 N--CA 1.45 -0.375 0 C-N-CA 120.75 -0.738 . . . . 54.219999999999999 112.566 -179.997 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 34' ' ' GLY . . . . . . . . . . . . . . . 67.37 44.47 84.59 Favored Glycine 0 N--CA 1.45 -0.39 0 C-N-CA 120.739 -0.743 . . . . 64.230000000000004 112.496 -179.95 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 35' ' ' GLY . . . . . . . . . . . . . . . -137.83 -170.46 11.88 Favored Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.693 -0.765 . . . . 72.209999999999994 112.428 -179.924 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 36' ' ' GLU . . . . . . . . . . . . . 28.4 tt0 -54.86 -31.06 59.22 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-O 120.853 0.359 . . . . 73.400000000000006 110.865 -179.842 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 37' ' ' LEU . . . . . . . . . . . . . 1.7 pp -54.34 -31.22 53.93 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.157 -0.474 . . . . 72.140000000000001 110.953 -179.995 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 38' ' ' MET . . . . . . . . . . . . . 0.4 OUTLIER -70.7 -39.08 73.65 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.12 -0.491 . . . . 73.120000000000005 110.965 179.799 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 39' ' ' LYS . . . . . . . . . . . . . 26.0 ttmt -61.26 -28.12 68.95 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.192 -0.458 . . . . 71.329999999999998 110.899 179.908 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 40' ' ' LEU . . . . . . . . . . . . . 1.6 mt -58.82 -56.64 19.65 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.23 -0.441 . . . . 72.329999999999998 110.901 179.926 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 41' ' ' CYS . . . . . . . . . . . . . 29.0 p -73.54 -27.89 61.58 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.219 -0.446 . . . . 52.329999999999998 110.902 179.961 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 42' ' ' GLU . . . . . . . . . . . . . 30.0 tt0 -61.05 -25.94 67.28 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.116 -0.493 . . . . 74.219999999999999 110.917 -179.867 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 43' ' ' GLU . . . . . . . . . . . . . 2.3 mt-10 -56.91 -27.09 60.4 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.11 -0.495 . . . . 73.120000000000005 110.857 -179.877 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 44' ' ' ALA . . . . . . . . . . . . . . . -52.44 -44.02 65.24 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.135 -0.484 . . . . 71.400000000000006 111.082 179.938 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 45' ' ' ALA . . . . . . . . . . . . . . . -75.13 -24.34 57.99 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.222 -0.445 . . . . 74.239999999999995 111.056 -179.988 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 46' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -74.44 -48.93 24.56 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.177 -0.465 . . . . 75.140000000000001 110.853 179.967 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 47' ' ' LYS . . . . . . . . . . . . . 48.5 mmtt -70.13 -51.54 30.67 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.225 -0.443 . . . . 72.230000000000004 110.934 179.873 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 48' ' ' ALA . . . . . . . . . . . . . . . -51.93 -40.56 60.98 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.168 -0.469 . . . . 74.129999999999995 111.118 179.824 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 49' ' ' GLU . . . . . . . . . . . . . 1.7 tt0 -68.62 -34.35 75.6 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.194 -0.457 . . . . 63.399999999999999 110.93 -179.916 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 50' ' ' GLU . . . . . . . . . . . . . 1.3 tp10 -72.25 -50.96 23.25 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.099 -0.5 . . . . 71.030000000000001 110.879 -179.922 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 51' ' ' LEU . . . . . . . . . . . . . 1.2 pp -68.19 -24.06 64.91 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.165 -0.471 . . . . 71.310000000000002 110.917 -179.94 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 52' ' ' PHE . . . . . . . . . . . . . 11.3 t80 -53.99 -31.74 51.83 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.18 -0.463 . . . . 73.040000000000006 110.814 179.992 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 53' ' ' LYS . . . . . . . . . . . . . 1.1 mtpp -61.92 -33.0 73.45 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.174 -0.466 . . . . 74.439999999999998 110.804 179.992 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 54' ' ' LEU . . . . . . . . . . . . . 6.7 tp -55.21 -25.37 32.61 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.326 -0.397 . . . . 53.450000000000003 110.886 179.954 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 55' ' ' ALA . . . . . 0.68 ' HB1' ' HB2' ' B' ' 9' ' ' ALA . . . -54.87 -33.87 62.32 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.21 -0.45 . . . . 30.530000000000001 111.098 179.821 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 56' ' ' GLU . . . . . 0.673 ' HB2' HD12 ' B' ' 62' ' ' LEU . 44.3 mt-10 -66.42 -36.55 83.09 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.239 -0.437 . . . . 72.129999999999995 110.859 -179.922 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 57' ' ' GLU . . . . . . . . . . . . . 9.9 tt0 -59.84 -47.81 84.24 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.178 -0.465 . . . . 65.109999999999999 110.915 -179.953 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 58' ' ' ARG . . . . . . . . . . . . . 3.6 mpp_? -78.8 -29.31 44.81 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.193 -0.458 . . . . 61.409999999999997 110.823 -179.896 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 59' ' ' LEU . . . . . 0.522 HD13 ' CA ' ' B' ' 6' ' ' GLU . 47.5 tp -74.47 -67.08 0.66 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.205 -0.452 . . . . 73.25 110.899 -179.96 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 60' ' ' LYS . . . . . 0.519 ' HD3' HD23 ' B' ' 59' ' ' LEU . 0.0 OUTLIER -111.77 -75.98 0.6 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.205 -0.452 . . . . 72.329999999999998 110.831 179.907 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' B' B ' 61' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER 179.04 -33.81 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.134 -0.485 . . . . 75.019999999999996 110.917 179.918 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 62' ' ' LEU . . . . . 0.673 HD12 ' HB2' ' B' ' 56' ' ' GLU . 6.7 tt . . . . . 0 C--N 1.328 -0.335 0 CA-C-N 116.169 -0.469 . . . . 51.43 110.892 179.897 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 6.9 pttt . . . . . 0 C--O 1.233 0.185 0 CA-C-O 120.869 0.366 . . . . 75.129999999999995 110.895 . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild core ' A' A ' 3' ' ' LYS . . . . . 0.433 ' C ' HD22 ' A' ' 4' ' ' LEU . 1.9 mtpt -157.17 49.48 0.45 Allowed 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.248 -0.433 . . . . 72.209999999999994 110.911 179.862 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 4' ' ' LEU . . . . . 0.466 ' N ' HD22 ' A' ' 4' ' ' LEU . 1.7 mm? 60.57 17.86 7.81 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.198 -0.455 . . . . 62.43 110.888 179.891 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 0.8 OUTLIER -72.84 -41.06 65.21 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.223 -0.444 . . . . 75.450000000000003 110.829 -179.982 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 21.5 tt0 -53.96 -30.66 47.76 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.188 -0.46 . . . . 74.209999999999994 110.866 -179.921 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -55.28 -50.24 70.04 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.113 -0.494 . . . . 64.030000000000001 110.85 -179.893 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -54.4 -27.98 40.42 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.127 -0.488 . . . . 42.409999999999997 111.116 179.953 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 9' ' ' ALA . . . . . 0.442 ' HB2' ' HB1' ' A' ' 55' ' ' ALA . . . -74.03 -38.04 64.15 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.181 -0.463 . . . . 74.120000000000005 111.088 179.952 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 1.7 mtmt -70.89 -29.29 65.33 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.262 -0.426 . . . . 75.409999999999997 110.911 179.934 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 56.6 mt -51.65 -45.26 63.3 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.234 -0.439 . . . . 72.209999999999994 110.94 179.942 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 27.4 m-85 -74.23 -29.35 61.67 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.129 -0.487 . . . . 72.120000000000005 110.857 179.962 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -59.69 -36.5 76.63 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.131 -0.486 . . . . 74.129999999999995 110.935 -179.928 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 2.7 mt-10 -75.01 -33.85 61.85 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.123 -0.489 . . . . 75.519999999999996 110.931 179.99 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 15' ' ' TRP . . . . . . . . . . . . . 1.3 m0 -61.42 -45.96 92.14 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.15 -0.477 . . . . 74.349999999999994 110.872 -179.931 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 16' ' ' LYS . . . . . 0.408 ' HB2' ' HB3' ' A' ' 48' ' ' ALA . 0.3 OUTLIER -77.32 -27.57 52.9 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.247 -0.433 . . . . 72.299999999999997 110.841 179.969 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -71.58 -53.13 14.76 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.244 -0.435 . . . . 72.310000000000002 110.835 179.935 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 22.8 mt -54.79 -29.0 53.24 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.247 -0.433 . . . . 72.230000000000004 110.927 179.99 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -65.98 -34.88 79.11 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.142 -0.481 . . . . 74.310000000000002 111.154 179.754 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 3.3 tt0 -56.3 -49.31 74.66 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.185 -0.461 . . . . 62.43 110.86 -179.93 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 1.7 mm-40 -74.1 -51.52 15.46 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.204 -0.453 . . . . 70.230000000000004 110.846 -179.884 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -53.54 -30.64 42.75 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.136 -0.483 . . . . 63.210000000000001 111.113 179.952 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -70.8 -54.09 12.92 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.187 -0.46 . . . . 71.510000000000005 111.11 179.889 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -64.58 -33.42 75.89 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.242 -0.435 . . . . 75.209999999999994 110.9 179.978 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 25' ' ' LEU . . . . . 0.434 HD23 ' HA ' ' A' ' 25' ' ' LEU . 4.8 mt -76.59 -40.35 49.78 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.224 -0.444 . . . . 73.140000000000001 110.932 179.88 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 2.9 mt -50.74 -49.92 56.77 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 116.205 -0.452 . . . . 61.530000000000001 110.975 179.88 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 11.9 mm-40 -93.32 12.51 24.44 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.152 -0.476 . . . . 73.120000000000005 110.872 179.858 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . -59.29 -14.6 27.09 Favored Glycine 0 N--CA 1.453 -0.227 0 C-N-CA 120.784 -0.722 . . . . 55.109999999999999 112.456 -179.945 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . 138.68 47.48 0.06 OUTLIER Glycine 0 N--CA 1.451 -0.342 0 C-N-CA 120.746 -0.74 . . . . 41.030000000000001 112.493 -179.894 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . -175.6 35.09 0.1 OUTLIER Glycine 0 N--CA 1.452 -0.286 0 C-N-CA 120.703 -0.76 . . . . 74.409999999999997 112.43 -179.893 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . -130.01 -120.07 2.2 Favored Glycine 0 N--CA 1.452 -0.289 0 C-N-CA 120.683 -0.77 . . . . 44.030000000000001 112.478 -179.961 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . -109.51 -61.54 0.52 Allowed Glycine 0 N--CA 1.451 -0.347 0 C-N-CA 120.713 -0.756 . . . . 72.239999999999995 112.511 -179.932 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . 151.85 -60.43 0.41 Allowed Glycine 0 N--CA 1.451 -0.343 0 C-N-CA 120.718 -0.753 . . . . 62.109999999999999 112.452 -179.944 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 176.32 82.86 0.06 OUTLIER Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 120.768 -0.73 . . . . 74.519999999999996 112.463 -179.954 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . -144.1 -154.24 6.08 Favored Glycine 0 N--CA 1.451 -0.341 0 C-N-CA 120.707 -0.758 . . . . 72.030000000000001 112.491 -179.947 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 1.5 pt-20 -73.49 -12.69 60.87 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-O 120.8 0.333 . . . . 64.239999999999995 110.895 -179.914 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 4.8 tp -51.46 -55.16 20.33 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.188 -0.46 . . . . 75.030000000000001 110.95 -179.95 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 38' ' ' MET . . . . . . . . . . . . . 33.1 tpp -68.7 -34.42 75.62 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.203 -0.453 . . . . 64.299999999999997 110.874 179.787 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -55.23 -28.68 54.92 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.242 -0.435 . . . . 61.420000000000002 110.943 179.937 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 40' ' ' LEU . . . . . 0.562 ' CB ' HD21 ' B' ' 51' ' ' LEU . 4.7 mt -68.69 -57.13 6.11 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.177 -0.465 . . . . 65.310000000000002 110.892 179.941 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 41' ' ' CYS . . . . . . . . . . . . . 17.8 p -67.68 -24.4 65.41 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.201 -0.454 . . . . 64.409999999999997 110.874 179.962 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 1.7 mt-10 -55.87 -25.13 40.93 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.201 -0.454 . . . . 72.549999999999997 110.903 -179.956 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 12.2 mm-40 -54.28 -28.31 41.09 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.2 -0.455 . . . . 70.340000000000003 110.852 -179.975 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -51.51 -43.5 62.27 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.18 -0.463 . . . . 51.229999999999997 111.126 179.929 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -75.04 -22.84 58.15 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.155 -0.475 . . . . 73.230000000000004 111.128 179.928 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -77.75 -51.03 11.2 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.212 -0.449 . . . . 73.099999999999994 110.925 179.917 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 47' ' ' LYS . . . . . 0.463 ' C ' HD12 ' A' ' 51' ' ' LEU . 0.8 OUTLIER -69.03 -53.41 20.62 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.23 -0.441 . . . . 70.0 110.926 179.837 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 48' ' ' ALA . . . . . 0.408 ' HB3' ' HB2' ' A' ' 16' ' ' LYS . . . -51.96 -29.67 21.48 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.216 -0.447 . . . . 75.25 111.09 179.897 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 2.0 tt0 -71.26 -44.45 65.26 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.185 -0.461 . . . . 73.430000000000007 110.895 -179.961 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 27.1 tp10 -74.0 -33.43 63.8 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.118 -0.492 . . . . 63.299999999999997 110.914 -179.945 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 51' ' ' LEU . . . . . 0.685 ' HG ' HD13 ' B' ' 40' ' ' LEU . 2.4 mt -71.23 -38.2 71.98 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.145 -0.479 . . . . 62.119999999999997 110.886 -179.945 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 52' ' ' PHE . . . . . . . . . . . . . 43.1 t80 -53.86 -30.92 47.74 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.253 -0.43 . . . . 63.340000000000003 110.857 179.973 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 1.6 mptt -75.61 -39.82 57.35 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.136 -0.483 . . . . 75.030000000000001 110.9 179.931 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 54' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -59.54 -25.07 64.22 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.199 -0.455 . . . . 75.420000000000002 110.927 179.94 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 55' ' ' ALA . . . . . 0.442 ' HB1' ' HB2' ' A' ' 9' ' ' ALA . . . -68.4 -30.44 69.35 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.152 -0.476 . . . . 72.150000000000006 111.099 179.785 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 39.6 tt0 -52.83 -34.34 53.5 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.226 -0.443 . . . . 73.439999999999998 110.855 -179.908 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 2.3 tt0 -65.81 -43.0 89.95 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.193 -0.458 . . . . 74.239999999999995 110.901 -179.973 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 2.5 mpt_? -77.75 -25.66 49.33 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.126 -0.488 . . . . 75.439999999999998 110.907 -179.929 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 59' ' ' LEU . . . . . . . . . . . . . 1.5 tp -85.43 -73.65 0.43 Allowed 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.214 -0.448 . . . . 72.409999999999997 110.937 179.999 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -105.57 -175.55 2.83 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.188 -0.46 . . . . 74.420000000000002 110.888 179.782 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 5.5 mttt -102.0 29.49 5.01 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.187 -0.46 . . . . 74.510000000000005 110.93 179.864 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 3.4 mp . . . . . 0 C--N 1.329 -0.291 0 CA-C-N 116.259 -0.428 . . . . 51.25 110.975 179.942 . . . . . . . . 0 0 . 1 . 009 nuclear nobuild core ' B' B ' 1' ' ' MET . . . . . . . . . . . . . 6.2 mtm . . . . . 0 C--O 1.231 0.116 0 CA-C-O 120.856 0.36 . . . . 71.209999999999994 110.816 . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild core ' B' B ' 2' ' ' LYS . . . . . . . . . . . . . 6.8 pttt -122.3 171.07 9.31 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.18 -0.463 . . . . 75.530000000000001 110.922 179.916 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 3' ' ' LYS . . . . . 0.418 ' C ' HD22 ' B' ' 4' ' ' LEU . 1.7 mtpt -158.01 50.86 0.42 Allowed 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.253 -0.43 . . . . 74.530000000000001 110.925 179.809 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 4' ' ' LEU . . . . . 0.467 HD22 ' N ' ' B' ' 4' ' ' LEU . 1.8 mm? 60.47 18.14 7.93 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.212 -0.449 . . . . 75.019999999999996 110.958 179.977 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 5' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER -73.11 -38.44 66.34 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.195 -0.457 . . . . 54.140000000000001 110.899 179.939 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 6' ' ' GLU . . . . . 0.572 ' N ' HD23 ' B' ' 59' ' ' LEU . 20.3 tt0 -53.78 -28.39 34.56 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.22 -0.445 . . . . 72.5 110.89 -179.979 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 7' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -53.15 -50.97 63.46 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.123 -0.489 . . . . 74.230000000000004 110.924 -179.958 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 8' ' ' ALA . . . . . . . . . . . . . . . -52.51 -27.36 16.1 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.196 -0.456 . . . . 74.230000000000004 111.062 179.957 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 9' ' ' ALA . . . . . 0.697 ' HB2' ' CB ' ' B' ' 55' ' ' ALA . . . -74.26 -37.81 63.64 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.268 -0.424 . . . . 45.140000000000001 111.111 179.933 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 10' ' ' LYS . . . . . . . . . . . . . 1.7 mtmt -70.88 -34.97 72.13 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.238 -0.437 . . . . 74.310000000000002 110.918 179.973 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 11' ' ' LEU . . . . . . . . . . . . . 49.6 mt -51.86 -44.4 63.66 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.239 -0.437 . . . . 64.439999999999998 110.958 179.862 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 12' ' ' PHE . . . . . . . . . . . . . 27.4 m-85 -74.14 -24.97 59.5 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.275 -0.421 . . . . 74.219999999999999 110.882 179.917 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 13' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -53.85 -27.81 32.06 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.174 -0.466 . . . . 75.409999999999997 110.904 -179.938 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 14' ' ' GLU . . . . . . . . . . . . . 2.7 mt-10 -68.16 -38.21 81.84 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.133 -0.485 . . . . 74.319999999999993 110.881 -179.93 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 15' ' ' TRP . . . . . 0.408 ' CD1' ' HB1' ' B' ' 44' ' ' ALA . 5.2 t90 -64.7 -42.42 95.31 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.174 -0.466 . . . . 75.439999999999998 110.909 179.999 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 16' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -77.51 -29.01 52.25 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.276 -0.42 . . . . 70.319999999999993 110.92 179.892 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 17' ' ' LYS . . . . . . . . . . . . . 1.1 mmtp -75.05 -55.53 5.65 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.271 -0.422 . . . . 72.409999999999997 110.888 179.852 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 18' ' ' LEU . . . . . . . . . . . . . 22.7 mt -54.4 -26.95 33.41 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.163 -0.471 . . . . 64.140000000000001 110.942 179.927 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 19' ' ' ALA . . . . . . . . . . . . . . . -64.23 -39.43 93.96 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.161 -0.472 . . . . 72.530000000000001 111.098 179.792 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 20' ' ' GLU . . . . . . . . . . . . . 3.3 tt0 -56.41 -49.65 73.9 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.262 -0.426 . . . . 72.030000000000001 110.837 -179.924 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 21' ' ' GLU . . . . . . . . . . . . . 1.7 mm-40 -74.13 -51.52 15.36 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.16 -0.473 . . . . 75.140000000000001 110.863 -179.904 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 22' ' ' ALA . . . . . . . . . . . . . . . -53.34 -30.66 40.54 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.221 -0.445 . . . . 71.439999999999998 111.126 179.933 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 23' ' ' ALA . . . . . . . . . . . . . . . -70.78 -54.11 12.9 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.225 -0.443 . . . . 75.120000000000005 111.076 179.916 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 24' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -64.67 -33.49 76.06 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.277 -0.42 . . . . 73.340000000000003 110.898 179.989 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 25' ' ' LEU . . . . . 0.439 HD23 ' HA ' ' B' ' 25' ' ' LEU . 4.7 mt -76.46 -40.3 50.84 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.223 -0.444 . . . . 74.239999999999995 110.889 179.927 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 26' ' ' LEU . . . . . . . . . . . . . 2.8 mt -50.75 -50.28 56.06 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.208 -0.451 . . . . 74.239999999999995 110.96 179.916 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 27' ' ' GLU . . . . . . . . . . . . . 12.1 mm-40 -94.49 12.44 27.3 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.197 -0.456 . . . . 55.299999999999997 110.88 179.927 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 28' ' ' GLY . . . . . . . . . . . . . . . -59.22 -14.77 27.43 Favored Glycine 0 N--CA 1.452 -0.278 0 C-N-CA 120.757 -0.735 . . . . 31.129999999999999 112.41 -179.908 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 29' ' ' GLY . . . . . . . . . . . . . . . 136.54 47.11 0.08 OUTLIER Glycine 0 N--CA 1.451 -0.346 0 C-N-CA 120.733 -0.746 . . . . 43.229999999999997 112.455 -179.88 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 30' ' ' GLY . . . . . . . . . . . . . . . -176.46 36.67 0.09 OUTLIER Glycine 0 N--CA 1.451 -0.302 0 C-N-CA 120.739 -0.743 . . . . 50.310000000000002 112.474 -179.91 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 31' ' ' GLY . . . . . . . . . . . . . . . -129.0 -122.66 2.48 Favored Glycine 0 N--CA 1.45 -0.412 0 C-N-CA 120.731 -0.747 . . . . 71.030000000000001 112.502 -179.941 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 32' ' ' GLY . . . . . . . . . . . . . . . -111.62 -61.4 0.47 Allowed Glycine 0 N--CA 1.451 -0.334 0 C-N-CA 120.786 -0.721 . . . . 64.430000000000007 112.518 -179.884 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 33' ' ' GLY . . . . . . . . . . . . . . . 151.84 -58.22 0.43 Allowed Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 120.712 -0.756 . . . . 64.219999999999999 112.477 -179.886 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 34' ' ' GLY . . . . . . . . . . . . . . . 178.27 81.3 0.06 OUTLIER Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 120.732 -0.747 . . . . 53.509999999999998 112.474 -179.906 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 35' ' ' GLY . . . . . . . . . . . . . . . -144.99 -153.55 5.89 Favored Glycine 0 N--CA 1.452 -0.299 0 C-N-CA 120.694 -0.765 . . . . 43.210000000000001 112.525 -179.937 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 36' ' ' GLU . . . . . . . . . . . . . 1.5 pt-20 -73.81 -12.88 60.83 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 120.884 0.373 . . . . 41.530000000000001 110.873 -179.875 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 37' ' ' LEU . . . . . . . . . . . . . 4.6 tp -51.38 -55.86 16.29 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.185 -0.461 . . . . 75.150000000000006 110.929 -179.992 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 38' ' ' MET . . . . . . . . . . . . . 33.5 tpp -69.21 -34.25 74.6 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.206 -0.452 . . . . 64.239999999999995 110.843 179.848 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 39' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -54.17 -29.31 45.15 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.27 -0.423 . . . . 74.030000000000001 110.875 179.953 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 40' ' ' LEU . . . . . 0.685 HD13 ' HG ' ' A' ' 51' ' ' LEU . 5.1 mt -66.56 -59.17 3.87 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.231 -0.44 . . . . 71.319999999999993 110.899 179.955 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 41' ' ' CYS . . . . . . . . . . . . . 18.2 p -67.05 -25.36 66.22 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.141 -0.482 . . . . 72.219999999999999 110.987 179.869 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 42' ' ' GLU . . . . . . . . . . . . . 1.7 mt-10 -57.22 -25.48 59.16 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.125 -0.489 . . . . 75.5 110.89 -179.914 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 43' ' ' GLU . . . . . . . . . . . . . 12.3 mm-40 -54.6 -27.43 39.26 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.142 -0.481 . . . . 53.240000000000002 110.893 -179.935 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 44' ' ' ALA . . . . . 0.408 ' HB1' ' CD1' ' B' ' 15' ' ' TRP . . . -51.71 -45.76 63.69 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.107 -0.497 . . . . 61.130000000000003 111.157 179.887 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 45' ' ' ALA . . . . . . . . . . . . . . . -72.99 -22.91 60.6 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.175 -0.466 . . . . 63.210000000000001 111.109 179.895 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 46' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -76.89 -51.05 11.93 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.227 -0.442 . . . . 65.420000000000002 110.893 179.965 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 47' ' ' LYS . . . . . 0.476 ' C ' HD12 ' B' ' 51' ' ' LEU . 0.8 OUTLIER -70.71 -53.89 13.92 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.276 -0.42 . . . . 70.109999999999999 110.897 179.888 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' B' B ' 48' ' ' ALA . . . . . . . . . . . . . . . -51.89 -29.8 21.42 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.234 -0.439 . . . . 64.450000000000003 111.117 179.859 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 49' ' ' GLU . . . . . . . . . . . . . 2.0 tt0 -70.96 -44.39 66.14 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.18 -0.464 . . . . 75.239999999999995 110.87 -179.94 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 50' ' ' GLU . . . . . . . . . . . . . 27.1 tp10 -74.0 -35.02 64.39 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.147 -0.479 . . . . 75.25 110.975 -179.979 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 51' ' ' LEU . . . . . 0.562 HD21 ' CB ' ' A' ' 40' ' ' LEU . 2.5 mt -73.13 -45.62 55.77 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.088 -0.506 . . . . 71.299999999999997 110.921 -179.972 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 52' ' ' PHE . . . . . . . . . . . . . 42.8 t80 -53.84 -34.83 60.46 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.169 -0.469 . . . . 72.219999999999999 110.934 179.924 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 53' ' ' LYS . . . . . . . . . . . . . 1.7 mptt -76.2 -35.3 59.15 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.067 -0.515 . . . . 74.25 110.915 179.937 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 54' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -54.6 -27.89 42.46 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.248 -0.433 . . . . 72.230000000000004 110.934 179.907 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 55' ' ' ALA . . . . . 0.697 ' CB ' ' HB2' ' B' ' 9' ' ' ALA . . . -73.13 -35.83 66.59 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.081 -0.509 . . . . 51.020000000000003 111.09 179.814 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 56' ' ' GLU . . . . . . . . . . . . . 39.5 tt0 -52.59 -34.26 49.94 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.209 -0.451 . . . . 51.5 110.91 -179.973 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 57' ' ' GLU . . . . . . . . . . . . . 2.3 tt0 -66.11 -40.31 90.63 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 116.137 -0.483 . . . . 71.319999999999993 110.882 -179.878 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 58' ' ' ARG . . . . . . . . . . . . . 2.4 mpt_? -78.42 -28.29 46.78 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.137 -0.483 . . . . 73.430000000000007 110.894 -179.954 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 59' ' ' LEU . . . . . 0.572 HD23 ' N ' ' B' ' 6' ' ' GLU . 1.4 tm? -84.19 -69.95 0.61 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.182 -0.463 . . . . 73.25 110.874 -179.924 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 60' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -109.52 -175.05 2.65 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.204 -0.453 . . . . 75.209999999999994 110.975 179.815 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 61' ' ' LYS . . . . . . . . . . . . . 5.5 mttt -101.94 31.12 4.04 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.276 -0.42 . . . . 51.310000000000002 110.921 179.898 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 62' ' ' LEU . . . . . . . . . . . . . 3.4 mp . . . . . 0 C--N 1.329 -0.323 0 CA-C-N 116.161 -0.472 . . . . 64.219999999999999 110.926 179.996 . . . . . . . . 0 0 . 1 . 010 nuclear nobuild core ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.232 0.135 0 CA-C-O 120.732 0.301 . . . . 73.129999999999995 110.921 . . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 9.6 mttt -179.33 -38.48 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.249 -0.432 . . . . 73.25 110.91 179.839 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 4.5 mm? -90.4 -35.71 15.02 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.261 -0.427 . . . . 40.219999999999999 110.931 179.879 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 3.8 mtt-85 -68.21 -37.93 81.38 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.146 -0.479 . . . . 72.200000000000003 110.9 179.962 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 6' ' ' GLU . . . . . 0.408 ' O ' ' HB3' ' A' ' 9' ' ' ALA . 0.4 OUTLIER -53.76 -31.82 50.02 Favored 'General case' 0 C--N 1.331 -0.207 0 CA-C-N 116.152 -0.476 . . . . 60.25 110.898 -179.884 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 45.4 mm-40 -54.0 -42.85 69.52 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.103 -0.499 . . . . 72.200000000000003 110.894 -179.926 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -71.84 -26.71 62.48 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.163 -0.471 . . . . 65.329999999999998 111.11 179.914 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 9' ' ' ALA . . . . . 0.645 ' HB2' HD13 ' A' ' 59' ' ' LEU . . . -55.71 -49.19 73.7 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.256 -0.429 . . . . 63.020000000000003 111.118 179.897 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 20.8 mtpt -55.79 -38.92 70.56 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.173 -0.467 . . . . 64.120000000000005 110.913 179.963 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 44.0 mt -51.71 -41.95 61.88 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.192 -0.458 . . . . 75.129999999999995 110.913 179.944 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 12' ' ' PHE . . . . . 0.428 ' CG ' HD11 ' A' ' 51' ' ' LEU . 22.2 m-85 -74.26 -26.16 60.05 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.156 -0.475 . . . . 65.150000000000006 110.853 179.917 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -58.37 -41.66 85.26 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.201 -0.454 . . . . 64.109999999999999 110.933 -179.947 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 7.1 mt-10 -75.14 -27.57 59.82 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.059 -0.518 . . . . 74.239999999999995 110.923 -179.97 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 15' ' ' TRP . . . . . . . . . . . . . 1.2 m0 -60.67 -48.54 81.32 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.183 -0.462 . . . . 73.140000000000001 110.942 -179.968 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 16' ' ' LYS . . . . . 0.443 ' HB3' ' HB1' ' A' ' 48' ' ' ALA . 16.0 ptmt -77.02 -28.04 54.81 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.247 -0.433 . . . . 62.439999999999998 110.939 179.909 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 8.0 ttmm -69.83 -51.81 30.38 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.166 -0.47 . . . . 74.329999999999998 110.953 179.81 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 12.0 mt -54.81 -35.94 64.42 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.227 -0.442 . . . . 71.040000000000006 110.972 179.885 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -66.77 -23.37 66.07 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.19 -0.459 . . . . 63.32 111.082 179.8 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 2.1 tp10 -73.02 -49.37 29.21 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.225 -0.443 . . . . 72.239999999999995 110.952 179.998 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 21.3 mt-10 -72.3 -51.0 22.79 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.1 -0.5 . . . . 74.109999999999999 110.925 -179.945 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -54.67 -30.6 55.93 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.142 -0.481 . . . . 52.32 111.132 179.93 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -71.04 -54.33 11.54 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.239 -0.437 . . . . 61.409999999999997 111.094 179.87 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 6.3 ptmt -63.48 -34.29 77.45 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.232 -0.44 . . . . 75.439999999999998 110.859 -179.972 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 6.0 mt -76.75 -39.11 52.83 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.238 -0.437 . . . . 74.230000000000004 110.88 179.939 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 2.2 mt -50.75 -49.9 56.91 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.254 -0.43 . . . . 75.120000000000005 110.927 179.842 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -90.63 12.2 19.68 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.178 -0.465 . . . . 74.049999999999997 110.922 179.9 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . -58.89 -14.72 24.77 Favored Glycine 0 N--CA 1.451 -0.307 0 C-N-CA 120.738 -0.744 . . . . 74.439999999999998 112.501 -179.954 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . 140.07 48.24 0.06 OUTLIER Glycine 0 N--CA 1.451 -0.344 0 C-N-CA 120.72 -0.752 . . . . 42.229999999999997 112.462 -179.92 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . -79.59 -43.28 10.4 Favored Glycine 0 N--CA 1.451 -0.316 0 C-N-CA 120.767 -0.73 . . . . 54.25 112.485 -179.919 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . 98.52 127.97 5.99 Favored Glycine 0 N--CA 1.452 -0.267 0 C-N-CA 120.703 -0.761 . . . . 55.399999999999999 112.461 -179.902 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . 153.57 -129.9 2.81 Favored Glycine 0 N--CA 1.452 -0.293 0 C-N-CA 120.756 -0.735 . . . . 34.119999999999997 112.486 -179.979 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . 167.94 72.3 0.03 OUTLIER Glycine 0 N--CA 1.45 -0.39 0 C-N-CA 120.676 -0.773 . . . . 63.450000000000003 112.491 -179.919 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . -120.54 89.49 0.45 Allowed Glycine 0 N--CA 1.452 -0.267 0 C-N-CA 120.74 -0.743 . . . . 72.109999999999999 112.493 -179.892 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . -52.59 -81.72 0.05 OUTLIER Glycine 0 N--CA 1.452 -0.29 0 C-N-CA 120.681 -0.771 . . . . 64.299999999999997 112.498 -179.923 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 28.2 tt0 -63.11 -21.49 66.22 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.857 0.361 . . . . 72.209999999999994 110.896 -179.882 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 16.1 tp -50.9 -36.14 36.66 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.128 -0.487 . . . . 71.25 110.911 179.952 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 38' ' ' MET . . . . . . . . . . . . . 1.0 OUTLIER -72.65 -35.02 67.65 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.219 -0.446 . . . . 71.450000000000003 110.827 179.889 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 2.2 tttt -58.5 -28.0 65.0 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.189 -0.46 . . . . 74.120000000000005 110.909 179.96 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 40' ' ' LEU . . . . . 0.549 HD13 ' CB ' ' B' ' 51' ' ' LEU . 2.8 mt -59.95 -61.14 2.83 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.234 -0.439 . . . . 51.229999999999997 110.9 179.913 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 41' ' ' CYS . . . . . . . . . . . . . 28.1 p -69.06 -31.3 69.97 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.198 -0.456 . . . . 64.200000000000003 110.843 179.974 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 11.2 tt0 -55.93 -25.48 43.41 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.236 -0.438 . . . . 73.420000000000002 110.891 -179.874 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 2.5 mm-40 -54.54 -29.3 50.44 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.182 -0.463 . . . . 75.120000000000005 110.877 -179.906 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -51.75 -43.79 63.08 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.164 -0.471 . . . . 71.439999999999998 111.134 179.927 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -75.09 -23.1 57.94 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.205 -0.452 . . . . 72.329999999999998 111.094 179.898 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -77.02 -50.36 13.29 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.256 -0.429 . . . . 74.409999999999997 110.974 179.924 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 9.4 mmtm -69.36 -46.86 65.96 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.18 -0.464 . . . . 41.539999999999999 110.874 179.869 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 48' ' ' ALA . . . . . 0.443 ' HB1' ' HB3' ' A' ' 16' ' ' LYS . . . -51.97 -47.11 64.98 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.258 -0.428 . . . . 73.450000000000003 111.186 179.755 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -77.14 -32.46 56.38 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.119 -0.491 . . . . 73.409999999999997 110.902 -179.932 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 1.1 mm-40 -62.69 -51.12 68.44 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.176 -0.466 . . . . 75.109999999999999 110.944 -179.98 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 51' ' ' LEU . . . . . 0.525 ' HA ' HD13 ' B' ' 40' ' ' LEU . 3.9 pp -72.2 -39.88 68.28 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.143 -0.48 . . . . 72.319999999999993 110.968 179.993 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 52' ' ' PHE . . . . . 0.452 ' N ' HD12 ' A' ' 51' ' ' LEU . 76.6 t80 -62.49 -24.14 67.31 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.18 -0.464 . . . . 72.409999999999997 110.893 179.96 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 2.0 tptm -63.8 -59.38 4.63 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.162 -0.472 . . . . 74.340000000000003 110.853 179.942 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 54' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -75.73 -32.72 60.15 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.242 -0.436 . . . . 74.450000000000003 110.882 179.956 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -52.78 -41.08 63.78 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.202 -0.454 . . . . 70.349999999999994 111.053 179.795 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 8.8 pt-20 -54.72 -26.75 35.86 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.238 -0.437 . . . . 75.340000000000003 110.869 -179.871 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 6.0 tt0 -66.25 -55.36 16.5 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.132 -0.485 . . . . 70.140000000000001 110.966 -179.992 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -78.21 -14.27 59.52 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.11 -0.496 . . . . 73.400000000000006 110.871 -179.917 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 59' ' ' LEU . . . . . 0.645 HD13 ' HB2' ' A' ' 9' ' ' ALA . 68.0 mt -87.31 -66.33 0.92 Allowed 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.239 -0.437 . . . . 72.430000000000007 110.979 179.976 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -124.45 -81.2 0.63 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.165 -0.47 . . . . 74.209999999999994 110.973 179.772 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER 177.03 -57.56 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.239 -0.437 . . . . 72.439999999999998 110.89 179.822 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 C--N 1.328 -0.36 0 CA-C-N 116.235 -0.439 . . . . 73.430000000000007 110.933 179.949 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 1' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.232 0.158 0 CA-C-O 120.811 0.339 . . . . 75.129999999999995 110.919 . . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 2' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -164.93 152.21 11.11 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.232 -0.44 . . . . 64.420000000000002 110.921 179.953 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B ' 3' ' ' LYS . . . . . . . . . . . . . 9.5 mttt -179.27 -38.29 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.254 -0.43 . . . . 74.510000000000005 110.933 179.86 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 4' ' ' LEU . . . . . . . . . . . . . 4.5 mm? -90.16 -36.18 14.96 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.31 -0.405 . . . . 74.439999999999998 110.995 179.838 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 5' ' ' ARG . . . . . . . . . . . . . 3.6 mtt-85 -68.84 -38.69 80.0 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.138 -0.483 . . . . 73.420000000000002 110.879 179.9 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 6' ' ' GLU . . . . . 0.404 ' O ' ' HB3' ' B' ' 9' ' ' ALA . 0.3 OUTLIER -53.88 -32.37 53.0 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.239 -0.437 . . . . 73.310000000000002 110.874 -179.918 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' B' B ' 7' ' ' GLU . . . . . . . . . . . . . 45.8 mm-40 -54.73 -42.78 71.97 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.141 -0.482 . . . . 74.200000000000003 110.867 -179.938 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 8' ' ' ALA . . . . . . . . . . . . . . . -70.41 -26.95 63.92 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.098 -0.501 . . . . 65.230000000000004 111.049 -179.996 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 9' ' ' ALA . . . . . 0.642 ' HB2' HD13 ' B' ' 59' ' ' LEU . . . -57.8 -47.37 82.79 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.181 -0.463 . . . . 74.019999999999996 111.041 179.976 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B ' 10' ' ' LYS . . . . . . . . . . . . . 21.1 mtpt -55.88 -37.32 68.68 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.267 -0.424 . . . . 72.030000000000001 110.929 179.958 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 11' ' ' LEU . . . . . . . . . . . . . 47.2 mt -51.8 -42.63 62.63 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.179 -0.464 . . . . 72.049999999999997 110.933 179.952 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 12' ' ' PHE . . . . . . . . . . . . . 23.2 m-85 -74.22 -25.61 59.77 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.19 -0.459 . . . . 72.420000000000002 110.9 179.897 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 13' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -53.87 -31.85 51.17 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.179 -0.464 . . . . 74.319999999999993 110.925 -179.931 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B ' 14' ' ' GLU . . . . . 0.457 ' O ' HD12 ' B' ' 18' ' ' LEU . 7.0 mt-10 -67.19 -31.44 71.83 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.122 -0.49 . . . . 72.329999999999998 110.862 -179.93 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B ' 15' ' ' TRP . . . . . 0.461 ' CD1' ' HB1' ' B' ' 44' ' ' ALA . 4.0 t90 -67.63 -47.0 70.86 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.141 -0.481 . . . . 73.430000000000007 110.942 -179.938 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B ' 16' ' ' LYS . . . . . . . . . . . . . 16.1 ptmt -77.39 -30.02 53.46 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.181 -0.463 . . . . 74.409999999999997 110.845 179.964 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 17' ' ' LYS . . . . . . . . . . . . . 8.2 ttmm -74.36 -54.93 6.63 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.22 -0.445 . . . . 74.340000000000003 110.979 179.819 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 18' ' ' LEU . . . . . 0.457 HD12 ' O ' ' B' ' 14' ' ' GLU . 18.4 mt -54.65 -36.57 64.7 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.224 -0.444 . . . . 65.109999999999999 110.897 179.921 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B ' 19' ' ' ALA . . . . . . . . . . . . . . . -67.02 -26.86 66.99 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.174 -0.466 . . . . 63.210000000000001 111.085 179.812 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 20' ' ' GLU . . . . . . . . . . . . . 2.1 tp10 -73.47 -49.47 26.64 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.29 -0.414 . . . . 63.140000000000001 110.902 -179.97 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 21' ' ' GLU . . . . . . . . . . . . . 21.3 mt-10 -72.64 -51.13 20.8 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.161 -0.472 . . . . 74.319999999999993 110.873 -179.886 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 22' ' ' ALA . . . . . . . . . . . . . . . -54.17 -30.79 50.71 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.141 -0.482 . . . . 53.219999999999999 111.106 179.914 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 23' ' ' ALA . . . . . . . . . . . . . . . -70.96 -54.39 11.49 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.161 -0.472 . . . . 64.420000000000002 111.128 179.949 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 24' ' ' LYS . . . . . . . . . . . . . 6.3 ptmt -63.64 -34.14 77.17 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.178 -0.465 . . . . 75.030000000000001 110.96 179.938 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 25' ' ' LEU . . . . . . . . . . . . . 5.7 mt -76.56 -39.67 52.07 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.229 -0.441 . . . . 50.219999999999999 110.903 179.933 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 26' ' ' LEU . . . . . 0.687 HD13 ' CE ' ' B' ' 38' ' ' MET . 2.1 mt -50.65 -49.91 55.88 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.222 -0.444 . . . . 72.040000000000006 110.929 179.874 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B ' 27' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -90.86 12.32 19.78 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.181 -0.463 . . . . 73.129999999999995 110.865 179.91 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B ' 28' ' ' GLY . . . . . . . . . . . . . . . -58.82 -15.09 25.89 Favored Glycine 0 N--CA 1.451 -0.309 0 C-N-CA 120.746 -0.74 . . . . 63.399999999999999 112.469 -179.976 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 29' ' ' GLY . . . . . . . . . . . . . . . 136.59 46.08 0.08 OUTLIER Glycine 0 N--CA 1.452 -0.28 0 C-N-CA 120.777 -0.725 . . . . 61.149999999999999 112.476 -179.892 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 30' ' ' GLY . . . . . . . . . . . . . . . -83.25 -42.82 7.78 Favored Glycine 0 N--CA 1.452 -0.271 0 C-N-CA 120.75 -0.738 . . . . 42.509999999999998 112.43 -179.905 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 31' ' ' GLY . . . . . . . . . . . . . . . 97.99 123.78 4.81 Favored Glycine 0 N--CA 1.452 -0.284 0 C-N-CA 120.766 -0.731 . . . . 75.239999999999995 112.529 -179.859 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 32' ' ' GLY . . . . . . . . . . . . . . . 147.08 -110.97 0.54 Allowed Glycine 0 N--CA 1.452 -0.27 0 C-N-CA 120.7 -0.762 . . . . 65.209999999999994 112.46 -179.898 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 33' ' ' GLY . . . . . . . . . . . . . . . -166.22 97.22 0.14 Allowed Glycine 0 N--CA 1.451 -0.359 0 C-N-CA 120.704 -0.76 . . . . 53.049999999999997 112.498 -179.886 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 34' ' ' GLY . . . . . . . . . . . . . . . -90.27 44.97 2.96 Favored Glycine 0 N--CA 1.452 -0.273 0 C-N-CA 120.726 -0.749 . . . . 74.349999999999994 112.523 -179.907 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 35' ' ' GLY . . . . . . . . . . . . . . . -79.18 -102.91 0.23 Allowed Glycine 0 N--CA 1.451 -0.337 0 C-N-CA 120.712 -0.756 . . . . 70.349999999999994 112.468 -179.845 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 36' ' ' GLU . . . . . . . . . . . . . 30.4 tt0 -75.73 -24.42 56.14 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 120.901 0.381 . . . . 63.210000000000001 110.896 -179.882 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 37' ' ' LEU . . . . . . . . . . . . . 14.6 tp -59.71 -36.67 77.01 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.092 -0.503 . . . . 74.209999999999994 110.921 -179.982 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 38' ' ' MET . . . . . 0.687 ' CE ' HD13 ' B' ' 26' ' ' LEU . 1.3 ttm -68.34 -30.0 68.87 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.141 -0.481 . . . . 72.140000000000001 110.866 179.857 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B ' 39' ' ' LYS . . . . . . . . . . . . . 2.4 tttt -54.34 -29.33 47.71 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.285 -0.416 . . . . 75.319999999999993 110.916 179.926 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 40' ' ' LEU . . . . . 0.525 HD13 ' HA ' ' A' ' 51' ' ' LEU . 2.5 mt -62.08 -60.97 2.83 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.189 -0.46 . . . . 71.519999999999996 110.91 179.93 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B ' 41' ' ' CYS . . . . . . . . . . . . . 28.7 p -69.35 -29.36 67.15 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.198 -0.456 . . . . 73.25 110.869 179.917 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 42' ' ' GLU . . . . . . . . . . . . . 11.3 tt0 -56.15 -25.83 47.99 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.18 -0.463 . . . . 52.340000000000003 110.807 -179.797 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 43' ' ' GLU . . . . . . . . . . . . . 2.5 mm-40 -54.81 -28.99 53.5 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.193 -0.458 . . . . 62.32 110.842 -179.862 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 44' ' ' ALA . . . . . 0.461 ' HB1' ' CD1' ' B' ' 15' ' ' TRP . . . -51.85 -45.73 64.14 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.143 -0.48 . . . . 62.350000000000001 111.098 179.909 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B ' 45' ' ' ALA . . . . . . . . . . . . . . . -75.13 -22.9 57.87 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.209 -0.451 . . . . 65.0 111.104 179.955 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 46' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -75.33 -49.54 18.81 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.229 -0.441 . . . . 74.319999999999993 110.905 179.946 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B ' 47' ' ' LYS . . . . . . . . . . . . . 9.4 mmtm -72.67 -46.33 54.37 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.235 -0.438 . . . . 64.510000000000005 110.912 179.858 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 48' ' ' ALA . . . . . . . . . . . . . . . -51.96 -46.18 64.67 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.233 -0.44 . . . . 71.219999999999999 111.08 179.839 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 49' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -75.88 -29.7 58.58 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.194 -0.457 . . . . 75.219999999999999 110.857 -179.933 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B ' 50' ' ' GLU . . . . . . . . . . . . . 1.1 mm-40 -63.25 -51.24 67.0 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.196 -0.456 . . . . 62.130000000000003 110.883 -179.895 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 51' ' ' LEU . . . . . 0.549 ' CB ' HD13 ' A' ' 40' ' ' LEU . 3.8 pp -73.27 -38.97 65.76 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.154 -0.475 . . . . 53.520000000000003 110.89 -179.967 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B ' 52' ' ' PHE . . . . . 0.437 ' N ' HD12 ' B' ' 51' ' ' LEU . 75.8 t80 -62.95 -24.06 67.69 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.977 0.418 . . . . 72.519999999999996 110.893 179.923 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B ' 53' ' ' LYS . . . . . . . . . . . . . 2.0 tptm -62.24 -59.17 5.42 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.155 -0.475 . . . . 72.099999999999994 110.896 179.915 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 54' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -75.26 -37.55 60.9 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.225 -0.443 . . . . 74.430000000000007 110.928 179.933 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B ' 55' ' ' ALA . . . . . . . . . . . . . . . -56.97 -38.93 73.68 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.192 -0.458 . . . . 64.140000000000001 111.038 179.828 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 56' ' ' GLU . . . . . 0.653 ' CD ' HD23 ' B' ' 62' ' ' LEU . 16.3 tt0 -56.82 -24.88 54.16 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.229 -0.441 . . . . 61.299999999999997 110.912 -179.934 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B ' 57' ' ' GLU . . . . . . . . . . . . . 6.4 tt0 -66.83 -54.32 23.66 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.109 -0.496 . . . . 71.310000000000002 110.904 -179.969 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 58' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -77.29 -18.5 57.48 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.135 -0.484 . . . . 75.340000000000003 110.842 -179.897 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B ' 59' ' ' LEU . . . . . 0.642 HD13 ' HB2' ' B' ' 9' ' ' ALA . 62.7 mt -82.41 -50.98 8.28 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.266 -0.425 . . . . 54.409999999999997 110.905 -179.987 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B ' 60' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -110.18 -65.8 1.12 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.136 -0.484 . . . . 74.129999999999995 110.885 179.839 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B ' 61' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -179.56 -69.21 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.279 -0.419 . . . . 63.549999999999997 110.916 179.859 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B ' 62' ' ' LEU . . . . . 0.653 HD23 ' CD ' ' B' ' 56' ' ' GLU . 0.2 OUTLIER . . . . . 0 C--N 1.329 -0.316 0 CA-C-N 116.195 -0.457 . . . . 73.439999999999998 110.885 179.929 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 C--O 1.231 0.114 0 CA-C-O 120.931 0.396 . . . . 72.219999999999999 110.834 . . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -143.52 -70.37 0.31 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.225 -0.443 . . . . 73.430000000000007 110.943 179.836 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 4' ' ' LEU . . . . . 0.444 HD23 ' H ' ' A' ' 4' ' ' LEU . 1.6 pt? -135.77 8.15 3.28 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.212 -0.449 . . . . 64.25 110.901 179.905 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -72.01 -33.97 68.49 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.18 -0.464 . . . . 74.25 110.901 179.967 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 18.0 pt-20 -55.25 -26.02 37.17 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.18 -0.463 . . . . 73.209999999999994 110.877 -179.948 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 2.0 pp20? -53.47 -31.5 46.0 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.096 -0.502 . . . . 71.129999999999995 110.931 -179.888 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -72.45 -28.42 62.92 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.127 -0.488 . . . . 71.25 111.049 179.897 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 9' ' ' ALA . . . . . 0.619 ' HB1' ' CE1' ' A' ' 52' ' ' PHE . . . -71.57 -41.57 68.86 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.324 -0.398 . . . . 63.43 111.102 179.923 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -58.08 -35.68 71.73 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.232 -0.44 . . . . 64.310000000000002 110.891 179.962 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 11' ' ' LEU . . . . . 0.431 HD12 ' CD2' ' B' ' 26' ' ' LEU . 41.6 mt -51.97 -44.11 63.85 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.199 -0.455 . . . . 73.340000000000003 110.901 179.945 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 22.4 m-85 -74.03 -22.14 59.68 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.208 -0.451 . . . . 64.340000000000003 110.854 179.913 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 5.1 tt0 -61.61 -41.26 97.21 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.157 -0.474 . . . . 63.530000000000001 110.88 -179.936 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 14' ' ' GLU . . . . . 0.407 ' O ' HD12 ' A' ' 18' ' ' LEU . 4.6 mt-10 -75.51 -30.46 59.81 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.109 -0.496 . . . . 72.200000000000003 110.934 -179.918 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 15' ' ' TRP . . . . . 0.424 ' HZ2' ' HB3' ' B' ' 22' ' ' ALA . 21.3 m0 -54.01 -56.11 21.02 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.105 -0.498 . . . . 74.319999999999993 110.9 -179.973 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 16' ' ' LYS . . . . . 0.575 ' HB3' ' HB3' ' A' ' 48' ' ' ALA . 8.3 ptmt -68.47 -41.36 80.28 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.3 -0.409 . . . . 52.439999999999998 110.94 179.918 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -54.95 -52.07 64.17 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.215 -0.448 . . . . 50.119999999999997 110.87 179.874 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 18' ' ' LEU . . . . . 0.407 HD12 ' O ' ' A' ' 14' ' ' GLU . 5.6 mt -59.99 -35.13 74.35 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.266 -0.425 . . . . 73.439999999999998 110.953 179.937 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 19' ' ' ALA . . . . . 0.432 ' HB3' ' HB2' ' A' ' 45' ' ' ALA . . . -73.15 -30.24 63.44 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.136 -0.484 . . . . 74.519999999999996 111.055 179.82 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 1.4 mm-40 -58.1 -49.48 76.8 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.211 -0.45 . . . . 53.32 110.896 -179.899 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 1.3 mm-40 -74.23 -48.54 28.12 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.165 -0.471 . . . . 62.32 110.823 -179.898 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 22' ' ' ALA . . . . . 0.458 ' HB3' ' HZ2' ' B' ' 15' ' ' TRP . . . -56.71 -30.58 63.64 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.178 -0.464 . . . . 75.530000000000001 111.136 179.93 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -70.77 -54.41 11.79 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.217 -0.447 . . . . 74.010000000000005 111.086 179.978 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 4.2 ptmt -62.49 -35.55 79.7 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.228 -0.442 . . . . 74.150000000000006 110.861 -179.988 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 25' ' ' LEU . . . . . 0.407 HD23 ' HA ' ' A' ' 25' ' ' LEU . 7.2 mt -76.89 -36.71 56.5 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.206 -0.452 . . . . 65.409999999999997 110.834 179.988 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 26' ' ' LEU . . . . . 0.724 HD23 ' HB1' ' B' ' 8' ' ' ALA . 0.8 OUTLIER -50.24 -55.32 15.79 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.258 -0.428 . . . . 60.340000000000003 110.85 179.946 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 1.6 pt-20 -82.15 -7.82 59.63 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.273 -0.421 . . . . 72.209999999999994 110.82 -179.997 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . 54.74 24.38 32.78 Favored Glycine 0 N--CA 1.452 -0.281 0 C-N-CA 120.735 -0.745 . . . . 61.030000000000001 112.461 179.966 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . 94.32 12.59 55.94 Favored Glycine 0 N--CA 1.45 -0.407 0 C-N-CA 120.726 -0.75 . . . . 64.140000000000001 112.522 -179.884 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . -137.54 -116.11 1.45 Allowed Glycine 0 N--CA 1.451 -0.326 0 C-N-CA 120.796 -0.716 . . . . 63.119999999999997 112.524 -179.956 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . 76.62 116.48 0.14 Allowed Glycine 0 N--CA 1.452 -0.285 0 C-N-CA 120.73 -0.748 . . . . 72.140000000000001 112.483 -179.897 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . 51.87 48.48 51.11 Favored Glycine 0 N--CA 1.452 -0.291 0 C-N-CA 120.807 -0.711 . . . . 72.540000000000006 112.458 -179.916 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . 79.37 -57.51 4.42 Favored Glycine 0 N--CA 1.451 -0.335 0 C-N-CA 120.739 -0.743 . . . . 75.299999999999997 112.423 -179.955 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . -123.43 -53.52 0.2 Allowed Glycine 0 N--CA 1.451 -0.365 0 C-N-CA 120.778 -0.725 . . . . 64.420000000000002 112.467 -179.894 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 168.95 34.56 0.02 OUTLIER Glycine 0 N--CA 1.452 -0.281 0 C-N-CA 120.683 -0.77 . . . . 54.0 112.458 -179.834 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 26.2 tt0 -76.66 -27.96 55.81 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 120.848 0.356 . . . . 63.439999999999998 110.892 -179.88 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 3.4 mt -77.22 -59.04 2.94 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.179 -0.464 . . . . 63.439999999999998 110.918 179.992 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 38' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -55.07 -26.82 40.34 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.169 -0.469 . . . . 75.319999999999993 110.921 179.793 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -57.11 -28.16 62.43 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.191 -0.458 . . . . 74.230000000000004 110.906 179.923 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 3.3 mt -74.37 -43.53 56.1 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 116.223 -0.444 . . . . 71.209999999999994 110.889 179.923 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 41' ' ' CYS . . . . . . . . . . . . . 17.9 m -75.02 -27.96 60.29 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.224 -0.444 . . . . 71.540000000000006 110.884 179.917 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 70.5 tt0 -55.57 -25.51 38.43 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.15 -0.477 . . . . 62.210000000000001 110.934 -179.877 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 3.7 mm-40 -54.58 -28.6 47.26 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.122 -0.49 . . . . 75.200000000000003 110.872 -179.972 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -52.03 -44.93 64.44 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.187 -0.46 . . . . 70.010000000000005 111.113 179.908 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 45' ' ' ALA . . . . . 0.432 ' HB2' ' HB3' ' A' ' 19' ' ' ALA . . . -75.25 -24.64 57.67 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.239 -0.437 . . . . 73.030000000000001 111.114 179.914 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -73.94 -48.44 30.56 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.228 -0.442 . . . . 75.510000000000005 110.892 179.996 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 4.8 mttm -57.26 -36.76 71.37 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.159 -0.473 . . . . 72.219999999999999 110.9 179.909 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 48' ' ' ALA . . . . . 0.575 ' HB3' ' HB3' ' A' ' 16' ' ' LYS . . . -58.44 -36.73 74.11 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.207 -0.451 . . . . 72.430000000000007 111.129 179.794 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 17.2 tt0 -76.88 -36.19 56.91 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.31 -0.404 . . . . 73.200000000000003 110.901 -179.985 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 1.8 mm-40 -69.44 -45.28 69.51 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.097 -0.501 . . . . 75.049999999999997 110.901 -179.885 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 51' ' ' LEU . . . . . 0.487 HD13 ' HB3' ' B' ' 41' ' ' CYS . 4.5 pp -72.39 -23.73 61.15 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.18 -0.464 . . . . 73.019999999999996 110.945 179.95 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 52' ' ' PHE . . . . . 0.619 ' CE1' ' HB1' ' A' ' 9' ' ' ALA . 90.1 t80 -56.44 -23.93 41.97 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.235 -0.438 . . . . 75.209999999999994 110.869 179.945 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -52.2 -42.82 63.82 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.174 -0.467 . . . . 63.520000000000003 110.904 179.926 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 54' ' ' LEU . . . . . . . . . . . . . 62.5 mt -64.17 -29.03 70.17 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.199 -0.455 . . . . 75.239999999999995 110.854 179.983 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 55' ' ' ALA . . . . . 0.534 ' HB1' ' HB2' ' A' ' 9' ' ' ALA . . . -55.39 -29.12 57.89 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.239 -0.437 . . . . 34.109999999999999 111.102 179.786 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 3.9 mt-10 -77.66 -24.74 49.34 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.255 -0.43 . . . . 75.549999999999997 110.846 -179.861 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 25.8 mm-40 -63.28 -47.63 81.54 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.179 -0.464 . . . . 72.430000000000007 110.812 -179.924 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 58' ' ' ARG . . . . . 0.4 ' HD2' ' HA ' ' A' ' 55' ' ' ALA . 0.0 OUTLIER -79.05 -22.19 45.72 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.173 -0.467 . . . . 72.420000000000002 110.877 -179.892 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 59' ' ' LEU . . . . . . . . . . . . . 2.0 tt -84.15 -69.02 0.67 Allowed 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.236 -0.438 . . . . 74.239999999999995 110.926 -179.998 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -112.73 -175.98 2.8 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.172 -0.467 . . . . 74.120000000000005 110.936 179.827 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 1.9 pttt -91.35 -31.04 16.22 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.289 -0.414 . . . . 75.140000000000001 110.902 179.862 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER . . . . . 0 C--N 1.328 -0.343 0 CA-C-N 116.228 -0.442 . . . . 71.129999999999995 110.905 179.92 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 1' ' ' MET . . . . . . . . . . . . . 4.1 mtt . . . . . 0 C--O 1.231 0.122 0 CA-C-O 120.83 0.348 . . . . 63.32 110.911 . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild core ' B' B ' 2' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -123.18 143.47 50.0 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.199 -0.455 . . . . 70.019999999999996 110.943 179.922 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' B' B ' 3' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -142.45 -70.84 0.33 Allowed 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.231 -0.441 . . . . 71.310000000000002 110.917 179.84 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' B' B ' 4' ' ' LEU . . . . . 0.449 ' H ' HD23 ' B' ' 4' ' ' LEU . 1.7 pt? -134.82 7.38 3.48 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.294 -0.412 . . . . 65.530000000000001 110.907 179.909 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' B' B ' 5' ' ' ARG . . . . . . . . . . . . . 2.5 mtt-85 -70.45 -31.93 69.3 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.175 -0.466 . . . . 74.530000000000001 110.896 179.959 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 6' ' ' GLU . . . . . . . . . . . . . 19.9 pt-20 -51.8 -26.62 10.13 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.125 -0.488 . . . . 65.540000000000006 110.892 -179.936 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 7' ' ' GLU . . . . . . . . . . . . . 2.5 pp20? -53.14 -33.37 52.12 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.162 -0.472 . . . . 61.409999999999997 110.853 -179.936 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 8' ' ' ALA . . . . . 0.724 ' HB1' HD23 ' A' ' 26' ' ' LEU . . . -76.7 -26.92 55.23 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.149 -0.478 . . . . 72.420000000000002 111.144 179.902 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' B' B ' 9' ' ' ALA . . . . . 0.985 ' HB2' HD13 ' B' ' 59' ' ' LEU . . . -60.69 -44.23 96.77 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.224 -0.444 . . . . 73.099999999999994 111.096 179.911 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' B' B ' 10' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -55.64 -37.03 67.66 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.238 -0.437 . . . . 72.420000000000002 110.909 179.986 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' B' B ' 11' ' ' LEU . . . . . 0.466 HD12 ' HG ' ' A' ' 26' ' ' LEU . 25.4 mt -52.75 -42.83 65.32 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.181 -0.463 . . . . 73.340000000000003 110.867 179.925 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' B' B ' 12' ' ' PHE . . . . . 0.418 ' CE1' HD11 ' A' ' 26' ' ' LEU . 24.5 m-85 -71.99 -23.53 61.43 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.232 -0.44 . . . . 72.239999999999995 110.916 179.952 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' B' B ' 13' ' ' GLU . . . . . . . . . . . . . 5.1 tt0 -60.93 -40.38 93.02 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.104 -0.498 . . . . 62.439999999999998 110.882 -179.958 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 14' ' ' GLU . . . . . . . . . . . . . 4.6 mt-10 -75.62 -31.49 59.91 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.139 -0.482 . . . . 62.310000000000002 110.928 -179.927 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 15' ' ' TRP . . . . . 0.458 ' HZ2' ' HB3' ' A' ' 22' ' ' ALA . 18.1 m0 -54.0 -56.06 21.41 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.082 -0.508 . . . . 74.030000000000001 110.871 -179.897 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' B' B ' 16' ' ' LYS . . . . . . . . . . . . . 8.3 ptmt -67.71 -39.75 84.33 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.307 -0.406 . . . . 70.109999999999999 110.93 179.885 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 17' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -56.54 -50.55 71.53 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.244 -0.435 . . . . 73.319999999999993 110.838 179.933 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' B' B ' 18' ' ' LEU . . . . . . . . . . . . . 5.4 mt -56.09 -38.28 70.5 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.249 -0.432 . . . . 72.129999999999995 110.945 179.894 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 19' ' ' ALA . . . . . 0.652 ' CB ' ' HB2' ' B' ' 45' ' ' ALA . . . -73.1 -32.33 64.9 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.256 -0.429 . . . . 53.039999999999999 111.118 179.755 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' B' B ' 20' ' ' GLU . . . . . . . . . . . . . 1.4 mm-40 -58.12 -49.31 77.42 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.223 -0.444 . . . . 73.319999999999993 110.883 -179.968 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 21' ' ' GLU . . . . . . . . . . . . . 1.3 mm-40 -74.23 -48.64 27.53 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.122 -0.49 . . . . 63.219999999999999 110.853 -179.851 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 22' ' ' ALA . . . . . 0.429 ' O ' HD12 ' B' ' 26' ' ' LEU . . . -56.57 -30.94 63.73 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.173 -0.467 . . . . 73.310000000000002 111.153 179.872 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' B' B ' 23' ' ' ALA . . . . . . . . . . . . . . . -71.19 -54.44 10.98 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.161 -0.472 . . . . 73.549999999999997 111.043 179.978 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 24' ' ' LYS . . . . . . . . . . . . . 4.3 ptmt -62.17 -35.42 78.77 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.258 -0.428 . . . . 42.329999999999998 110.869 -179.989 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 25' ' ' LEU . . . . . 0.421 HD23 ' HA ' ' B' ' 25' ' ' LEU . 6.9 mt -76.82 -38.15 54.42 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.267 -0.424 . . . . 74.409999999999997 110.912 179.965 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' B' B ' 26' ' ' LEU . . . . . 0.483 HD13 ' HG3' ' B' ' 38' ' ' MET . 1.0 OUTLIER -50.18 -51.61 42.42 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.231 -0.44 . . . . 72.510000000000005 110.886 179.845 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' B' B ' 27' ' ' GLU . . . . . . . . . . . . . 1.6 pt-20 -81.31 -13.94 57.87 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.241 -0.436 . . . . 73.230000000000004 110.867 179.951 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 28' ' ' GLY . . . . . . . . . . . . . . . 53.14 26.15 27.3 Favored Glycine 0 N--CA 1.45 -0.376 0 C-N-CA 120.789 -0.72 . . . . 62.340000000000003 112.44 179.998 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 29' ' ' GLY . . . . . . . . . . . . . . . 92.23 42.24 4.67 Favored Glycine 0 N--CA 1.452 -0.288 0 C-N-CA 120.71 -0.757 . . . . 62.149999999999999 112.429 -179.978 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 30' ' ' GLY . . . . . . . . . . . . . . . -105.84 -110.4 3.49 Favored Glycine 0 N--CA 1.452 -0.281 0 C-N-CA 120.688 -0.767 . . . . 44.140000000000001 112.457 -179.904 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 31' ' ' GLY . . . . . . . . . . . . . . . 89.08 131.86 4.25 Favored Glycine 0 N--CA 1.452 -0.291 0 C-N-CA 120.76 -0.733 . . . . 53.109999999999999 112.44 -179.891 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 32' ' ' GLY . . . . . . . . . . . . . . . 63.19 76.37 0.28 Allowed Glycine 0 N--CA 1.452 -0.276 0 C-N-CA 120.705 -0.76 . . . . 72.420000000000002 112.453 -179.96 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 33' ' ' GLY . . . . . . . . . . . . . . . 99.74 -35.23 4.88 Favored Glycine 0 N--CA 1.451 -0.347 0 C-N-CA 120.773 -0.727 . . . . 63.530000000000001 112.56 -179.934 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 34' ' ' GLY . . . . . . . . . . . . . . . -105.98 -18.97 10.62 Favored Glycine 0 N--CA 1.451 -0.308 0 C-N-CA 120.738 -0.744 . . . . 61.130000000000003 112.436 -179.923 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 35' ' ' GLY . . . . . . . . . . . . . . . -160.22 25.41 0.3 Allowed Glycine 0 N--CA 1.451 -0.33 0 C-N-CA 120.662 -0.78 . . . . 73.420000000000002 112.434 -179.923 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 36' ' ' GLU . . . . . . . . . . . . . 21.4 tt0 -76.15 -21.46 56.55 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 120.872 0.368 . . . . 75.140000000000001 110.9 -179.895 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 37' ' ' LEU . . . . . . . . . . . . . 1.6 mt -71.45 -51.57 23.12 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.137 -0.483 . . . . 64.349999999999994 110.944 179.932 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 38' ' ' MET . . . . . 0.483 ' HG3' HD13 ' B' ' 26' ' ' LEU . 0.0 OUTLIER -54.97 -24.6 24.78 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.19 -0.459 . . . . 74.329999999999998 110.839 179.848 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' B' B ' 39' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -53.42 -28.81 31.85 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.273 -0.421 . . . . 71.239999999999995 110.882 179.982 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' B' B ' 40' ' ' LEU . . . . . . . . . . . . . 3.3 mt -74.08 -35.53 64.23 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.182 -0.463 . . . . 71.010000000000005 110.842 -179.994 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 41' ' ' CYS . . . . . 0.487 ' HB3' HD13 ' A' ' 51' ' ' LEU . 16.4 m -75.2 -33.6 61.43 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.212 -0.449 . . . . 61.210000000000001 110.832 -179.984 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' B' B ' 42' ' ' GLU . . . . . . . . . . . . . 70.5 tt0 -55.52 -25.94 40.25 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.24 -0.436 . . . . 65.25 110.871 -179.896 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 43' ' ' GLU . . . . . . . . . . . . . 3.8 mm-40 -54.96 -25.64 31.02 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.192 -0.458 . . . . 72.209999999999994 110.866 -179.938 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 44' ' ' ALA . . . . . . . . . . . . . . . -51.87 -43.66 63.38 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.146 -0.479 . . . . 55.340000000000003 111.119 179.971 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 45' ' ' ALA . . . . . 0.652 ' HB2' ' CB ' ' B' ' 19' ' ' ALA . . . -75.09 -22.89 57.99 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.263 -0.426 . . . . 64.430000000000007 111.055 179.95 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' B' B ' 46' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -70.19 -47.19 62.59 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.231 -0.441 . . . . 72.310000000000002 110.905 179.941 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' B' B ' 47' ' ' LYS . . . . . . . . . . . . . 4.8 mttm -58.28 -37.31 74.74 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.227 -0.442 . . . . 62.020000000000003 110.911 179.912 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 48' ' ' ALA . . . . . . . . . . . . . . . -56.53 -34.16 66.76 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.229 -0.442 . . . . 50.32 111.107 179.796 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 49' ' ' GLU . . . . . . . . . . . . . 17.2 tt0 -76.36 -31.33 58.0 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.167 -0.469 . . . . 71.209999999999994 110.897 -179.948 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 50' ' ' GLU . . . . . . . . . . . . . 1.8 mm-40 -65.56 -46.46 79.4 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.188 -0.46 . . . . 73.329999999999998 110.955 -179.968 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 51' ' ' LEU . . . . . 0.528 HD12 ' N ' ' B' ' 52' ' ' PHE . 4.6 pp -73.07 -29.81 63.22 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.081 -0.509 . . . . 53.109999999999999 110.912 179.982 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' B' B ' 52' ' ' PHE . . . . . 0.528 ' N ' HD12 ' B' ' 51' ' ' LEU . 89.1 t80 -65.2 -23.9 67.21 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.222 -0.444 . . . . 64.310000000000002 110.855 179.987 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' B' B ' 53' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -51.66 -58.83 5.25 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.136 -0.484 . . . . 74.129999999999995 110.933 179.959 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' B' B ' 54' ' ' LEU . . . . . . . . . . . . . 70.4 mt -75.11 -24.41 58.08 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.166 -0.47 . . . . 73.230000000000004 110.873 179.934 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 55' ' ' ALA . . . . . . . . . . . . . . . -58.04 -24.86 60.05 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.297 -0.411 . . . . 52.240000000000002 111.106 179.805 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 56' ' ' GLU . . . . . . . . . . . . . 3.3 mt-10 -75.81 -26.41 57.23 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.145 -0.479 . . . . 74.439999999999998 110.909 -179.969 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 57' ' ' GLU . . . . . . . . . . . . . 25.4 mm-40 -65.12 -49.65 69.12 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.154 -0.475 . . . . 75.219999999999999 110.936 -179.923 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 58' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -78.9 -17.94 54.7 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.226 -0.443 . . . . 53.219999999999999 110.834 -179.918 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' B' B ' 59' ' ' LEU . . . . . 0.985 HD13 ' HB2' ' B' ' 9' ' ' ALA . 20.5 mt -88.5 -74.99 0.44 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.177 -0.465 . . . . 74.510000000000005 110.947 -179.941 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' B' B ' 60' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -105.35 -175.41 2.79 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.158 -0.473 . . . . 74.209999999999994 110.908 179.795 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' B' B ' 61' ' ' LYS . . . . . . . . . . . . . 1.9 pttt -90.04 -31.42 17.18 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.24 -0.436 . . . . 72.239999999999995 110.877 179.853 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 62' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER . . . . . 0 C--N 1.328 -0.339 0 CA-C-N 116.267 -0.424 . . . . 64.420000000000002 110.827 179.885 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 3.3 tptt . . . . . 0 C--O 1.23 0.076 0 CA-C-O 120.872 0.368 . . . . 75.019999999999996 110.924 . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild core ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 7.4 mttp -140.57 -40.72 0.41 Allowed 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.17 -0.468 . . . . 74.040000000000006 110.951 179.881 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 4.4 mm? -64.92 -47.28 78.31 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.194 -0.457 . . . . 75.129999999999995 110.877 179.921 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 3.8 mtp180 -72.2 -40.7 67.65 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.202 -0.453 . . . . 74.439999999999998 110.865 179.963 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 6' ' ' GLU . . . . . 0.533 ' CA ' HD13 ' A' ' 59' ' ' LEU . 5.0 tt0 -54.27 -29.39 46.91 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.177 -0.465 . . . . 64.329999999999998 110.901 -179.911 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 1.2 mm-40 -53.86 -45.97 71.12 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.081 -0.509 . . . . 70.030000000000001 110.86 -179.915 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -58.76 -28.23 65.7 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.141 -0.481 . . . . 75.430000000000007 111.112 179.948 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -74.25 -42.78 59.13 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.204 -0.453 . . . . 70.430000000000007 111.138 179.915 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 7.1 mtpt -58.3 -32.86 68.86 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.187 -0.46 . . . . 64.329999999999998 110.898 179.914 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 11' ' ' LEU . . . . . 0.41 HD12 HD23 ' B' ' 26' ' ' LEU . 72.9 mt -52.04 -43.32 63.69 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.227 -0.442 . . . . 71.310000000000002 110.923 179.937 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 12' ' ' PHE . . . . . 0.594 ' CE1' HD11 ' B' ' 26' ' ' LEU . 24.5 m-85 -74.19 -26.28 60.18 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.19 -0.459 . . . . 71.129999999999995 110.894 179.916 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 1.1 tt0 -59.51 -35.3 73.89 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.108 -0.496 . . . . 50.009999999999998 110.911 -179.957 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 4.9 mt-10 -74.93 -30.23 61.19 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.092 -0.504 . . . . 74.040000000000006 110.897 -179.906 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 15' ' ' TRP . . . . . . . . . . . . . 12.4 m0 -61.95 -50.73 70.96 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.154 -0.476 . . . . 73.319999999999993 110.882 -179.918 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -75.06 -24.73 58.26 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.198 -0.455 . . . . 73.040000000000006 110.918 179.903 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 8.5 mmtp -73.12 -56.77 4.66 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.242 -0.435 . . . . 62.210000000000001 110.859 179.917 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 12.1 mt -54.91 -39.45 68.79 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.237 -0.438 . . . . 75.140000000000001 110.891 179.95 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 19' ' ' ALA . . . . . 0.894 ' HB3' ' HB2' ' A' ' 45' ' ' ALA . . . -57.47 -23.18 48.33 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.174 -0.466 . . . . 74.510000000000005 111.107 179.784 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -73.19 -49.3 28.81 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.245 -0.434 . . . . 63.020000000000003 110.869 -179.896 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 1.4 mm-40 -73.53 -50.23 22.46 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.204 -0.453 . . . . 61.32 110.867 -179.918 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -54.85 -30.52 57.82 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.163 -0.471 . . . . 73.329999999999998 111.09 179.957 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -71.0 -54.22 12.0 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.2 -0.454 . . . . 73.219999999999999 111.103 179.944 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 4.9 ptpt -63.67 -34.29 77.53 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.237 -0.438 . . . . 74.340000000000003 110.919 179.976 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 25' ' ' LEU . . . . . 0.438 HD23 ' HA ' ' A' ' 25' ' ' LEU . 5.9 mt -76.66 -38.92 53.75 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.24 -0.436 . . . . 74.140000000000001 110.886 179.949 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 26' ' ' LEU . . . . . 0.568 HD11 ' CE1' ' B' ' 12' ' ' PHE . 4.9 mt -50.43 -51.91 42.43 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.174 -0.467 . . . . 74.400000000000006 110.939 179.854 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 9.6 mt-10 -78.99 -11.79 60.02 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.148 -0.478 . . . . 70.519999999999996 110.899 179.94 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . 64.29 20.58 65.43 Favored Glycine 0 N--CA 1.452 -0.283 0 C-N-CA 120.746 -0.74 . . . . 51.310000000000002 112.51 -179.933 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . 61.0 19.47 56.75 Favored Glycine 0 N--CA 1.452 -0.274 0 C-N-CA 120.718 -0.753 . . . . 75.310000000000002 112.513 -179.913 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . 141.62 55.45 0.04 OUTLIER Glycine 0 N--CA 1.452 -0.285 0 C-N-CA 120.787 -0.721 . . . . 61.240000000000002 112.497 -179.951 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . -156.24 175.61 33.88 Favored Glycine 0 N--CA 1.45 -0.381 0 C-N-CA 120.743 -0.742 . . . . 54.310000000000002 112.518 -179.907 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . 52.18 -152.53 6.61 Favored Glycine 0 N--CA 1.451 -0.31 0 C-N-CA 120.706 -0.759 . . . . 72.329999999999998 112.469 -179.975 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -64.2 -65.99 2.73 Favored Glycine 0 N--CA 1.451 -0.343 0 C-N-CA 120.764 -0.731 . . . . 32.32 112.546 -179.963 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 66.16 149.71 0.1 OUTLIER Glycine 0 N--CA 1.452 -0.28 0 C-N-CA 120.734 -0.746 . . . . 43.200000000000003 112.448 -179.936 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 129.31 -155.75 20.95 Favored Glycine 0 N--CA 1.451 -0.331 0 C-N-CA 120.697 -0.763 . . . . 21.23 112.476 -179.945 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 30.3 tt0 -64.34 -29.74 70.81 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.898 0.38 . . . . 73.519999999999996 110.86 -179.904 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 37' ' ' LEU . . . . . 0.541 HD13 HH12 ' B' ' 58' ' ' ARG . 2.1 pp -51.94 -35.4 45.79 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.138 -0.483 . . . . 72.209999999999994 110.922 -179.974 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 38' ' ' MET . . . . . . . . . . . . . 2.6 ttp -73.13 -35.2 66.48 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.173 -0.467 . . . . 73.219999999999999 110.883 179.903 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 29.4 tttt -53.9 -30.58 46.72 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.18 -0.463 . . . . 50.409999999999997 110.89 179.921 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -53.79 -57.7 9.91 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.235 -0.438 . . . . 73.109999999999999 110.891 179.932 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 41' ' ' CYS . . . . . . . . . . . . . 31.7 m -64.29 -35.21 80.12 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.245 -0.434 . . . . 75.109999999999999 110.879 179.917 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 28.7 tt0 -55.65 -26.28 43.64 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 116.224 -0.444 . . . . 74.109999999999999 110.927 -179.894 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 3.5 mm-40 -55.5 -26.16 41.25 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.097 -0.502 . . . . 65.040000000000006 110.892 -179.877 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -52.84 -45.51 67.37 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.188 -0.46 . . . . 51.009999999999998 111.101 179.95 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 45' ' ' ALA . . . . . 0.894 ' HB2' ' HB3' ' A' ' 19' ' ' ALA . . . -75.27 -23.12 57.39 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.254 -0.43 . . . . 53.299999999999997 111.096 179.965 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -74.93 -48.57 23.84 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.163 -0.472 . . . . 74.25 110.943 179.903 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 13.5 mttt -73.91 -51.28 16.64 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.212 -0.449 . . . . 71.340000000000003 110.873 179.884 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -52.55 -28.41 20.68 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.279 -0.419 . . . . 74.010000000000005 111.119 179.804 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 1.6 tt0 -77.19 -36.19 55.13 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.224 -0.444 . . . . 73.519999999999996 110.888 -179.93 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 2.5 mt-10 -74.78 -52.78 10.55 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.18 -0.464 . . . . 72.040000000000006 110.903 -179.971 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 51' ' ' LEU . . . . . 0.425 ' C ' HD12 ' A' ' 51' ' ' LEU . 4.6 pp -61.69 -19.54 62.46 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.116 -0.493 . . . . 71.099999999999994 110.855 -179.947 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 52' ' ' PHE . . . . . . . . . . . . . 18.7 t80 -52.35 -23.58 6.14 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.204 -0.453 . . . . 72.0 110.867 179.989 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 1.2 ptpm? -52.82 -40.16 63.06 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.213 -0.449 . . . . 72.209999999999994 110.923 179.963 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 54' ' ' LEU . . . . . . . . . . . . . 4.9 tp -55.52 -22.05 19.57 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.219 -0.446 . . . . 72.120000000000005 110.85 179.962 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -68.03 -24.64 65.12 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.247 -0.433 . . . . 65.239999999999995 111.156 179.783 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 56' ' ' GLU . . . . . 0.528 ' OE1' HD11 ' A' ' 62' ' ' LEU . 1.3 mt-10 -76.43 -27.07 56.1 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.197 -0.456 . . . . 64.420000000000002 110.836 -179.926 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 3.9 mm-40 -62.84 -49.66 74.03 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.195 -0.457 . . . . 70.420000000000002 110.883 -179.934 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 58' ' ' ARG . . . . . 0.548 HH12 HD13 ' B' ' 37' ' ' LEU . 0.0 OUTLIER -78.88 -18.9 53.16 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.192 -0.458 . . . . 74.450000000000003 110.833 -179.862 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 59' ' ' LEU . . . . . 0.533 HD13 ' CA ' ' A' ' 6' ' ' GLU . 23.5 tp -87.77 -77.54 0.34 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.154 -0.476 . . . . 70.25 110.956 179.944 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -101.12 -175.35 2.85 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.183 -0.462 . . . . 73.349999999999994 110.957 179.792 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -120.42 69.28 0.86 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.238 -0.437 . . . . 74.450000000000003 110.865 179.865 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 62' ' ' LEU . . . . . 0.528 HD11 ' OE1' ' A' ' 56' ' ' GLU . 71.5 mt . . . . . 0 C--N 1.328 -0.33 0 CA-C-N 116.286 -0.415 . . . . 71.040000000000006 110.948 179.887 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 1' ' ' MET . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 C--O 1.231 0.108 0 CA-C-O 120.838 0.352 . . . . 75.299999999999997 110.884 . . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 2' ' ' LYS . . . . . 0.625 ' HD3' HD11 ' B' ' 59' ' ' LEU . 0.0 OUTLIER -173.23 149.11 1.74 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.183 -0.462 . . . . 61.030000000000001 110.874 179.882 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' B' B ' 3' ' ' LYS . . . . . . . . . . . . . 7.7 mttp -171.65 -50.68 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.187 -0.46 . . . . 74.099999999999994 110.86 179.863 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 4' ' ' LEU . . . . . . . . . . . . . 4.2 mm? -94.45 -23.11 17.87 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.253 -0.43 . . . . 65.200000000000003 110.909 179.966 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 5' ' ' ARG . . . . . . . . . . . . . 3.1 mtp180 -65.41 -40.6 93.58 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.194 -0.457 . . . . 71.430000000000007 110.87 179.934 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 6' ' ' GLU . . . . . 0.585 ' CA ' HD13 ' B' ' 59' ' ' LEU . 4.9 tt0 -56.95 -33.05 66.63 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.13 -0.487 . . . . 65.239999999999995 110.91 -179.893 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' B' B ' 7' ' ' GLU . . . . . . . . . . . . . 1.2 mm-40 -53.96 -45.3 71.28 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.185 -0.461 . . . . 74.430000000000007 110.867 -179.96 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 8' ' ' ALA . . . . . . . . . . . . . . . -58.5 -27.14 64.19 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.169 -0.468 . . . . 71.329999999999998 111.07 179.969 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 9' ' ' ALA . . . . . . . . . . . . . . . -74.2 -42.58 59.58 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.248 -0.433 . . . . 62.310000000000002 111.114 179.929 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 10' ' ' LYS . . . . . . . . . . . . . 6.9 mtpt -60.3 -32.38 71.16 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.244 -0.434 . . . . 75.329999999999998 110.859 -179.994 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 11' ' ' LEU . . . . . . . . . . . . . 78.3 mt -51.88 -44.02 63.54 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.265 -0.425 . . . . 62.130000000000003 110.898 179.904 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 12' ' ' PHE . . . . . 0.568 ' CE1' HD11 ' A' ' 26' ' ' LEU . 23.7 m-85 -74.13 -26.0 60.08 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.193 -0.458 . . . . 73.109999999999999 110.883 179.959 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' B' B ' 13' ' ' GLU . . . . . . . . . . . . . 1.1 tt0 -59.45 -35.22 73.64 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.171 -0.468 . . . . 73.519999999999996 110.886 -179.93 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 14' ' ' GLU . . . . . . . . . . . . . 4.9 mt-10 -74.98 -30.23 61.12 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.13 -0.486 . . . . 61.009999999999998 110.899 -179.938 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 15' ' ' TRP . . . . . . . . . . . . . 12.2 m0 -61.75 -50.55 71.93 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 116.13 -0.487 . . . . 73.150000000000006 110.909 -179.979 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 16' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -75.57 -24.56 56.65 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.211 -0.449 . . . . 70.049999999999997 110.918 179.9 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' B' B ' 17' ' ' LYS . . . . . . . . . . . . . 8.6 mmtp -73.09 -56.56 4.94 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.247 -0.433 . . . . 75.409999999999997 110.909 179.821 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 18' ' ' LEU . . . . . . . . . . . . . 12.2 mt -54.77 -39.66 68.61 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.22 -0.446 . . . . 75.010000000000005 110.889 179.886 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 19' ' ' ALA . . . . . 0.92 ' HB3' ' HB2' ' B' ' 45' ' ' ALA . . . -57.62 -23.46 51.2 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.233 -0.44 . . . . 64.129999999999995 111.126 179.783 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' B' B ' 20' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -73.25 -49.44 27.75 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.211 -0.449 . . . . 74.209999999999994 110.91 -179.945 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' B' B ' 21' ' ' GLU . . . . . . . . . . . . . 1.4 mm-40 -73.6 -50.15 22.6 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.119 -0.491 . . . . 72.519999999999996 110.844 -179.88 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 22' ' ' ALA . . . . . . . . . . . . . . . -54.87 -30.38 57.73 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.182 -0.463 . . . . 63.240000000000002 111.111 179.946 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 23' ' ' ALA . . . . . . . . . . . . . . . -71.04 -54.32 11.6 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.211 -0.449 . . . . 51.299999999999997 111.049 179.899 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 24' ' ' LYS . . . . . . . . . . . . . 4.8 ptpt -63.6 -34.37 77.66 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.24 -0.436 . . . . 75.400000000000006 110.858 -179.972 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 25' ' ' LEU . . . . . . . . . . . . . 5.8 mt -76.61 -38.98 53.87 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.195 -0.457 . . . . 74.329999999999998 110.932 179.956 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 26' ' ' LEU . . . . . 0.594 HD11 ' CE1' ' A' ' 12' ' ' PHE . 4.9 mt -50.55 -51.8 44.71 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.198 -0.456 . . . . 72.230000000000004 110.893 179.891 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' B' B ' 27' ' ' GLU . . . . . . . . . . . . . 9.5 mt-10 -78.94 -11.82 60.01 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.229 -0.441 . . . . 63.310000000000002 110.88 179.904 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 28' ' ' GLY . . . . . . . . . . . . . . . 64.1 20.56 65.0 Favored Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.761 -0.733 . . . . 62.0 112.498 -179.96 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 29' ' ' GLY . . . . . . . . . . . . . . . 61.04 19.54 56.91 Favored Glycine 0 N--CA 1.45 -0.387 0 C-N-CA 120.774 -0.727 . . . . 73.049999999999997 112.528 -179.887 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 30' ' ' GLY . . . . . . . . . . . . . . . 141.62 55.33 0.04 OUTLIER Glycine 0 N--CA 1.45 -0.368 0 C-N-CA 120.82 -0.705 . . . . 51.32 112.538 -179.89 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 31' ' ' GLY . . . . . . . . . . . . . . . -156.41 175.55 34.03 Favored Glycine 0 N--CA 1.451 -0.325 0 C-N-CA 120.78 -0.724 . . . . 75.099999999999994 112.563 -179.925 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 32' ' ' GLY . . . . . . . . . . . . . . . 52.23 -152.43 6.77 Favored Glycine 0 N--CA 1.451 -0.343 0 C-N-CA 120.706 -0.759 . . . . 54.039999999999999 112.564 -179.849 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 33' ' ' GLY . . . . . . . . . . . . . . . -64.35 -65.92 2.75 Favored Glycine 0 N--CA 1.452 -0.275 0 C-N-CA 120.749 -0.739 . . . . 52.329999999999998 112.485 -179.986 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 34' ' ' GLY . . . . . . . . . . . . . . . 66.16 149.84 0.1 Allowed Glycine 0 N--CA 1.45 -0.38 0 C-N-CA 120.832 -0.699 . . . . 34.43 112.507 -179.888 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 35' ' ' GLY . . . . . . . . . . . . . . . 129.09 -155.87 20.94 Favored Glycine 0 N--CA 1.451 -0.315 0 C-N-CA 120.793 -0.718 . . . . 71.150000000000006 112.463 -179.899 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 36' ' ' GLU . . . . . . . . . . . . . 30.1 tt0 -64.23 -29.77 70.85 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.874 0.369 . . . . 74.319999999999993 110.872 -179.895 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 37' ' ' LEU . . . . . 0.548 HD13 HH12 ' A' ' 58' ' ' ARG . 2.2 pp -51.91 -35.4 45.39 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.181 -0.463 . . . . 74.120000000000005 110.863 -179.902 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' B' B ' 38' ' ' MET . . . . . . . . . . . . . 2.5 ttp -73.07 -35.44 66.67 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.219 -0.446 . . . . 72.120000000000005 110.939 179.782 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 39' ' ' LYS . . . . . . . . . . . . . 29.4 tttt -53.84 -30.88 47.27 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.191 -0.459 . . . . 72.209999999999994 110.866 179.969 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 40' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -53.82 -57.65 10.14 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.262 -0.426 . . . . 63.340000000000003 110.902 179.926 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' B' B ' 41' ' ' CYS . . . . . . . . . . . . . 31.0 m -64.31 -34.55 78.39 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.242 -0.435 . . . . 55.329999999999998 110.926 179.879 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 42' ' ' GLU . . . . . . . . . . . . . 28.5 tt0 -56.3 -26.03 50.66 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.175 -0.466 . . . . 70.120000000000005 110.873 -179.86 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 43' ' ' GLU . . . . . . . . . . . . . 3.5 mm-40 -55.31 -25.94 37.53 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.131 -0.486 . . . . 71.040000000000006 110.901 -179.958 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 44' ' ' ALA . . . . . . . . . . . . . . . -52.79 -45.76 67.32 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.169 -0.469 . . . . 54.329999999999998 111.069 179.884 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 45' ' ' ALA . . . . . 0.92 ' HB2' ' HB3' ' B' ' 19' ' ' ALA . . . -75.08 -22.85 58.04 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.218 -0.446 . . . . 72.329999999999998 111.055 -180.0 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' B' B ' 46' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -75.36 -48.85 21.11 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.26 -0.427 . . . . 74.340000000000003 110.942 179.956 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' B' B ' 47' ' ' LYS . . . . . . . . . . . . . 13.9 mttt -73.74 -51.69 15.68 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.153 -0.476 . . . . 64.299999999999997 110.927 179.78 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 48' ' ' ALA . . . . . . . . . . . . . . . -52.66 -28.27 20.86 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.228 -0.442 . . . . 74.019999999999996 111.093 179.841 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 49' ' ' GLU . . . . . . . . . . . . . 1.6 tt0 -77.19 -36.85 54.64 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.187 -0.46 . . . . 74.25 110.826 -179.877 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 50' ' ' GLU . . . . . . . . . . . . . 2.5 mt-10 -74.74 -52.85 10.41 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.198 -0.456 . . . . 71.530000000000001 110.904 -179.943 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 51' ' ' LEU . . . . . 0.423 ' C ' HD12 ' B' ' 51' ' ' LEU . 4.6 pp -61.71 -19.62 62.6 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.22 -0.445 . . . . 73.319999999999993 110.917 179.985 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' B' B ' 52' ' ' PHE . . . . . . . . . . . . . 18.6 t80 -52.23 -23.63 5.95 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.202 -0.454 . . . . 71.140000000000001 110.875 179.893 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 53' ' ' LYS . . . . . . . . . . . . . 1.2 ptpm? -52.64 -40.43 62.79 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.176 -0.465 . . . . 62.299999999999997 110.923 179.946 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 54' ' ' LEU . . . . . . . . . . . . . 4.9 tp -55.44 -22.02 18.59 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.181 -0.463 . . . . 65.239999999999995 110.921 179.928 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 55' ' ' ALA . . . . . . . . . . . . . . . -68.14 -24.71 65.03 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.162 -0.472 . . . . 74.420000000000002 111.068 179.781 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 56' ' ' GLU . . . . . 0.546 ' OE1' HD11 ' B' ' 62' ' ' LEU . 1.3 mt-10 -76.36 -26.96 56.23 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.232 -0.44 . . . . 73.400000000000006 110.869 -179.868 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' B' B ' 57' ' ' GLU . . . . . . . . . . . . . 3.9 mm-40 -63.05 -49.69 73.56 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.136 -0.484 . . . . 65.530000000000001 110.914 -179.927 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 58' ' ' ARG . . . . . 0.541 HH12 HD13 ' A' ' 37' ' ' LEU . 0.0 OUTLIER -78.72 -18.84 53.67 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.106 -0.497 . . . . 74.439999999999998 110.854 -179.91 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' B' B ' 59' ' ' LEU . . . . . 0.625 HD11 ' HD3' ' B' ' 2' ' ' LYS . 20.3 tp -87.97 -77.57 0.35 Allowed 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.215 -0.448 . . . . 62.549999999999997 110.934 -179.936 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' B' B ' 60' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -101.15 -175.28 2.82 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.254 -0.43 . . . . 72.409999999999997 110.911 179.779 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' B' B ' 61' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -119.95 69.07 0.84 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.243 -0.435 . . . . 75.25 110.954 179.862 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' B' B ' 62' ' ' LEU . . . . . 0.546 HD11 ' OE1' ' B' ' 56' ' ' GLU . 71.6 mt . . . . . 0 C--N 1.329 -0.285 0 CA-C-N 116.168 -0.469 . . . . 74.439999999999998 110.977 179.954 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 15.3 ptmt . . . . . 0 C--O 1.231 0.12 0 CA-C-O 120.839 0.352 . . . . 71.200000000000003 110.854 . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild core ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER 180.0 -52.32 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.195 -0.457 . . . . 72.129999999999995 110.854 179.878 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER 176.81 -31.85 0.0 OUTLIER 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.286 -0.416 . . . . 73.239999999999995 110.895 179.923 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -70.6 -23.67 62.61 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.234 -0.439 . . . . 71.150000000000006 110.884 179.975 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 6' ' ' GLU . . . . . 0.51 ' CA ' HD13 ' A' ' 59' ' ' LEU . 0.0 OUTLIER -54.22 -32.67 56.44 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.172 -0.467 . . . . 74.319999999999993 110.877 -179.937 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 8.3 mm-40 -55.15 -53.84 50.88 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.167 -0.47 . . . . 65.310000000000002 110.866 -179.936 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -53.46 -27.95 27.79 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.173 -0.467 . . . . 61.25 111.109 179.977 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 9' ' ' ALA . . . . . 0.477 ' HB3' ' O ' ' A' ' 6' ' ' GLU . . . -66.94 -40.54 87.6 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.193 -0.458 . . . . 62.340000000000003 111.115 179.923 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 8.8 mtmt -62.68 -32.65 73.76 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.223 -0.444 . . . . 65.349999999999994 110.935 179.947 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 59.5 mt -51.99 -44.55 64.13 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.207 -0.451 . . . . 60.140000000000001 110.885 179.92 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 12' ' ' PHE . . . . . 0.514 ' CE1' HD13 ' A' ' 51' ' ' LEU . 28.0 m-85 -73.99 -24.42 59.6 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.161 -0.472 . . . . 62.009999999999998 110.939 179.946 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -57.75 -39.01 76.38 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 116.113 -0.494 . . . . 70.409999999999997 110.88 -179.936 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 10.0 mt-10 -75.09 -34.31 61.73 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.228 -0.442 . . . . 74.230000000000004 110.953 179.997 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 15' ' ' TRP . . . . . 0.547 ' CZ3' ' HB2' ' B' ' 44' ' ' ALA . 23.2 m0 -53.9 -48.46 70.1 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.14 -0.482 . . . . 74.519999999999996 110.928 -179.974 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -77.15 -24.21 51.58 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.258 -0.428 . . . . 74.5 110.943 179.852 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -70.26 -47.08 62.91 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.209 -0.45 . . . . 32.43 110.928 179.851 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 3.6 mt -55.81 -32.79 63.86 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.192 -0.458 . . . . 75.120000000000005 110.899 179.907 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -69.96 -20.96 63.3 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.216 -0.447 . . . . 70.150000000000006 111.134 179.801 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 69.5 mt-10 -67.28 -49.24 65.08 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.18 -0.464 . . . . 70.409999999999997 110.9 -179.901 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 2.4 mm-40 -71.37 -32.14 68.14 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.117 -0.492 . . . . 43.039999999999999 110.923 -179.969 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -76.05 -32.94 59.56 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.128 -0.487 . . . . 70.409999999999997 111.116 179.904 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -70.95 -50.63 32.41 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.219 -0.446 . . . . 74.219999999999999 111.135 179.925 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -61.93 -37.54 85.09 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.265 -0.425 . . . . 43.130000000000003 110.945 179.925 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 12.6 mt -76.62 -38.91 53.95 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.238 -0.437 . . . . 72.409999999999997 110.899 179.899 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 2.4 mt -50.67 -43.33 57.42 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.125 -0.489 . . . . 63.420000000000002 110.915 179.957 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 9.0 mt-10 -101.61 12.83 36.54 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.181 -0.463 . . . . 73.439999999999998 110.915 179.943 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . -56.22 -17.53 17.91 Favored Glycine 0 N--CA 1.452 -0.297 0 C-N-CA 120.779 -0.724 . . . . 70.219999999999999 112.467 -179.968 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . 145.37 38.89 0.05 OUTLIER Glycine 0 N--CA 1.452 -0.262 0 C-N-CA 120.704 -0.76 . . . . 74.049999999999997 112.476 -179.866 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . -137.91 -67.06 0.05 OUTLIER Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.701 -0.762 . . . . 73.099999999999994 112.479 -179.959 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . 119.88 -54.71 0.64 Allowed Glycine 0 N--CA 1.451 -0.357 0 C-N-CA 120.755 -0.736 . . . . 52.310000000000002 112.494 -179.927 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . 52.11 -171.71 0.36 Allowed Glycine 0 N--CA 1.452 -0.297 0 C-N-CA 120.71 -0.757 . . . . 63.030000000000001 112.487 -179.951 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . 117.48 -90.09 0.5 Allowed Glycine 0 N--CA 1.451 -0.34 0 C-N-CA 120.745 -0.741 . . . . 50.509999999999998 112.484 -179.92 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 65.8 20.35 68.32 Favored Glycine 0 N--CA 1.452 -0.289 0 C-N-CA 120.749 -0.739 . . . . 71.219999999999999 112.441 -179.911 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 147.98 -145.04 13.15 Favored Glycine 0 N--CA 1.451 -0.3 0 C-N-CA 120.731 -0.747 . . . . 71.239999999999995 112.47 -179.956 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 1.8 pt-20 -74.91 -10.66 59.7 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.94 0.4 . . . . 71.400000000000006 110.907 -179.875 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 37' ' ' LEU . . . . . 0.62 HD13 ' CB ' ' B' ' 54' ' ' LEU . 0.3 OUTLIER -50.84 -52.66 39.26 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.112 -0.495 . . . . 75.5 110.896 -179.922 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 38' ' ' MET . . . . . . . . . . . . . 43.9 ttm -53.0 -42.04 65.21 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.14 -0.482 . . . . 55.340000000000003 110.891 179.848 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -69.36 -27.95 65.78 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.224 -0.444 . . . . 64.519999999999996 110.92 179.939 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 40' ' ' LEU . . . . . 0.56 HD22 ' HD3' ' B' ' 47' ' ' LYS . 27.0 mt -74.01 -30.75 62.61 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.202 -0.454 . . . . 70.530000000000001 110.962 179.896 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 41' ' ' CYS . . . . . . . . . . . . . 48.4 m -62.22 -35.27 78.39 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.17 -0.468 . . . . 71.540000000000006 110.822 179.95 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -72.69 -30.25 64.08 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.191 -0.458 . . . . 75.120000000000005 110.883 -179.806 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 3.8 mm-40 -59.24 -33.9 71.57 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 116.117 -0.492 . . . . 75.409999999999997 110.95 -179.974 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 44' ' ' ALA . . . . . 0.481 ' HB2' ' CZ3' ' B' ' 15' ' ' TRP . . . -51.6 -42.54 62.02 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.116 -0.493 . . . . 71.510000000000005 111.142 179.911 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -75.18 -22.97 57.65 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.182 -0.463 . . . . 71.239999999999995 111.052 -179.998 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -77.92 -46.74 20.4 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.208 -0.451 . . . . 70.310000000000002 110.853 -179.958 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 36.6 mmtm -61.85 -53.79 51.05 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.234 -0.439 . . . . 74.019999999999996 110.86 179.86 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 48' ' ' ALA . . . . . 0.465 ' HA ' HD12 ' A' ' 51' ' ' LEU . . . -58.05 -49.73 75.87 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.283 -0.417 . . . . 70.200000000000003 111.128 179.87 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 4.3 tp10 -58.76 -37.63 76.67 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.25 -0.432 . . . . 74.010000000000005 110.924 -179.98 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -73.92 -33.49 63.98 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.123 -0.49 . . . . 71.349999999999994 110.841 -179.895 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 51' ' ' LEU . . . . . 0.514 HD13 ' CE1' ' A' ' 12' ' ' PHE . 6.0 mt -72.98 -45.11 59.81 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.218 -0.446 . . . . 70.239999999999995 110.898 -179.966 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 52' ' ' PHE . . . . . . . . . . . . . 21.2 t80 -54.34 -29.76 49.17 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.164 -0.471 . . . . 65.219999999999999 110.879 179.925 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 23.6 mmtt -61.58 -44.69 96.55 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.146 -0.479 . . . . 65.349999999999994 110.912 -179.989 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 54' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -68.71 -27.29 65.82 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.246 -0.434 . . . . 50.43 110.9 179.936 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -53.35 -27.63 24.64 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.262 -0.426 . . . . 70.519999999999996 111.078 179.803 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 6.0 tt0 -64.9 -45.7 84.82 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.218 -0.446 . . . . 73.510000000000005 110.865 -179.916 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 24.9 tt0 -66.56 -37.92 85.97 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.166 -0.47 . . . . 61.329999999999998 110.917 -179.974 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 3.2 mtp85 -78.01 -19.37 54.55 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.176 -0.466 . . . . 74.019999999999996 110.825 -179.898 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 59' ' ' LEU . . . . . 0.51 HD13 ' CA ' ' A' ' 6' ' ' GLU . 26.4 tp -99.8 -78.8 0.5 Allowed 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.213 -0.449 . . . . 74.319999999999993 110.922 -179.99 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -95.22 -174.22 3.15 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.245 -0.434 . . . . 72.439999999999998 110.943 179.826 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -99.08 86.72 3.51 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.265 -0.425 . . . . 75.329999999999998 110.949 179.829 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 1.5 tt . . . . . 0 C--N 1.328 -0.35 0 CA-C-N 116.215 -0.448 . . . . 74.010000000000005 110.939 179.907 . . . . . . . . 0 0 . 1 . 013 nuclear nobuild core ' B' B ' 1' ' ' MET . . . . . . . . . . . . . 6.2 mtm . . . . . 0 C--O 1.231 0.103 0 CA-C-O 120.866 0.365 . . . . 64.349999999999994 110.843 . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild core ' B' B ' 2' ' ' LYS . . . . . 0.514 ' HA ' HD11 ' B' ' 59' ' ' LEU . 15.3 ptmt -95.16 -166.48 1.47 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.185 -0.461 . . . . 71.209999999999994 110.894 179.94 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' B' B ' 3' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -179.82 -52.42 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.254 -0.43 . . . . 73.010000000000005 110.855 179.849 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' B' B ' 4' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER 176.98 -32.05 0.0 OUTLIER 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.2 -0.455 . . . . 71.120000000000005 110.904 179.908 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' B' B ' 5' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -70.22 -24.06 63.04 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.156 -0.475 . . . . 74.099999999999994 110.916 179.895 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' B' B ' 6' ' ' GLU . . . . . 0.463 ' O ' ' HB3' ' B' ' 9' ' ' ALA . 0.0 OUTLIER -54.12 -32.95 56.54 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.165 -0.47 . . . . 73.439999999999998 110.873 -179.919 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' B' B ' 7' ' ' GLU . . . . . . . . . . . . . 8.1 mm-40 -55.55 -54.12 48.0 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.149 -0.478 . . . . 63.32 110.946 -179.945 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 8' ' ' ALA . . . . . . . . . . . . . . . -53.48 -27.99 28.21 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.113 -0.494 . . . . 45.310000000000002 111.079 179.911 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 9' ' ' ALA . . . . . 0.463 ' HB3' ' O ' ' B' ' 6' ' ' GLU . . . -67.36 -41.36 85.24 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.267 -0.424 . . . . 72.340000000000003 111.053 179.933 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' B' B ' 10' ' ' LYS . . . . . . . . . . . . . 9.0 mtmt -63.28 -32.37 73.76 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.256 -0.429 . . . . 54.130000000000003 110.923 179.978 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 11' ' ' LEU . . . . . . . . . . . . . 60.8 mt -51.87 -44.52 63.73 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.243 -0.435 . . . . 71.540000000000006 110.916 179.913 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 12' ' ' PHE . . . . . 0.649 ' CE1' HD13 ' B' ' 51' ' ' LEU . 28.1 m-85 -73.95 -25.12 59.78 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.144 -0.48 . . . . 73.319999999999993 110.906 179.937 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' B' B ' 13' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -57.34 -39.36 75.76 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.17 -0.468 . . . . 74.409999999999997 110.859 -179.937 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' B' B ' 14' ' ' GLU . . . . . . . . . . . . . 10.4 mt-10 -75.13 -34.31 61.65 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.127 -0.488 . . . . 70.109999999999999 110.847 -179.87 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 15' ' ' TRP . . . . . 0.481 ' CZ3' ' HB2' ' A' ' 44' ' ' ALA . 20.9 m0 -53.88 -48.18 70.34 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.207 -0.451 . . . . 63.210000000000001 110.9 -179.957 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' B' B ' 16' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -76.97 -24.78 52.29 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.248 -0.433 . . . . 74.400000000000006 110.909 179.939 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' B' B ' 17' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -70.98 -45.37 64.16 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.2 -0.455 . . . . 72.209999999999994 110.918 179.889 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' B' B ' 18' ' ' LEU . . . . . . . . . . . . . 3.5 mt -54.66 -26.62 34.38 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.161 -0.472 . . . . 72.329999999999998 110.961 179.836 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 19' ' ' ALA . . . . . . . . . . . . . . . -62.86 -30.26 71.37 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.203 -0.453 . . . . 62.409999999999997 111.09 179.841 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 20' ' ' GLU . . . . . . . . . . . . . 65.3 mt-10 -66.98 -49.38 65.55 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.179 -0.464 . . . . 72.409999999999997 110.887 -179.917 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 21' ' ' GLU . . . . . . . . . . . . . 2.4 mm-40 -74.14 -30.96 62.54 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.188 -0.46 . . . . 64.329999999999998 110.913 -179.931 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 22' ' ' ALA . . . . . . . . . . . . . . . -75.87 -30.77 58.97 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.116 -0.493 . . . . 72.519999999999996 111.116 179.928 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 23' ' ' ALA . . . . . . . . . . . . . . . -70.93 -51.96 22.85 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.152 -0.476 . . . . 75.010000000000005 111.01 179.976 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 24' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -62.04 -37.26 84.27 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.271 -0.422 . . . . 54.219999999999999 110.918 -179.99 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' B' B ' 25' ' ' LEU . . . . . 0.409 ' HA ' HD23 ' B' ' 25' ' ' LEU . 12.5 mt -76.82 -36.74 56.68 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.145 -0.48 . . . . 74.140000000000001 110.864 179.947 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' B' B ' 26' ' ' LEU . . . . . . . . . . . . . 2.0 mt -50.49 -47.49 57.16 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.151 -0.477 . . . . 74.519999999999996 110.97 179.919 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 27' ' ' GLU . . . . . . . . . . . . . 9.2 mt-10 -96.81 12.3 32.59 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.161 -0.472 . . . . 75.129999999999995 110.925 179.883 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 28' ' ' GLY . . . . . . . . . . . . . . . -59.8 -13.96 27.78 Favored Glycine 0 N--CA 1.451 -0.326 0 C-N-CA 120.782 -0.723 . . . . 33.240000000000002 112.487 -179.996 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 29' ' ' GLY . . . . . . . . . . . . . . . 145.5 50.1 0.03 OUTLIER Glycine 0 N--CA 1.452 -0.288 0 C-N-CA 120.696 -0.764 . . . . 74.230000000000004 112.482 -179.873 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 30' ' ' GLY . . . . . . . . . . . . . . . -114.02 -29.6 2.76 Favored Glycine 0 N--CA 1.451 -0.325 0 C-N-CA 120.682 -0.77 . . . . 75.219999999999999 112.502 -179.919 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 31' ' ' GLY . . . . . . . . . . . . . . . 157.51 -32.61 0.53 Allowed Glycine 0 N--CA 1.451 -0.339 0 C-N-CA 120.723 -0.751 . . . . 33.140000000000001 112.482 -179.982 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 32' ' ' GLY . . . . . . . . . . . . . . . 71.93 -134.72 22.16 Favored Glycine 0 N--CA 1.451 -0.316 0 C-N-CA 120.801 -0.714 . . . . 63.350000000000001 112.473 -179.879 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 33' ' ' GLY . . . . . . . . . . . . . . . 155.46 -69.02 0.29 Allowed Glycine 0 N--CA 1.451 -0.357 0 C-N-CA 120.768 -0.73 . . . . 54.130000000000003 112.506 -179.923 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 34' ' ' GLY . . . . . . . . . . . . . . . 85.28 56.09 2.48 Favored Glycine 0 N--CA 1.451 -0.301 0 C-N-CA 120.672 -0.775 . . . . 71.409999999999997 112.445 -179.938 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 35' ' ' GLY . . . . . . . . . . . . . . . -177.75 -138.39 3.04 Favored Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 120.76 -0.734 . . . . 74.209999999999994 112.556 -179.915 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 36' ' ' GLU . . . . . . . . . . . . . 1.6 pt-20 -65.96 -15.4 62.96 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-O 120.972 0.415 . . . . 74.010000000000005 110.928 -179.912 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 37' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -53.35 -59.13 4.97 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.165 -0.47 . . . . 75.129999999999995 110.92 -179.988 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' B' B ' 38' ' ' MET . . . . . . . . . . . . . 47.4 ttm -68.36 -30.07 68.93 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.206 -0.452 . . . . 71.439999999999998 110.919 179.792 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 39' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -57.13 -30.63 64.57 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.197 -0.456 . . . . 74.109999999999999 110.926 179.911 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' B' B ' 40' ' ' LEU . . . . . . . . . . . . . 27.0 mt -71.69 -42.88 66.89 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.24 -0.436 . . . . 74.019999999999996 110.909 179.96 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 41' ' ' CYS . . . . . . . . . . . . . 32.0 m -74.94 -29.33 60.91 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.195 -0.457 . . . . 50.219999999999999 110.936 179.873 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 42' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -66.37 -25.71 66.92 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.154 -0.476 . . . . 62.240000000000002 110.876 -179.827 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' B' B ' 43' ' ' GLU . . . . . . . . . . . . . 3.6 mm-40 -54.75 -34.63 62.8 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.092 -0.504 . . . . 75.319999999999993 110.859 -179.93 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 44' ' ' ALA . . . . . 0.547 ' HB2' ' CZ3' ' A' ' 15' ' ' TRP . . . -51.91 -42.0 62.4 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.145 -0.48 . . . . 44.409999999999997 111.068 -179.972 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' B' B ' 45' ' ' ALA . . . . . . . . . . . . . . . -75.18 -22.9 57.72 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.222 -0.444 . . . . 70.019999999999996 111.135 179.939 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 46' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -74.44 -45.7 44.76 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.177 -0.465 . . . . 74.310000000000002 110.858 179.968 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' B' B ' 47' ' ' LYS . . . . . 0.56 ' HD3' HD22 ' A' ' 40' ' ' LEU . 37.1 mmtm -60.87 -53.67 54.51 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.219 -0.446 . . . . 65.439999999999998 110.954 179.86 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' B' B ' 48' ' ' ALA . . . . . 0.681 ' HA ' HD12 ' B' ' 51' ' ' LEU . . . -59.0 -49.12 79.12 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.188 -0.46 . . . . 63.030000000000001 111.102 179.824 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' B' B ' 49' ' ' GLU . . . . . . . . . . . . . 4.2 tp10 -57.9 -37.15 73.48 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.202 -0.454 . . . . 72.040000000000006 110.839 -179.953 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 50' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -73.77 -32.23 63.69 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.221 -0.445 . . . . 51.350000000000001 110.908 -179.88 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' B' B ' 51' ' ' LEU . . . . . 0.681 HD12 ' HA ' ' B' ' 48' ' ' ALA . 5.6 mt -72.41 -43.93 63.18 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.124 -0.489 . . . . 60.140000000000001 110.969 179.994 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' B' B ' 52' ' ' PHE . . . . . 0.434 ' O ' ' HB3' ' B' ' 55' ' ' ALA . 20.9 t80 -54.12 -28.13 37.7 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.179 -0.464 . . . . 72.150000000000006 110.852 179.922 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' B' B ' 53' ' ' LYS . . . . . . . . . . . . . 23.6 mmtt -59.92 -44.76 94.12 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.253 -0.43 . . . . 60.539999999999999 110.846 179.936 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 54' ' ' LEU . . . . . 0.62 ' CB ' HD13 ' A' ' 37' ' ' LEU . 0.3 OUTLIER -68.69 -25.85 65.0 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.25 -0.432 . . . . 75.129999999999995 110.976 179.93 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' B' B ' 55' ' ' ALA . . . . . 0.442 ' HB1' ' HB2' ' B' ' 9' ' ' ALA . . . -53.22 -27.66 23.08 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.131 -0.486 . . . . 54.329999999999998 111.128 179.75 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' B' B ' 56' ' ' GLU . . . . . . . . . . . . . 6.0 tt0 -64.56 -45.95 84.86 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.181 -0.463 . . . . 73.409999999999997 110.906 -179.939 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 57' ' ' GLU . . . . . . . . . . . . . 25.0 tt0 -66.47 -37.83 85.98 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.124 -0.489 . . . . 63.43 110.879 -179.898 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 58' ' ' ARG . . . . . . . . . . . . . 3.1 mtp85 -78.08 -19.16 54.74 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.179 -0.464 . . . . 65.450000000000003 110.861 -179.916 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 59' ' ' LEU . . . . . 0.514 HD11 ' HA ' ' B' ' 2' ' ' LYS . 28.6 tp -100.06 -78.73 0.51 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.188 -0.46 . . . . 65.409999999999997 110.96 -179.961 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' B' B ' 60' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -95.23 -174.18 3.14 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.188 -0.46 . . . . 71.120000000000005 110.905 179.784 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' B' B ' 61' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -98.98 86.82 3.55 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 116.192 -0.458 . . . . 72.010000000000005 110.89 179.878 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' B' B ' 62' ' ' LEU . . . . . . . . . . . . . 1.5 tt . . . . . 0 C--N 1.328 -0.357 0 CA-C-N 116.188 -0.46 . . . . 73.319999999999993 110.9 179.905 . . . . . . . . 0 0 . 1 . 014 nuclear nobuild core ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 C--O 1.232 0.137 0 CA-C-O 120.817 0.341 . . . . 71.120000000000005 110.926 . . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -119.53 -30.12 4.92 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.255 -0.43 . . . . 62.299999999999997 110.935 179.87 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -176.45 -31.7 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.176 -0.465 . . . . 72.129999999999995 110.914 179.896 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 37.1 mtt180 -51.4 -27.58 10.41 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.241 -0.436 . . . . 64.209999999999994 110.828 179.965 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -52.53 -26.62 13.69 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.277 -0.42 . . . . 74.25 110.878 -179.921 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 1.5 mm-40 -53.04 -36.08 60.18 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.177 -0.465 . . . . 74.340000000000003 110.866 -179.924 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -76.24 -26.98 56.56 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.108 -0.496 . . . . 72.310000000000002 111.067 179.988 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 9' ' ' ALA . . . . . 0.749 ' HB2' HD13 ' A' ' 59' ' ' LEU . . . -60.82 -41.0 94.86 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.3 -0.409 . . . . 71.319999999999993 111.084 179.926 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 17.2 mtpt -55.8 -34.36 65.25 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.263 -0.426 . . . . 64.239999999999995 110.909 179.94 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 33.7 mt -52.2 -42.91 63.9 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.237 -0.438 . . . . 64.430000000000007 110.907 179.921 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 22.8 m-85 -73.99 -26.32 60.4 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.181 -0.463 . . . . 71.109999999999999 110.926 179.937 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -62.25 -48.49 79.69 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.127 -0.488 . . . . 64.519999999999996 110.977 -179.991 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 6.2 mt-10 -75.08 -27.59 59.99 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.132 -0.485 . . . . 73.099999999999994 110.857 -179.946 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 15' ' ' TRP . . . . . . . . . . . . . 0.0 OUTLIER -56.33 -55.74 29.73 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.181 -0.463 . . . . 62.43 110.904 -179.94 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 2.8 ptmt -68.92 -22.33 64.16 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.223 -0.444 . . . . 74.519999999999996 110.993 179.901 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 1.9 tttt -75.03 -43.97 50.58 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.154 -0.476 . . . . 64.540000000000006 110.908 179.834 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 3.6 mt -57.2 -23.96 51.27 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.236 -0.438 . . . . 74.540000000000006 110.895 179.941 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -72.07 -10.05 59.24 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.237 -0.438 . . . . 73.209999999999994 111.084 179.836 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 1.4 tp10 -68.77 -49.54 57.82 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.162 -0.472 . . . . 65.329999999999998 110.89 -179.908 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -53.52 -34.2 57.27 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.193 -0.458 . . . . 73.349999999999994 110.857 -179.893 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 22' ' ' ALA . . . . . 0.458 ' O ' HD12 ' A' ' 26' ' ' LEU . . . -77.42 -31.74 54.2 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.141 -0.481 . . . . 65.439999999999998 111.062 179.952 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -72.1 -46.04 58.31 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.187 -0.461 . . . . 73.409999999999997 111.155 179.941 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -67.65 -36.76 81.35 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.222 -0.445 . . . . 73.25 110.828 -179.978 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 25' ' ' LEU . . . . . 0.419 ' HA ' HD23 ' A' ' 25' ' ' LEU . 13.0 mt -76.77 -38.32 54.29 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.248 -0.433 . . . . 75.450000000000003 110.91 179.957 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 26' ' ' LEU . . . . . 0.458 HD12 ' O ' ' A' ' 22' ' ' ALA . 1.3 mt -50.45 -45.91 56.29 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.169 -0.469 . . . . 74.329999999999998 110.87 179.943 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 1.1 mt-10 -98.96 12.38 36.1 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.187 -0.461 . . . . 74.319999999999993 110.873 179.939 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . -59.47 -14.26 26.8 Favored Glycine 0 N--CA 1.451 -0.32 0 C-N-CA 120.769 -0.729 . . . . 70.340000000000003 112.532 179.976 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . 137.43 43.56 0.09 OUTLIER Glycine 0 N--CA 1.451 -0.356 0 C-N-CA 120.742 -0.742 . . . . 53.149999999999999 112.485 -179.94 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . -171.04 57.9 0.18 Allowed Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 120.777 -0.725 . . . . 75.219999999999999 112.495 -179.914 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . -174.49 -120.64 0.59 Allowed Glycine 0 N--CA 1.451 -0.304 0 C-N-CA 120.807 -0.711 . . . . 73.040000000000006 112.474 -179.907 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . 59.8 29.01 66.61 Favored Glycine 0 N--CA 1.452 -0.286 0 C-N-CA 120.706 -0.759 . . . . 73.230000000000004 112.493 -179.89 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -78.07 58.88 3.95 Favored Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 120.774 -0.727 . . . . 72.420000000000002 112.518 -179.906 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 95.1 -19.23 55.15 Favored Glycine 0 N--CA 1.451 -0.302 0 C-N-CA 120.726 -0.75 . . . . 60.539999999999999 112.49 -179.899 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 97.14 -18.81 56.84 Favored Glycine 0 N--CA 1.452 -0.258 0 C-N-CA 120.775 -0.726 . . . . 71.420000000000002 112.501 -179.862 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 35.8 tt0 -56.31 -35.58 67.72 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-O 120.932 0.396 . . . . 71.010000000000005 110.918 -179.843 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 30.5 tp -56.93 -47.97 79.36 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.118 -0.492 . . . . 64.239999999999995 110.97 179.985 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 38' ' ' MET . . . . . . . . . . . . . 19.2 ttm -66.79 -31.25 71.77 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.132 -0.485 . . . . 61.310000000000002 110.878 179.816 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 9.4 tttt -61.09 -27.93 68.72 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.208 -0.451 . . . . 75.420000000000002 110.896 179.956 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 40' ' ' LEU . . . . . 0.778 ' HB3' HD22 ' B' ' 51' ' ' LEU . 32.4 mt -67.6 -60.12 2.8 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.189 -0.459 . . . . 53.329999999999998 110.942 179.899 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 41' ' ' CYS . . . . . . . . . . . . . 16.0 p -60.66 -25.42 66.33 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.152 -0.476 . . . . 63.109999999999999 110.941 179.912 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 59.5 tt0 -61.78 -25.05 67.24 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.114 -0.494 . . . . 54.039999999999999 110.912 -179.885 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 2.1 mm-40 -54.48 -36.37 64.08 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.175 -0.466 . . . . 72.409999999999997 110.892 -179.984 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 44' ' ' ALA . . . . . 0.514 ' HB2' ' CZ2' ' B' ' 15' ' ' TRP . . . -51.31 -45.25 62.15 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.23 -0.441 . . . . 73.319999999999993 111.051 179.953 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -75.36 -22.65 57.38 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.2 -0.455 . . . . 61.43 111.14 179.909 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -76.09 -49.83 16.36 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.19 -0.459 . . . . 75.099999999999994 110.897 -179.962 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 10.6 mmpt? -65.86 -39.54 90.83 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.167 -0.469 . . . . 73.450000000000003 110.867 179.904 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -67.84 -45.84 73.5 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.288 -0.414 . . . . 72.349999999999994 111.05 179.839 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 4.6 tp10 -72.15 -27.96 62.93 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.2 -0.455 . . . . 74.530000000000001 110.849 -179.881 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 6.3 tt0 -71.23 -49.87 38.84 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.25 -0.432 . . . . 72.230000000000004 110.86 -179.958 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 51' ' ' LEU . . . . . 0.479 HD12 ' N ' ' A' ' 52' ' ' PHE . 4.4 pp -72.67 -33.64 66.68 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.228 -0.442 . . . . 72.129999999999995 110.963 179.982 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 52' ' ' PHE . . . . . 0.479 ' N ' HD12 ' A' ' 51' ' ' LEU . 70.8 t80 -62.86 -29.2 70.57 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.17 -0.468 . . . . 72.140000000000001 110.892 179.91 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 7.0 mmtp -59.44 -57.94 10.77 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.136 -0.484 . . . . 70.540000000000006 110.887 179.971 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 54' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -75.3 -41.47 56.89 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.196 -0.456 . . . . 73.420000000000002 110.902 179.964 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -61.66 -25.07 67.15 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.254 -0.43 . . . . 71.219999999999999 111.084 179.804 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 3.6 tt0 -52.75 -25.22 10.55 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.257 -0.429 . . . . 73.120000000000005 110.87 -179.943 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 17.2 tt0 -76.57 -55.4 5.56 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.11 -0.495 . . . . 64.0 110.899 -179.96 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 58' ' ' ARG . . . . . 0.488 ' NH1' HD13 ' B' ' 37' ' ' LEU . 0.0 OUTLIER -68.93 -10.95 59.96 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.189 -0.459 . . . . 65.140000000000001 110.922 -179.933 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 59' ' ' LEU . . . . . 0.749 HD13 ' HB2' ' A' ' 9' ' ' ALA . 11.6 mt -100.87 -64.01 1.08 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.133 -0.485 . . . . 74.129999999999995 110.957 179.955 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 13.9 mmtp -88.92 -68.6 0.76 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.145 -0.48 . . . . 71.430000000000007 110.859 179.875 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 1.9 tmtt? 179.61 -60.03 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.25 -0.432 . . . . 75.510000000000005 110.873 179.858 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER . . . . . 0 C--N 1.329 -0.318 0 CA-C-N 116.213 -0.449 . . . . 74.230000000000004 110.89 179.902 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 1' ' ' MET . . . . . . . . . . . . . 3.7 ptt? . . . . . 0 C--O 1.231 0.091 0 CA-C-O 120.842 0.353 . . . . 54.350000000000001 110.857 . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild core ' B' B ' 2' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -51.79 141.37 17.26 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.204 -0.453 . . . . 53.439999999999998 110.895 179.892 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' B' B ' 3' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -118.75 -28.94 5.49 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.179 -0.464 . . . . 74.329999999999998 110.867 179.832 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' B' B ' 4' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -176.49 -31.76 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.229 -0.441 . . . . 70.329999999999998 110.862 179.921 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' B' B ' 5' ' ' ARG . . . . . . . . . . . . . 37.3 mtt180 -51.31 -27.63 10.01 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.248 -0.433 . . . . 71.420000000000002 110.854 179.92 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 6' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -52.5 -26.43 13.01 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.233 -0.439 . . . . 64.5 110.854 -179.865 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' B' B ' 7' ' ' GLU . . . . . . . . . . . . . 1.5 mm-40 -52.94 -34.28 54.76 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.106 -0.497 . . . . 73.040000000000006 110.885 -179.946 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 8' ' ' ALA . . . . . 0.409 ' HB3' HD21 ' B' ' 59' ' ' LEU . . . -76.05 -27.97 57.47 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.129 -0.487 . . . . 71.340000000000003 111.074 179.961 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' B' B ' 9' ' ' ALA . . . . . 0.708 ' HB2' HD13 ' B' ' 59' ' ' LEU . . . -60.51 -40.2 90.57 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.295 -0.412 . . . . 30.329999999999998 111.078 179.979 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' B' B ' 10' ' ' LYS . . . . . . . . . . . . . 17.2 mtpt -55.76 -34.33 65.12 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.141 -0.481 . . . . 74.150000000000006 110.948 179.973 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 11' ' ' LEU . . . . . . . . . . . . . 32.4 mt -52.62 -42.98 65.1 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.257 -0.429 . . . . 71.200000000000003 110.931 179.879 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 12' ' ' PHE . . . . . . . . . . . . . 18.1 m-85 -74.16 -24.61 59.42 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.192 -0.458 . . . . 75.420000000000002 110.893 179.882 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 13' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -53.71 -38.04 63.87 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.214 -0.448 . . . . 73.140000000000001 110.885 -179.924 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' B' B ' 14' ' ' GLU . . . . . . . . . . . . . 5.4 mt-10 -66.23 -26.59 67.44 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.113 -0.494 . . . . 73.219999999999999 110.851 -179.894 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 15' ' ' TRP . . . . . 0.641 ' HE1' ' HB1' ' B' ' 44' ' ' ALA . 3.2 t90 -63.07 -56.2 18.99 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.169 -0.469 . . . . 73.120000000000005 110.945 179.998 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' B' B ' 16' ' ' LYS . . . . . . . . . . . . . 2.8 ptmt -71.19 -25.43 62.52 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.261 -0.427 . . . . 75.349999999999994 110.925 179.908 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 17' ' ' LYS . . . . . . . . . . . . . 4.0 tttt -75.15 -62.71 1.46 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.187 -0.46 . . . . 75.519999999999996 110.858 179.909 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 18' ' ' LEU . . . . . . . . . . . . . 3.3 mt -57.95 -24.46 58.06 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.241 -0.436 . . . . 71.310000000000002 110.926 179.935 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 19' ' ' ALA . . . . . . . . . . . . . . . -73.85 -10.06 59.28 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.223 -0.444 . . . . 75.340000000000003 111.133 179.76 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 20' ' ' GLU . . . . . . . . . . . . . 1.4 tp10 -72.97 -49.45 29.07 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.226 -0.443 . . . . 64.140000000000001 110.88 -179.875 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 21' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -53.57 -34.22 57.53 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.162 -0.472 . . . . 73.120000000000005 110.875 -179.946 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' B' B ' 22' ' ' ALA . . . . . 0.457 ' O ' HD12 ' B' ' 26' ' ' LEU . . . -77.78 -32.02 52.28 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.163 -0.472 . . . . 55.240000000000002 111.123 179.869 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' B' B ' 23' ' ' ALA . . . . . . . . . . . . . . . -71.23 -46.52 60.95 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.236 -0.438 . . . . 51.420000000000002 111.099 179.899 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 24' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -67.44 -36.91 82.14 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.183 -0.462 . . . . 73.349999999999994 110.943 179.969 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' B' B ' 25' ' ' LEU . . . . . 0.402 HD23 ' HA ' ' B' ' 25' ' ' LEU . 13.5 mt -76.76 -37.64 55.54 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.236 -0.438 . . . . 61.310000000000002 110.907 179.894 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' B' B ' 26' ' ' LEU . . . . . 0.457 HD12 ' O ' ' B' ' 22' ' ' ALA . 1.2 mt -50.37 -47.24 56.23 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.19 -0.459 . . . . 73.329999999999998 110.965 179.877 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' B' B ' 27' ' ' GLU . . . . . . . . . . . . . 1.1 mt-10 -100.01 12.32 37.14 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.157 -0.474 . . . . 73.310000000000002 110.872 179.962 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 28' ' ' GLY . . . . . . . . . . . . . . . -59.34 -14.5 26.97 Favored Glycine 0 N--CA 1.451 -0.333 0 C-N-CA 120.805 -0.712 . . . . 71.239999999999995 112.506 179.977 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 29' ' ' GLY . . . . . . . . . . . . . . . 135.04 43.79 0.11 Allowed Glycine 0 N--CA 1.451 -0.326 0 C-N-CA 120.774 -0.727 . . . . 23.440000000000001 112.5 -179.911 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 30' ' ' GLY . . . . . . . . . . . . . . . -170.81 62.47 0.17 Allowed Glycine 0 N--CA 1.45 -0.383 0 C-N-CA 120.723 -0.751 . . . . 74.129999999999995 112.478 -179.957 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 31' ' ' GLY . . . . . . . . . . . . . . . -171.61 -125.4 0.82 Allowed Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.682 -0.77 . . . . 64.140000000000001 112.408 -179.89 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 32' ' ' GLY . . . . . . . . . . . . . . . 56.48 27.97 54.93 Favored Glycine 0 N--CA 1.452 -0.287 0 C-N-CA 120.731 -0.747 . . . . 73.5 112.483 -179.925 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 33' ' ' GLY . . . . . . . . . . . . . . . -79.02 57.67 4.33 Favored Glycine 0 N--CA 1.451 -0.34 0 C-N-CA 120.748 -0.739 . . . . 24.140000000000001 112.5 -179.89 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 34' ' ' GLY . . . . . . . . . . . . . . . 92.72 -21.55 38.37 Favored Glycine 0 N--CA 1.451 -0.306 0 C-N-CA 120.72 -0.753 . . . . 60.420000000000002 112.489 -179.893 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 35' ' ' GLY . . . . . . . . . . . . . . . 95.9 -20.61 49.14 Favored Glycine 0 N--CA 1.45 -0.405 0 C-N-CA 120.805 -0.712 . . . . 75.530000000000001 112.482 -179.922 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 36' ' ' GLU . . . . . . . . . . . . . 35.7 tt0 -58.0 -39.28 77.89 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-O 120.867 0.365 . . . . 64.430000000000007 110.93 -179.886 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 37' ' ' LEU . . . . . 0.488 HD13 ' NH1' ' A' ' 58' ' ' ARG . 14.1 tp -59.54 -48.3 82.17 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.186 -0.461 . . . . 74.0 110.873 -179.998 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' B' B ' 38' ' ' MET . . . . . . . . . . . . . 25.6 ttm -66.15 -32.49 73.96 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.171 -0.468 . . . . 73.340000000000003 110.853 179.903 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 39' ' ' LYS . . . . . . . . . . . . . 9.4 tttt -58.37 -30.97 67.2 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.225 -0.443 . . . . 74.310000000000002 110.901 179.898 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 40' ' ' LEU . . . . . . . . . . . . . 24.9 mt -67.65 -60.53 2.47 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 116.194 -0.457 . . . . 74.109999999999999 110.887 179.961 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 41' ' ' CYS . . . . . . . . . . . . . 18.6 p -64.79 -24.15 67.46 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.201 -0.454 . . . . 72.140000000000001 110.895 179.916 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 42' ' ' GLU . . . . . . . . . . . . . 59.7 tt0 -66.43 -25.76 66.9 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.242 -0.436 . . . . 65.420000000000002 110.89 -179.881 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 43' ' ' GLU . . . . . . . . . . . . . 1.9 mm-40 -54.65 -44.57 73.37 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.063 -0.517 . . . . 74.140000000000001 110.846 -179.919 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 44' ' ' ALA . . . . . 0.641 ' HB1' ' HE1' ' B' ' 15' ' ' TRP . . . -51.43 -43.97 62.18 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.151 -0.477 . . . . 53.409999999999997 111.151 179.993 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' B' B ' 45' ' ' ALA . . . . . . . . . . . . . . . -75.73 -22.46 56.54 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.159 -0.473 . . . . 54.539999999999999 111.058 179.924 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 46' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -76.14 -48.49 20.4 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.297 -0.41 . . . . 74.400000000000006 110.902 179.987 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' B' B ' 47' ' ' LYS . . . . . . . . . . . . . 10.6 mmpt? -61.83 -38.73 89.28 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.183 -0.462 . . . . 74.140000000000001 110.9 179.835 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 48' ' ' ALA . . . . . 0.607 ' HB2' ' CD2' ' B' ' 15' ' ' TRP . . . -68.81 -45.07 72.21 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.189 -0.459 . . . . 65.510000000000005 111.142 179.788 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' B' B ' 49' ' ' GLU . . . . . . . . . . . . . 4.6 tp10 -70.51 -28.03 64.65 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.291 -0.413 . . . . 70.140000000000001 110.84 -179.94 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 50' ' ' GLU . . . . . . . . . . . . . 6.3 tt0 -73.21 -48.73 32.62 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.189 -0.46 . . . . 62.219999999999999 110.898 -179.862 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 51' ' ' LEU . . . . . 0.778 HD22 ' HB3' ' A' ' 40' ' ' LEU . 4.4 pp -71.17 -33.05 69.65 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.103 -0.499 . . . . 44.200000000000003 110.887 -179.979 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' B' B ' 52' ' ' PHE . . . . . 0.501 ' N ' HD12 ' B' ' 51' ' ' LEU . 69.8 t80 -64.56 -29.55 70.57 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 121.031 0.443 . . . . 75.040000000000006 110.932 179.901 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' B' B ' 53' ' ' LYS . . . . . . . . . . . . . 7.8 mmtp -60.7 -55.86 28.19 Favored 'General case' 0 C--N 1.33 -0.283 0 CA-C-N 116.205 -0.452 . . . . 75.040000000000006 110.89 179.921 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 54' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -75.17 -41.54 57.82 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.244 -0.434 . . . . 73.430000000000007 110.887 179.98 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' B' B ' 55' ' ' ALA . . . . . . . . . . . . . . . -62.69 -25.14 68.01 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.182 -0.463 . . . . 63.219999999999999 111.058 179.836 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 56' ' ' GLU . . . . . . . . . . . . . 3.9 tt0 -53.33 -25.2 14.2 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.202 -0.453 . . . . 63.119999999999997 110.902 -179.917 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 57' ' ' GLU . . . . . . . . . . . . . 18.0 tt0 -76.36 -55.4 5.59 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.153 -0.476 . . . . 64.420000000000002 110.861 -179.9 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 58' ' ' ARG . . . . . 0.424 ' HD3' ' HG ' ' B' ' 59' ' ' LEU . 0.0 OUTLIER -68.54 -11.06 59.4 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.174 -0.466 . . . . 75.140000000000001 110.878 -179.915 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' B' B ' 59' ' ' LEU . . . . . 0.708 HD13 ' HB2' ' B' ' 9' ' ' ALA . 11.6 mt -100.63 -64.43 1.05 Allowed 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 116.192 -0.458 . . . . 73.25 110.986 179.997 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' B' B ' 60' ' ' LYS . . . . . . . . . . . . . 13.0 mmtp -88.64 -68.55 0.76 Allowed 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.197 -0.456 . . . . 75.349999999999994 110.927 179.82 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 61' ' ' LYS . . . . . . . . . . . . . 2.0 tmtt? 179.61 -60.28 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.167 -0.47 . . . . 74.099999999999994 110.906 179.815 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 62' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER . . . . . 0 C--N 1.329 -0.312 0 CA-C-N 116.194 -0.457 . . . . 64.420000000000002 110.887 179.927 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.231 0.124 0 CA-C-O 120.838 0.351 . . . . 73.510000000000005 110.897 . . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -145.06 -74.89 0.23 Allowed 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.222 -0.444 . . . . 75.329999999999998 110.931 179.879 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 4' ' ' LEU . . . . . 0.773 ' O ' HD22 ' A' ' 4' ' ' LEU . 0.0 OUTLIER -140.93 4.74 1.9 Allowed 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.227 -0.442 . . . . 74.120000000000005 110.906 179.931 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 5' ' ' ARG . . . . . 0.445 ' N ' HD13 ' A' ' 4' ' ' LEU . 3.5 mtt-85 -72.01 -30.45 65.24 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.188 -0.46 . . . . 63.509999999999998 110.846 179.956 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 6' ' ' GLU . . . . . 0.43 ' CA ' HD23 ' A' ' 59' ' ' LEU . 0.1 OUTLIER -55.29 -26.63 41.53 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.211 -0.45 . . . . 64.239999999999995 110.918 -179.968 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 18.5 pt-20 -53.74 -32.17 51.21 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.117 -0.492 . . . . 74.209999999999994 110.89 -179.924 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -74.9 -28.27 60.56 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.165 -0.471 . . . . 62.32 111.123 179.918 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 9' ' ' ALA . . . . . 0.553 ' CB ' ' HB1' ' A' ' 55' ' ' ALA . . . -74.2 -38.0 63.73 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.194 -0.457 . . . . 41.310000000000002 111.102 179.922 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 1.6 mtpt -62.37 -30.45 71.2 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.28 -0.418 . . . . 70.150000000000006 110.896 179.957 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 60.4 mt -51.92 -44.66 63.95 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.222 -0.444 . . . . 73.540000000000006 110.885 179.925 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 22.5 m-85 -74.09 -27.07 60.71 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.232 -0.44 . . . . 73.400000000000006 110.891 179.891 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -54.01 -33.11 56.27 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.202 -0.453 . . . . 73.140000000000001 110.842 -179.886 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 12.4 mt-10 -69.22 -35.7 76.45 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.172 -0.467 . . . . 74.099999999999994 110.926 -179.962 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 15' ' ' TRP . . . . . 0.711 ' HB3' ' HB2' ' A' ' 48' ' ' ALA . 4.2 t90 -64.74 -43.82 92.1 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.202 -0.454 . . . . 74.450000000000003 110.905 -179.985 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 5.3 ptmt -77.25 -28.17 53.5 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.286 -0.416 . . . . 72.230000000000004 110.879 179.918 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 19.3 mmtt -74.97 -54.62 6.88 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.187 -0.461 . . . . 54.43 110.921 179.904 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 21.6 mt -54.78 -33.61 61.6 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.192 -0.458 . . . . 54.329999999999998 110.952 179.904 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 19' ' ' ALA . . . . . 0.473 ' HB2' ' HB3' ' A' ' 44' ' ' ALA . . . -65.94 -26.85 67.77 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.189 -0.46 . . . . 74.040000000000006 111.085 179.829 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 1.4 tp10 -73.48 -49.4 26.91 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.206 -0.452 . . . . 70.25 110.923 -179.961 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 2.0 mm-40 -73.07 -49.65 27.39 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.164 -0.471 . . . . 60.020000000000003 110.906 -179.957 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -55.6 -30.67 61.3 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.162 -0.472 . . . . 73.049999999999997 111.161 179.907 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -71.1 -54.26 11.72 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.183 -0.462 . . . . 75.200000000000003 111.084 179.958 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 1.4 ptpp? -63.06 -34.47 77.65 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.255 -0.429 . . . . 75.519999999999996 110.871 179.981 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 25' ' ' LEU . . . . . 0.44 HD23 ' HA ' ' A' ' 25' ' ' LEU . 6.4 mt -76.79 -39.18 52.38 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.265 -0.425 . . . . 62.43 110.897 179.95 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 2.8 mt -50.69 -49.32 57.7 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.169 -0.469 . . . . 41.310000000000002 110.945 179.893 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 23.9 mt-10 -91.39 13.19 18.19 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.233 -0.44 . . . . 73.409999999999997 110.847 179.939 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . -73.9 60.51 2.15 Favored Glycine 0 N--CA 1.451 -0.336 0 C-N-CA 120.778 -0.725 . . . . 52.100000000000001 112.534 179.989 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . 51.71 39.82 47.32 Favored Glycine 0 N--CA 1.451 -0.339 0 C-N-CA 120.777 -0.725 . . . . 43.100000000000001 112.468 -179.911 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . -90.29 -51.21 2.8 Favored Glycine 0 N--CA 1.45 -0.38 0 C-N-CA 120.711 -0.757 . . . . 64.329999999999998 112.539 -179.921 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . -158.84 -47.6 0.01 OUTLIER Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 120.736 -0.745 . . . . 24.120000000000001 112.438 -179.924 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . -173.49 -110.75 0.25 Allowed Glycine 0 N--CA 1.451 -0.316 0 C-N-CA 120.753 -0.737 . . . . 72.239999999999995 112.517 -179.921 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . 74.32 116.65 0.09 OUTLIER Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 120.693 -0.765 . . . . 34.310000000000002 112.541 -179.854 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 169.49 85.16 0.06 OUTLIER Glycine 0 N--CA 1.451 -0.341 0 C-N-CA 120.706 -0.759 . . . . 74.329999999999998 112.458 -179.874 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 143.59 -132.52 4.98 Favored Glycine 0 N--CA 1.452 -0.285 0 C-N-CA 120.691 -0.766 . . . . 74.329999999999998 112.485 -179.865 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -71.09 -35.79 71.97 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-O 120.849 0.356 . . . . 72.430000000000007 110.849 -179.842 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 37' ' ' LEU . . . . . 0.749 HD13 ' HG ' ' B' ' 54' ' ' LEU . 13.1 tp -52.39 -56.67 13.4 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.146 -0.479 . . . . 74.420000000000002 110.934 179.992 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 38' ' ' MET . . . . . . . . . . . . . 1.0 OUTLIER -70.54 -25.56 63.16 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.16 -0.473 . . . . 50.549999999999997 110.892 179.844 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 6.3 tttp -54.12 -28.09 37.51 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.279 -0.419 . . . . 75.239999999999995 110.885 179.943 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 40' ' ' LEU . . . . . 0.544 ' HB2' HD21 ' B' ' 51' ' ' LEU . 13.1 mt -70.46 -31.34 68.45 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.211 -0.449 . . . . 60.100000000000001 110.911 179.921 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 41' ' ' CYS . . . . . . . . . . . . . 19.0 m -75.04 -45.42 41.75 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.165 -0.47 . . . . 65.109999999999999 110.872 179.92 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 4.6 tt0 -56.69 -25.66 54.68 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.248 -0.433 . . . . 71.530000000000001 110.868 -179.846 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 4.7 mm-40 -54.71 -33.97 61.73 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.196 -0.456 . . . . 44.229999999999997 110.9 -179.92 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 44' ' ' ALA . . . . . 0.649 ' HB1' ' CD1' ' A' ' 15' ' ' TRP . . . -51.61 -42.11 61.75 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.171 -0.468 . . . . 72.409999999999997 111.106 179.897 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -75.27 -22.85 57.49 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.157 -0.474 . . . . 63.329999999999998 111.095 179.95 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -74.49 -47.89 30.53 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.223 -0.444 . . . . 71.109999999999999 110.921 179.932 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 1.1 mptp? -59.82 -57.18 14.03 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.182 -0.463 . . . . 63.43 110.852 179.908 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 48' ' ' ALA . . . . . 0.711 ' HB2' ' HB3' ' A' ' 15' ' ' TRP . . . -51.91 -34.89 43.51 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.282 -0.417 . . . . 70.310000000000002 111.042 179.839 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 4.0 tt0 -65.13 -44.33 89.03 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.199 -0.455 . . . . 54.119999999999997 110.9 -179.865 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 17.9 mm-40 -74.07 -35.13 64.23 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.125 -0.489 . . . . 72.299999999999997 110.901 -179.918 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 51' ' ' LEU . . . . . 0.558 HD21 ' HB2' ' B' ' 40' ' ' LEU . 9.2 mt -72.64 -34.1 67.05 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.116 -0.493 . . . . 73.230000000000004 110.862 -179.959 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 52' ' ' PHE . . . . . . . . . . . . . 84.2 t80 -55.69 -27.98 53.16 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.152 -0.476 . . . . 75.200000000000003 110.897 179.953 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -53.48 -46.76 70.1 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.167 -0.469 . . . . 74.230000000000004 110.949 179.942 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 54' ' ' LEU . . . . . 0.496 ' HG ' HD13 ' B' ' 37' ' ' LEU . 1.6 mm? -71.89 -29.39 64.29 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.212 -0.449 . . . . 62.329999999999998 110.88 179.891 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 55' ' ' ALA . . . . . 0.553 ' HB1' ' CB ' ' A' ' 9' ' ' ALA . . . -54.24 -28.67 42.96 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.158 -0.474 . . . . 75.510000000000005 111.133 179.836 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 3.2 mm-40 -77.14 -31.29 55.58 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.237 -0.438 . . . . 63.329999999999998 110.878 -179.919 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -60.78 -44.54 96.65 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.159 -0.473 . . . . 74.209999999999994 110.935 -179.971 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -79.29 -25.62 42.4 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.136 -0.484 . . . . 73.209999999999994 110.901 -179.964 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 59' ' ' LEU . . . . . 0.483 ' C ' HD13 ' A' ' 59' ' ' LEU . 3.4 tm? -84.03 -73.64 0.41 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.117 -0.492 . . . . 54.140000000000001 110.926 -179.999 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -103.49 -174.85 2.64 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.174 -0.466 . . . . 75.150000000000006 110.909 179.831 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 8.1 ttpt -98.62 -25.52 14.69 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.214 -0.448 . . . . 74.530000000000001 110.915 179.858 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER . . . . . 0 C--N 1.328 -0.356 0 CA-C-N 116.219 -0.446 . . . . 74.049999999999997 110.904 179.894 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 1' ' ' MET . . . . . 0.502 ' N ' HD11 ' B' ' 59' ' ' LEU . 11.1 ttp . . . . . 0 C--O 1.231 0.083 0 CA-C-O 120.901 0.381 . . . . 74.420000000000002 110.865 . . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 2' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -114.24 -74.4 0.62 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.162 -0.472 . . . . 74.329999999999998 110.847 179.969 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' B' B ' 3' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -146.06 -74.58 0.22 Allowed 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.311 -0.404 . . . . 75.120000000000005 110.9 179.902 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' B' B ' 4' ' ' LEU . . . . . 0.771 HD22 ' O ' ' B' ' 4' ' ' LEU . 0.0 OUTLIER -140.71 4.86 1.95 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.25 -0.432 . . . . 72.299999999999997 110.877 179.946 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' B' B ' 5' ' ' ARG . . . . . 0.44 ' N ' HD13 ' B' ' 4' ' ' LEU . 3.5 mtt-85 -72.04 -29.88 64.62 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.195 -0.457 . . . . 75.310000000000002 110.828 179.973 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' B' B ' 6' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -54.88 -26.96 39.11 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.219 -0.446 . . . . 72.200000000000003 110.867 -179.964 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' B' B ' 7' ' ' GLU . . . . . . . . . . . . . 18.8 pt-20 -54.01 -32.61 54.76 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.107 -0.497 . . . . 71.219999999999999 110.869 -179.913 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 8' ' ' ALA . . . . . . . . . . . . . . . -74.74 -26.81 60.04 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.151 -0.477 . . . . 71.510000000000005 111.092 179.92 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 9' ' ' ALA . . . . . 0.596 ' CB ' ' HB1' ' B' ' 55' ' ' ALA . . . -73.6 -38.96 64.94 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.265 -0.425 . . . . 72.040000000000006 111.122 179.955 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' B' B ' 10' ' ' LYS . . . . . . . . . . . . . 1.6 mtpt -63.11 -29.81 71.1 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.176 -0.465 . . . . 72.109999999999999 110.906 179.933 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 11' ' ' LEU . . . . . . . . . . . . . 61.0 mt -51.67 -44.11 62.93 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.252 -0.431 . . . . 72.519999999999996 110.957 179.872 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 12' ' ' PHE . . . . . 0.587 ' O ' ' HB1' ' B' ' 48' ' ' ALA . 25.3 m-85 -74.21 -30.5 62.23 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.191 -0.459 . . . . 73.219999999999999 110.91 179.873 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' B' B ' 13' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -57.89 -42.21 84.16 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.134 -0.485 . . . . 61.340000000000003 110.912 -179.949 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' B' B ' 14' ' ' GLU . . . . . . . . . . . . . 12.7 mt-10 -75.22 -29.99 60.44 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.142 -0.481 . . . . 74.25 110.83 -179.93 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 15' ' ' TRP . . . . . . . . . . . . . 1.3 m0 -60.98 -46.15 91.93 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.216 -0.447 . . . . 73.530000000000001 110.947 -179.922 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 16' ' ' LYS . . . . . 0.72 ' HB3' ' HB3' ' B' ' 48' ' ' ALA . 5.1 ptmt -77.11 -25.32 52.05 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.222 -0.444 . . . . 74.420000000000002 110.852 179.901 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' B' B ' 17' ' ' LYS . . . . . . . . . . . . . 18.0 mmtt -71.7 -52.37 18.15 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.278 -0.419 . . . . 74.430000000000007 110.896 179.936 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 18' ' ' LEU . . . . . . . . . . . . . 19.7 mt -55.16 -32.62 62.28 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.236 -0.438 . . . . 73.340000000000003 110.928 179.889 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 19' ' ' ALA . . . . . 0.5 ' HB2' ' HB3' ' B' ' 44' ' ' ALA . . . -62.86 -21.86 66.28 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.219 -0.446 . . . . 62.350000000000001 111.178 179.75 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' B' B ' 20' ' ' GLU . . . . . . . . . . . . . 1.4 tp10 -73.02 -49.43 28.85 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.182 -0.463 . . . . 53.149999999999999 110.95 -179.973 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 21' ' ' GLU . . . . . . . . . . . . . 2.0 mm-40 -72.27 -49.21 36.6 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.118 -0.492 . . . . 73.129999999999995 110.925 -179.947 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 22' ' ' ALA . . . . . . . . . . . . . . . -56.39 -30.92 63.34 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.065 -0.516 . . . . 70.120000000000005 111.163 179.873 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 23' ' ' ALA . . . . . . . . . . . . . . . -70.96 -54.22 12.08 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.186 -0.461 . . . . 62.450000000000003 111.033 179.937 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 24' ' ' LYS . . . . . . . . . . . . . 1.4 ptpp? -62.74 -34.97 78.3 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.253 -0.43 . . . . 53.229999999999997 110.889 -179.996 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 25' ' ' LEU . . . . . 0.434 HD23 ' HA ' ' B' ' 25' ' ' LEU . 6.7 mt -76.51 -39.06 54.14 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.249 -0.432 . . . . 55.229999999999997 110.974 179.885 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' B' B ' 26' ' ' LEU . . . . . . . . . . . . . 2.7 mt -50.72 -49.07 58.57 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.173 -0.467 . . . . 71.120000000000005 110.915 179.92 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 27' ' ' GLU . . . . . . . . . . . . . 23.9 mt-10 -91.37 13.09 18.44 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.236 -0.438 . . . . 75.310000000000002 110.912 179.893 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 28' ' ' GLY . . . . . . . . . . . . . . . -73.9 60.62 2.15 Favored Glycine 0 N--CA 1.451 -0.332 0 C-N-CA 120.696 -0.764 . . . . 61.549999999999997 112.573 -179.958 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 29' ' ' GLY . . . . . . . . . . . . . . . 52.03 39.7 49.64 Favored Glycine 0 N--CA 1.451 -0.352 0 C-N-CA 120.704 -0.76 . . . . 34.140000000000001 112.467 -179.974 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 30' ' ' GLY . . . . . . . . . . . . . . . -90.34 -48.89 3.39 Favored Glycine 0 N--CA 1.451 -0.33 0 C-N-CA 120.8 -0.714 . . . . 54.539999999999999 112.469 -179.838 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 31' ' ' GLY . . . . . . . . . . . . . . . -156.67 -46.42 0.01 OUTLIER Glycine 0 N--CA 1.452 -0.296 0 C-N-CA 120.699 -0.763 . . . . 20.210000000000001 112.454 -179.93 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 32' ' ' GLY . . . . . . . . . . . . . . . -172.82 -111.92 0.27 Allowed Glycine 0 N--CA 1.451 -0.325 0 C-N-CA 120.694 -0.765 . . . . 74.230000000000004 112.445 -179.884 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 33' ' ' GLY . . . . . . . . . . . . . . . 73.46 116.84 0.07 OUTLIER Glycine 0 N--CA 1.451 -0.33 0 C-N-CA 120.753 -0.737 . . . . 72.420000000000002 112.562 -179.856 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 34' ' ' GLY . . . . . . . . . . . . . . . 169.57 84.53 0.06 OUTLIER Glycine 0 N--CA 1.451 -0.348 0 C-N-CA 120.758 -0.734 . . . . 35.229999999999997 112.469 -179.83 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 35' ' ' GLY . . . . . . . . . . . . . . . 142.72 -132.1 4.93 Favored Glycine 0 N--CA 1.45 -0.385 0 C-N-CA 120.726 -0.75 . . . . 62.219999999999999 112.431 -179.951 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 36' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -70.71 -34.74 72.26 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-O 120.917 0.389 . . . . 65.439999999999998 110.877 -179.837 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' B' B ' 37' ' ' LEU . . . . . 0.496 HD13 ' HG ' ' A' ' 54' ' ' LEU . 13.1 tp -52.08 -55.06 23.14 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.12 -0.491 . . . . 71.129999999999995 110.939 179.995 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' B' B ' 38' ' ' MET . . . . . . . . . . . . . 1.0 OUTLIER -69.72 -26.37 64.3 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.187 -0.46 . . . . 71.430000000000007 110.931 179.818 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' B' B ' 39' ' ' LYS . . . . . . . . . . . . . 6.2 tttp -55.19 -29.02 57.06 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.2 -0.454 . . . . 73.099999999999994 110.884 179.871 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 40' ' ' LEU . . . . . 0.558 ' HB2' HD21 ' A' ' 51' ' ' LEU . 13.3 mt -72.27 -26.76 62.11 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.223 -0.444 . . . . 73.140000000000001 110.966 179.962 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' B' B ' 41' ' ' CYS . . . . . . . . . . . . . 13.5 m -75.26 -43.58 50.61 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.187 -0.46 . . . . 65.230000000000004 110.839 179.873 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 42' ' ' GLU . . . . . . . . . . . . . 4.6 tt0 -55.69 -25.3 39.13 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.22 -0.445 . . . . 74.340000000000003 110.837 -179.842 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 43' ' ' GLU . . . . . . . . . . . . . 4.5 mm-40 -54.38 -33.41 59.16 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.154 -0.475 . . . . 70.099999999999994 110.851 -179.851 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 44' ' ' ALA . . . . . 0.5 ' HB3' ' HB2' ' B' ' 19' ' ' ALA . . . -51.41 -42.52 61.52 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.153 -0.476 . . . . 73.329999999999998 111.051 179.961 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' B' B ' 45' ' ' ALA . . . . . . . . . . . . . . . -75.47 -22.94 56.84 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.257 -0.429 . . . . 64.120000000000005 111.108 179.976 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 46' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -78.04 -49.51 13.87 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.25 -0.432 . . . . 75.25 110.961 179.919 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' B' B ' 47' ' ' LYS . . . . . . . . . . . . . 1.1 mptp? -55.73 -61.17 2.54 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.263 -0.426 . . . . 71.120000000000005 110.822 179.835 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 48' ' ' ALA . . . . . 0.72 ' HB3' ' HB3' ' B' ' 16' ' ' LYS . . . -54.62 -34.33 61.92 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.294 -0.412 . . . . 64.310000000000002 111.142 179.859 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' B' B ' 49' ' ' GLU . . . . . . . . . . . . . 3.9 tt0 -66.89 -43.0 84.58 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.215 -0.448 . . . . 71.120000000000005 110.823 -179.864 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 50' ' ' GLU . . . . . . . . . . . . . 18.0 mm-40 -73.03 -36.16 66.91 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.191 -0.459 . . . . 74.450000000000003 110.852 -179.911 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 51' ' ' LEU . . . . . 0.544 HD21 ' HB2' ' A' ' 40' ' ' LEU . 7.6 mt -72.97 -30.57 63.93 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.222 -0.445 . . . . 65.329999999999998 110.965 179.977 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' B' B ' 52' ' ' PHE . . . . . . . . . . . . . 82.1 t80 -57.12 -23.91 50.39 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.173 -0.467 . . . . 75.519999999999996 110.887 179.943 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 53' ' ' LYS . . . . . 0.575 ' HD2' HD22 ' B' ' 54' ' ' LEU . 0.1 OUTLIER -66.43 -47.94 71.59 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.178 -0.465 . . . . 74.430000000000007 110.961 179.912 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' B' B ' 54' ' ' LEU . . . . . 0.749 ' HG ' HD13 ' A' ' 37' ' ' LEU . 1.3 mm? -69.29 -25.59 64.32 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.259 -0.428 . . . . 74.329999999999998 110.932 179.864 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' B' B ' 55' ' ' ALA . . . . . 0.596 ' HB1' ' CB ' ' B' ' 9' ' ' ALA . . . -55.35 -26.95 44.06 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.207 -0.451 . . . . 75.109999999999999 111.078 179.762 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' B' B ' 56' ' ' GLU . . . . . . . . . . . . . 3.2 mm-40 -76.46 -30.85 57.49 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.205 -0.452 . . . . 74.319999999999993 110.872 -179.895 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 57' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -60.57 -44.62 95.99 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.168 -0.469 . . . . 73.540000000000006 110.872 -179.931 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' B' B ' 58' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -79.39 -25.67 42.1 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.154 -0.475 . . . . 64.209999999999994 110.857 -179.899 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' B' B ' 59' ' ' LEU . . . . . 0.502 HD11 ' N ' ' B' ' 1' ' ' MET . 3.4 tm? -83.93 -73.36 0.42 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.19 -0.459 . . . . 74.420000000000002 110.933 -179.942 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' B' B ' 60' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -103.66 -174.77 2.62 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.165 -0.47 . . . . 70.049999999999997 110.848 179.839 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' B' B ' 61' ' ' LYS . . . . . . . . . . . . . 8.1 ttpt -98.33 -25.45 14.83 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.203 -0.453 . . . . 74.040000000000006 110.832 179.886 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 62' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER . . . . . 0 C--N 1.328 -0.357 0 CA-C-N 116.243 -0.435 . . . . 74.209999999999994 110.914 179.962 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 4.0 pttt . . . . . 0 C--O 1.231 0.115 0 CA-C-O 120.804 0.335 . . . . 75.150000000000006 110.946 . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild core ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -137.32 -74.42 0.42 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.229 -0.441 . . . . 75.340000000000003 110.838 179.866 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 4' ' ' LEU . . . . . 0.77 ' O ' HD22 ' A' ' 4' ' ' LEU . 0.0 OUTLIER -140.51 4.57 1.97 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.282 -0.417 . . . . 72.150000000000006 110.916 179.982 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 5' ' ' ARG . . . . . 0.453 ' N ' HD13 ' A' ' 4' ' ' LEU . 97.4 mtt180 -71.59 -38.63 70.87 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.218 -0.447 . . . . 75.049999999999997 110.868 179.945 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 6' ' ' GLU . . . . . 0.819 ' HA ' HD22 ' A' ' 59' ' ' LEU . 0.2 OUTLIER -53.63 -27.95 30.07 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.148 -0.478 . . . . 71.439999999999998 110.845 -179.894 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 16.9 mt-10 -53.81 -34.09 58.08 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.183 -0.462 . . . . 60.119999999999997 110.903 -179.959 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -76.12 -26.99 56.91 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.201 -0.454 . . . . 52.32 111.064 179.966 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 9' ' ' ALA . . . . . 0.828 ' HB2' HD13 ' A' ' 59' ' ' LEU . . . -57.17 -42.26 80.8 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.183 -0.462 . . . . 52.020000000000003 111.063 179.974 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 11.8 mttm -55.88 -34.66 65.71 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.177 -0.465 . . . . 53.240000000000002 110.871 -179.998 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 35.5 mt -52.1 -43.73 64.07 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.258 -0.428 . . . . 64.099999999999994 110.946 179.939 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 21.6 m-85 -74.13 -24.66 59.47 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.185 -0.461 . . . . 74.310000000000002 110.913 179.912 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -53.58 -35.01 60.35 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.076 -0.511 . . . . 75.120000000000005 110.959 -179.975 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 5.9 mt-10 -63.87 -33.86 76.65 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.111 -0.495 . . . . 71.030000000000001 110.872 -179.923 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 15' ' ' TRP . . . . . 0.59 ' HB3' ' HB2' ' A' ' 48' ' ' ALA . 2.8 t90 -65.09 -47.55 76.84 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.108 -0.496 . . . . 72.129999999999995 110.889 -179.962 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 4.9 ptmt -75.52 -27.37 58.69 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.209 -0.451 . . . . 64.430000000000007 110.861 179.983 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER -75.17 -58.5 3.25 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.278 -0.419 . . . . 54.240000000000002 110.924 179.875 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 17.0 mt -55.68 -26.0 42.66 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.272 -0.422 . . . . 74.329999999999998 110.905 179.915 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 19' ' ' ALA . . . . . 0.71 ' HB1' ' HB2' ' A' ' 45' ' ' ALA . . . -71.86 -25.74 62.07 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.141 -0.481 . . . . 72.150000000000006 111.047 179.801 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 1.2 mt-10 -73.44 -49.29 27.68 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.262 -0.426 . . . . 75.549999999999997 110.871 -179.87 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 2.6 mm-40 -72.92 -51.14 19.7 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.157 -0.474 . . . . 64.219999999999999 110.874 -179.927 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -54.25 -30.63 51.05 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.14 -0.482 . . . . 65.109999999999999 111.095 179.949 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -70.82 -54.26 12.23 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.248 -0.433 . . . . 74.140000000000001 111.143 179.873 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 6.1 ptmm? -63.91 -33.84 76.62 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.196 -0.456 . . . . 72.230000000000004 110.9 179.931 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 5.6 mt -76.68 -39.89 50.66 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.228 -0.442 . . . . 75.209999999999994 110.962 179.901 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 3.1 mt -50.76 -49.8 57.2 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.186 -0.461 . . . . 73.510000000000005 110.905 179.889 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 24.8 mt-10 -90.96 12.47 19.52 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.241 -0.436 . . . . 71.530000000000001 110.832 179.954 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . -58.59 -15.21 24.62 Favored Glycine 0 N--CA 1.451 -0.341 0 C-N-CA 120.726 -0.75 . . . . 63.350000000000001 112.507 -179.952 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . 140.02 49.99 0.05 OUTLIER Glycine 0 N--CA 1.452 -0.267 0 C-N-CA 120.755 -0.736 . . . . 32.240000000000002 112.515 -179.904 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . -94.15 46.88 2.21 Favored Glycine 0 N--CA 1.452 -0.295 0 C-N-CA 120.808 -0.71 . . . . 62.030000000000001 112.542 -179.949 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . 52.03 -167.46 0.82 Allowed Glycine 0 N--CA 1.451 -0.346 0 C-N-CA 120.758 -0.734 . . . . 75.430000000000007 112.504 -179.879 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . -126.09 122.66 4.54 Favored Glycine 0 N--CA 1.451 -0.31 0 C-N-CA 120.77 -0.729 . . . . 74.129999999999995 112.498 -179.94 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -179.57 32.74 0.06 OUTLIER Glycine 0 N--CA 1.451 -0.308 0 C-N-CA 120.743 -0.741 . . . . 41.210000000000001 112.55 -179.974 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 34' ' ' GLY . . . . . 0.633 ' HA3' HD23 ' A' ' 37' ' ' LEU . . . -159.19 -65.29 0.01 OUTLIER Glycine 0 N--CA 1.452 -0.279 0 C-N-CA 120.755 -0.736 . . . . 52.240000000000002 112.492 -179.913 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 74.55 -87.25 0.72 Allowed Glycine 0 N--CA 1.45 -0.378 0 C-N-CA 120.713 -0.756 . . . . 65.120000000000005 112.483 -179.931 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 29.0 tt0 -57.78 -20.26 34.05 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.884 0.373 . . . . 72.420000000000002 110.873 -179.909 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 37' ' ' LEU . . . . . 0.64 HD13 ' NH2' ' B' ' 58' ' ' ARG . 0.4 OUTLIER -50.85 -27.73 8.01 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.197 -0.456 . . . . 73.230000000000004 110.94 179.979 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 38' ' ' MET . . . . . . . . . . . . . 0.6 OUTLIER -61.75 -38.94 89.83 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.235 -0.439 . . . . 74.420000000000002 110.895 179.82 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 8.6 tttt -56.63 -27.96 59.5 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.173 -0.467 . . . . 74.209999999999994 110.933 179.924 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 3.7 mt -73.99 -39.75 63.43 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.207 -0.451 . . . . 53.200000000000003 110.977 179.884 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 41' ' ' CYS . . . . . . . . . . . . . 17.2 m -72.52 -35.37 68.07 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.154 -0.476 . . . . 61.399999999999999 110.834 179.935 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -63.71 -25.46 68.21 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.191 -0.459 . . . . 64.219999999999999 110.884 -179.835 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 2.3 mt-10 -54.49 -40.88 68.94 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.215 -0.448 . . . . 70.239999999999995 110.87 -179.948 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 44' ' ' ALA . . . . . 0.468 ' HB2' ' CZ3' ' B' ' 15' ' ' TRP . . . -51.4 -42.47 61.45 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.162 -0.472 . . . . 63.32 111.163 179.875 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 45' ' ' ALA . . . . . 0.71 ' HB2' ' HB1' ' A' ' 19' ' ' ALA . . . -75.55 -22.77 56.76 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.185 -0.461 . . . . 62.119999999999997 111.092 179.984 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 3.9 tttt -76.23 -46.61 27.35 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.192 -0.458 . . . . 75.420000000000002 110.875 179.979 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 7.2 mmpt? -54.14 -55.03 31.69 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.19 -0.459 . . . . 72.230000000000004 110.887 179.89 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 48' ' ' ALA . . . . . 0.59 ' HB2' ' HB3' ' A' ' 15' ' ' TRP . . . -54.95 -37.99 67.17 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.19 -0.459 . . . . 73.420000000000002 111.089 179.849 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 1.1 tp10 -61.22 -40.07 92.62 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.204 -0.453 . . . . 74.200000000000003 110.874 -179.946 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 4.3 mt-10 -73.96 -43.74 57.2 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.194 -0.457 . . . . 73.349999999999994 110.903 -179.923 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 4.1 mt -62.88 -57.49 10.65 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.124 -0.489 . . . . 65.409999999999997 110.939 -179.946 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 52' ' ' PHE . . . . . . . . . . . . . 33.2 t80 -55.3 -29.4 58.16 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.162 -0.472 . . . . 74.140000000000001 110.904 179.869 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 7.7 tptp -54.55 -59.18 5.04 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.175 -0.466 . . . . 64.299999999999997 110.959 179.958 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 54' ' ' LEU . . . . . . . . . . . . . 4.4 mm? -75.57 -25.57 57.18 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.278 -0.419 . . . . 63.520000000000003 110.922 179.879 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -56.01 -31.5 63.12 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.123 -0.49 . . . . 53.509999999999998 111.081 179.814 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 56' ' ' GLU . . . . . 0.451 ' HB2' HD11 ' A' ' 62' ' ' LEU . 1.4 mt-10 -61.9 -28.54 69.59 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.203 -0.453 . . . . 71.019999999999996 110.894 -179.93 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 71.7 tt0 -73.51 -46.41 48.02 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.165 -0.47 . . . . 71.450000000000003 110.895 -179.932 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -79.57 -13.16 59.72 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.176 -0.465 . . . . 74.230000000000004 110.878 -179.969 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 59' ' ' LEU . . . . . 0.828 HD13 ' HB2' ' A' ' 9' ' ' ALA . 46.7 mt -106.72 -6.9 17.53 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.179 -0.464 . . . . 74.230000000000004 110.912 -179.943 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -146.14 -165.58 2.25 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.172 -0.467 . . . . 74.239999999999995 110.919 179.903 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 13.8 tttt -93.36 -54.01 3.85 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.251 -0.431 . . . . 61.399999999999999 110.894 179.786 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 62' ' ' LEU . . . . . 0.451 HD11 ' HB2' ' A' ' 56' ' ' GLU . 12.4 mt . . . . . 0 C--N 1.329 -0.318 0 CA-C-N 116.239 -0.437 . . . . 72.209999999999994 110.965 -179.971 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 1' ' ' MET . . . . . . . . . . . . . 0.9 OUTLIER . . . . . 0 C--O 1.231 0.083 0 CA-C-O 120.826 0.346 . . . . 72.319999999999993 110.885 . . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 2' ' ' LYS . . . . . . . . . . . . . 4.0 pttt -174.19 161.83 3.6 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.213 -0.449 . . . . 75.329999999999998 110.904 179.958 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 3' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -137.55 -74.55 0.41 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.185 -0.462 . . . . 62.119999999999997 110.851 179.842 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' B' B ' 4' ' ' LEU . . . . . 0.773 HD22 ' O ' ' B' ' 4' ' ' LEU . 0.0 OUTLIER -140.32 4.49 2.01 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.197 -0.456 . . . . 73.5 110.902 179.994 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' B' B ' 5' ' ' ARG . . . . . 0.469 ' HB3' HD23 ' B' ' 59' ' ' LEU . 97.3 mtt180 -71.42 -38.55 71.4 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.219 -0.446 . . . . 53.049999999999997 110.877 179.953 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' B' B ' 6' ' ' GLU . . . . . 0.828 ' HA ' HD22 ' B' ' 59' ' ' LEU . 0.3 OUTLIER -53.48 -27.92 27.89 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.142 -0.481 . . . . 71.430000000000007 110.938 -179.966 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' B' B ' 7' ' ' GLU . . . . . . . . . . . . . 16.9 mt-10 -53.72 -34.23 58.2 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.104 -0.498 . . . . 63.039999999999999 110.921 -179.964 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 8' ' ' ALA . . . . . . . . . . . . . . . -75.58 -26.97 58.35 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.144 -0.48 . . . . 52.409999999999997 111.074 179.983 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 9' ' ' ALA . . . . . 0.808 ' HB2' HD13 ' B' ' 59' ' ' LEU . . . -57.49 -42.33 82.5 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.255 -0.429 . . . . 54.299999999999997 111.132 179.97 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' B' B ' 10' ' ' LYS . . . . . . . . . . . . . 12.0 mttm -55.95 -33.96 65.23 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.294 -0.412 . . . . 74.510000000000005 110.934 179.92 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 11' ' ' LEU . . . . . . . . . . . . . 41.5 mt -51.67 -42.87 62.46 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.212 -0.449 . . . . 74.439999999999998 110.996 179.868 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 12' ' ' PHE . . . . . 0.544 ' CE1' HD13 ' B' ' 51' ' ' LEU . 24.8 m-85 -74.22 -29.0 61.51 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.16 -0.473 . . . . 75.5 110.952 179.887 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' B' B ' 13' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -58.6 -46.46 86.95 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.07 -0.514 . . . . 61.210000000000001 110.877 -179.925 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' B' B ' 14' ' ' GLU . . . . . . . . . . . . . 6.3 mt-10 -75.17 -27.99 59.9 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.175 -0.466 . . . . 74.25 110.84 -179.94 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 15' ' ' TRP . . . . . 0.468 ' CZ3' ' HB2' ' A' ' 44' ' ' ALA . 2.6 m0 -55.84 -55.36 33.42 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.178 -0.465 . . . . 72.519999999999996 110.895 -179.89 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' B' B ' 16' ' ' LYS . . . . . 0.711 ' HB3' ' HB3' ' B' ' 48' ' ' ALA . 4.8 ptmt -71.78 -19.64 61.98 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.186 -0.461 . . . . 75.349999999999994 110.929 179.972 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' B' B ' 17' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -70.75 -53.79 14.19 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.176 -0.465 . . . . 63.5 110.88 179.907 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' B' B ' 18' ' ' LEU . . . . . . . . . . . . . 21.8 mt -55.8 -26.28 45.53 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.215 -0.448 . . . . 61.109999999999999 110.946 179.9 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 19' ' ' ALA . . . . . . . . . . . . . . . -72.98 -25.65 61.07 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.206 -0.452 . . . . 52.32 111.103 179.775 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 20' ' ' GLU . . . . . . . . . . . . . 1.1 mt-10 -73.19 -49.35 28.53 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.234 -0.439 . . . . 72.019999999999996 110.905 -179.933 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 21' ' ' GLU . . . . . . . . . . . . . 2.6 mm-40 -72.71 -51.16 20.43 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.137 -0.483 . . . . 70.219999999999999 110.972 179.995 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 22' ' ' ALA . . . . . . . . . . . . . . . -54.25 -30.64 51.16 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.119 -0.492 . . . . 71.510000000000005 111.109 179.933 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 23' ' ' ALA . . . . . . . . . . . . . . . -70.81 -54.23 12.38 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.197 -0.456 . . . . 64.209999999999994 111.124 179.881 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 24' ' ' LYS . . . . . . . . . . . . . 6.1 ptmm? -64.01 -33.87 76.73 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.168 -0.469 . . . . 65.409999999999997 110.912 179.943 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 25' ' ' LEU . . . . . 0.429 HD23 ' HA ' ' B' ' 25' ' ' LEU . 5.7 mt -76.7 -39.64 51.34 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.229 -0.441 . . . . 64.420000000000002 110.938 179.896 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' B' B ' 26' ' ' LEU . . . . . . . . . . . . . 3.0 mt -50.66 -50.18 55.28 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.231 -0.44 . . . . 72.409999999999997 110.95 179.876 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 27' ' ' GLU . . . . . . . . . . . . . 23.9 mt-10 -90.98 12.11 20.72 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.197 -0.456 . . . . 53.130000000000003 110.857 179.924 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 28' ' ' GLY . . . . . . . . . . . . . . . -58.91 -15.03 26.34 Favored Glycine 0 N--CA 1.45 -0.411 0 C-N-CA 120.768 -0.729 . . . . 70.239999999999995 112.54 -179.951 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 29' ' ' GLY . . . . . . . . . . . . . . . 135.74 42.72 0.11 Allowed Glycine 0 N--CA 1.452 -0.267 0 C-N-CA 120.729 -0.748 . . . . 72.010000000000005 112.483 -179.919 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 30' ' ' GLY . . . . . . . . . . . . . . . -101.75 54.83 0.76 Allowed Glycine 0 N--CA 1.451 -0.33 0 C-N-CA 120.697 -0.763 . . . . 62.43 112.442 -179.905 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 31' ' ' GLY . . . . . . . . . . . . . . . 58.95 -143.58 45.43 Favored Glycine 0 N--CA 1.452 -0.3 0 C-N-CA 120.777 -0.725 . . . . 63.329999999999998 112.431 -179.925 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 32' ' ' GLY . . . . . . . . . . . . . . . -100.75 119.52 6.55 Favored Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 120.732 -0.747 . . . . 53.530000000000001 112.461 -179.873 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 33' ' ' GLY . . . . . 0.434 ' O ' HD21 ' B' ' 37' ' ' LEU . . . 174.21 34.24 0.04 OUTLIER Glycine 0 N--CA 1.452 -0.275 0 C-N-CA 120.717 -0.754 . . . . 63.049999999999997 112.525 -179.886 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' B' B ' 34' ' ' GLY . . . . . . . . . . . . . . . -149.03 -92.43 0.1 Allowed Glycine 0 N--CA 1.451 -0.361 0 C-N-CA 120.719 -0.753 . . . . 44.329999999999998 112.54 -179.894 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 35' ' ' GLY . . . . . . . . . . . . . . . 50.66 -124.84 20.95 Favored Glycine 0 N--CA 1.451 -0.31 0 C-N-CA 120.713 -0.756 . . . . 72.140000000000001 112.5 -179.963 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 36' ' ' GLU . . . . . . . . . . . . . 32.3 tt0 -76.39 -25.29 54.41 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-O 120.904 0.383 . . . . 70.129999999999995 110.867 -179.889 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 37' ' ' LEU . . . . . 0.531 ' O ' HD12 ' B' ' 37' ' ' LEU . 0.3 OUTLIER -60.65 -22.8 64.23 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.102 -0.499 . . . . 75.230000000000004 110.93 -179.963 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' B' B ' 38' ' ' MET . . . . . . . . . . . . . 0.6 OUTLIER -55.21 -25.89 35.91 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.246 -0.434 . . . . 71.230000000000004 110.844 179.881 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' B' B ' 39' ' ' LYS . . . . . . . . . . . . . 8.8 tttt -53.64 -27.93 30.05 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.234 -0.439 . . . . 71.450000000000003 110.889 179.949 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 40' ' ' LEU . . . . . . . . . . . . . 3.7 mt -71.21 -36.12 71.78 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.217 -0.447 . . . . 61.450000000000003 110.89 179.947 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 41' ' ' CYS . . . . . . . . . . . . . 14.6 m -71.66 -34.26 69.58 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.212 -0.449 . . . . 72.409999999999997 110.867 179.941 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 42' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -59.54 -24.9 64.08 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.213 -0.449 . . . . 62.240000000000002 110.901 -179.869 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' B' B ' 43' ' ' GLU . . . . . . . . . . . . . 2.4 mt-10 -54.06 -37.43 64.17 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.126 -0.488 . . . . 64.510000000000005 110.843 -179.956 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 44' ' ' ALA . . . . . 0.459 ' HB2' ' CH2' ' A' ' 15' ' ' TRP . . . -51.44 -42.81 61.79 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.173 -0.467 . . . . 65.340000000000003 111.059 179.958 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' B' B ' 45' ' ' ALA . . . . . . . . . . . . . . . -75.59 -22.79 56.6 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.237 -0.438 . . . . 62.25 111.164 179.953 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 46' ' ' LYS . . . . . . . . . . . . . 3.9 tttt -78.06 -43.28 29.7 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.168 -0.469 . . . . 75.219999999999999 111.005 179.83 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 47' ' ' LYS . . . . . . . . . . . . . 7.3 mmpt? -54.66 -56.63 17.12 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.242 -0.435 . . . . 75.109999999999999 110.85 179.879 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 48' ' ' ALA . . . . . 0.711 ' HB3' ' HB3' ' B' ' 16' ' ' LYS . . . -56.8 -38.46 72.59 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.211 -0.449 . . . . 73.310000000000002 111.076 179.847 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' B' B ' 49' ' ' GLU . . . . . . . . . . . . . 1.1 tp10 -62.84 -41.57 99.4 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.189 -0.459 . . . . 71.400000000000006 110.895 -179.931 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 50' ' ' GLU . . . . . . . . . . . . . 4.4 mt-10 -74.11 -42.86 59.4 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.153 -0.476 . . . . 70.230000000000004 110.888 -179.92 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 51' ' ' LEU . . . . . 0.544 HD13 ' CE1' ' B' ' 12' ' ' PHE . 3.5 mt -62.14 -51.06 69.4 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.161 -0.472 . . . . 71.430000000000007 110.958 179.978 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' B' B ' 52' ' ' PHE . . . . . . . . . . . . . 33.1 t80 -53.94 -31.29 49.9 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.165 -0.471 . . . . 74.219999999999999 110.853 179.943 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 53' ' ' LYS . . . . . . . . . . . . . 8.0 tptp -56.51 -59.68 4.64 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.182 -0.463 . . . . 60.229999999999997 110.888 -179.975 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 54' ' ' LEU . . . . . . . . . . . . . 4.4 mm? -75.54 -24.08 56.7 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.263 -0.426 . . . . 62.039999999999999 110.928 179.884 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 55' ' ' ALA . . . . . . . . . . . . . . . -56.97 -32.6 66.22 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.199 -0.455 . . . . 62.219999999999999 111.116 179.796 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 56' ' ' GLU . . . . . 0.46 ' HB2' HD11 ' B' ' 62' ' ' LEU . 1.4 mt-10 -59.9 -28.16 67.34 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.197 -0.456 . . . . 65.030000000000001 110.869 -179.846 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' B' B ' 57' ' ' GLU . . . . . . . . . . . . . 71.9 tt0 -73.42 -46.88 45.94 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.147 -0.479 . . . . 71.319999999999993 110.882 -179.95 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 58' ' ' ARG . . . . . 0.64 ' NH2' HD13 ' A' ' 37' ' ' LEU . 0.1 OUTLIER -79.52 -12.83 59.85 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.148 -0.478 . . . . 74.040000000000006 110.919 -179.968 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' B' B ' 59' ' ' LEU . . . . . 0.828 HD22 ' HA ' ' B' ' 6' ' ' GLU . 40.3 mt -106.61 -7.29 17.47 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.17 -0.468 . . . . 62.130000000000003 110.878 -179.984 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' B' B ' 60' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -145.99 -165.48 2.21 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.203 -0.453 . . . . 55.32 110.92 179.804 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' B' B ' 61' ' ' LYS . . . . . . . . . . . . . 13.7 tttt -92.99 -54.49 3.71 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.237 -0.438 . . . . 72.040000000000006 110.871 179.943 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 62' ' ' LEU . . . . . 0.46 HD11 ' HB2' ' B' ' 56' ' ' GLU . 12.5 mt . . . . . 0 C--N 1.328 -0.347 0 CA-C-N 116.222 -0.444 . . . . 74.129999999999995 110.88 179.869 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.231 0.111 0 CA-C-O 120.817 0.341 . . . . 75.120000000000005 110.929 . . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -179.37 -52.17 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.258 -0.428 . . . . 65.310000000000002 110.927 179.85 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER 176.91 -31.77 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.176 -0.466 . . . . 71.299999999999997 110.875 179.872 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 7.4 mtt180 -68.72 -24.32 64.46 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.186 -0.461 . . . . 54.32 110.854 179.958 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -54.22 -26.91 31.07 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.25 -0.432 . . . . 65.519999999999996 110.822 -179.908 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 12.1 mt-10 -54.47 -31.08 55.03 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.212 -0.449 . . . . 73.420000000000002 110.844 -179.919 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -73.89 -27.06 60.87 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.238 -0.437 . . . . 71.150000000000006 111.101 179.891 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 9' ' ' ALA . . . . . 0.741 ' HB2' HD23 ' A' ' 59' ' ' LEU . . . -58.16 -50.49 73.34 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.225 -0.443 . . . . 72.129999999999995 111.097 179.965 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 1.6 mtpp -55.98 -44.28 78.39 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.17 -0.468 . . . . 63.240000000000002 110.863 179.991 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 17.9 mt -51.66 -40.58 60.27 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.29 -0.414 . . . . 74.209999999999994 110.957 179.896 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 12' ' ' PHE . . . . . 0.601 ' CG ' HD11 ' A' ' 51' ' ' LEU . 24.2 m-85 -74.32 -26.93 60.46 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.198 -0.455 . . . . 54.340000000000003 110.892 179.921 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 5.2 tt0 -53.98 -27.75 33.49 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.144 -0.48 . . . . 73.439999999999998 110.867 -179.921 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 6.9 mt-10 -73.29 -33.19 65.07 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.136 -0.484 . . . . 70.439999999999998 110.812 -179.868 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 15' ' ' TRP . . . . . 0.607 ' CH2' ' HB2' ' B' ' 44' ' ' ALA . 2.9 t90 -64.44 -46.08 84.7 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 116.237 -0.438 . . . . 63.439999999999998 110.951 -179.994 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -77.44 -27.93 52.33 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.174 -0.466 . . . . 73.319999999999993 110.882 179.924 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 17.1 mmtt -75.23 -62.37 1.58 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.246 -0.434 . . . . 72.450000000000003 110.919 179.857 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 3.7 mt -56.5 -24.7 48.01 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.212 -0.449 . . . . 52.020000000000003 110.913 179.943 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 19' ' ' ALA . . . . . 0.62 ' HB1' ' HB2' ' A' ' 45' ' ' ALA . . . -72.88 -29.46 63.2 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.156 -0.475 . . . . 70.5 111.124 179.796 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 3.8 tp10 -73.32 -49.75 25.75 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.221 -0.445 . . . . 74.219999999999999 110.887 -179.964 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 9.7 pt-20 -57.42 -46.66 83.28 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.16 -0.473 . . . . 72.329999999999998 110.915 -179.943 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -63.77 -32.62 74.18 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.114 -0.494 . . . . 71.049999999999997 111.096 179.905 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -70.61 -47.99 57.35 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.267 -0.424 . . . . 71.219999999999999 111.063 179.97 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -67.2 -36.34 81.53 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.228 -0.442 . . . . 72.120000000000005 110.905 -179.997 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 25' ' ' LEU . . . . . 0.437 HD23 ' HA ' ' A' ' 25' ' ' LEU . 10.5 mt -76.54 -37.8 56.08 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.191 -0.459 . . . . 64.430000000000007 110.974 179.909 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 4.0 mt -50.51 -49.87 54.5 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.112 -0.495 . . . . 75.150000000000006 110.884 179.888 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 40.8 mt-10 -93.55 12.47 25.09 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.224 -0.443 . . . . 70.530000000000001 110.92 179.932 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . -59.65 -14.29 28.23 Favored Glycine 0 N--CA 1.45 -0.383 0 C-N-CA 120.724 -0.751 . . . . 73.430000000000007 112.52 179.982 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . 135.13 43.66 0.11 Allowed Glycine 0 N--CA 1.45 -0.415 0 C-N-CA 120.775 -0.726 . . . . 64.129999999999995 112.517 -179.899 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . -113.52 -84.61 1.32 Allowed Glycine 0 N--CA 1.451 -0.345 0 C-N-CA 120.759 -0.734 . . . . 34.219999999999999 112.476 -179.868 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . 161.07 168.45 22.97 Favored Glycine 0 N--CA 1.45 -0.391 0 C-N-CA 120.778 -0.725 . . . . 72.230000000000004 112.464 -179.968 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . -159.08 166.98 34.78 Favored Glycine 0 N--CA 1.452 -0.296 0 C-N-CA 120.708 -0.758 . . . . 44.420000000000002 112.516 -179.87 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -112.53 117.28 4.29 Favored Glycine 0 N--CA 1.451 -0.305 0 C-N-CA 120.747 -0.739 . . . . 33.229999999999997 112.513 -179.948 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 60.37 -125.29 38.27 Favored Glycine 0 N--CA 1.451 -0.304 0 C-N-CA 120.757 -0.735 . . . . 33.310000000000002 112.54 -179.855 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . -150.02 -65.46 0.01 OUTLIER Glycine 0 N--CA 1.45 -0.421 0 C-N-CA 120.776 -0.726 . . . . 64.310000000000002 112.545 -179.922 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 41.5 tt0 -53.21 -34.88 58.92 Favored 'General case' 0 C--N 1.33 -0.283 0 CA-C-O 120.843 0.354 . . . . 72.439999999999998 110.83 -179.88 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 5.9 tp -54.8 -58.13 8.78 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.122 -0.49 . . . . 51.399999999999999 110.862 -179.935 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 38' ' ' MET . . . . . . . . . . . . . 14.1 ttm -70.95 -27.3 63.65 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.182 -0.463 . . . . 63.530000000000001 110.881 179.828 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 2.5 tttt -54.89 -28.36 49.92 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.284 -0.416 . . . . 72.420000000000002 110.916 179.944 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 8.7 mt -54.52 -42.37 70.78 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.233 -0.439 . . . . 75.219999999999999 110.863 179.922 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 41' ' ' CYS . . . . . 0.569 ' SG ' HD13 ' B' ' 51' ' ' LEU . 15.6 m -74.84 -41.19 60.35 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.178 -0.465 . . . . 61.109999999999999 110.9 179.93 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -55.54 -24.83 34.36 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.161 -0.472 . . . . 75.099999999999994 110.887 -179.833 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 1.9 mm-40 -54.5 -24.82 22.12 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.131 -0.486 . . . . 72.319999999999993 110.923 179.997 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 44' ' ' ALA . . . . . 0.625 ' HB2' ' CH2' ' B' ' 15' ' ' TRP . . . -51.32 -44.31 61.92 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.135 -0.484 . . . . 52.140000000000001 111.091 179.949 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 45' ' ' ALA . . . . . 0.62 ' HB2' ' HB1' ' A' ' 19' ' ' ALA . . . -75.19 -22.98 57.62 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.215 -0.448 . . . . 64.329999999999998 111.163 179.934 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 8.0 mttp -76.43 -49.9 15.49 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.181 -0.463 . . . . 75.150000000000006 110.85 179.984 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 47' ' ' LYS . . . . . 0.55 ' O ' HD23 ' A' ' 51' ' ' LEU . 7.0 mmtp -70.17 -26.92 64.14 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.24 -0.436 . . . . 74.120000000000005 110.923 179.858 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 48' ' ' ALA . . . . . 0.411 ' HB2' ' CG ' ' A' ' 15' ' ' TRP . . . -67.88 -50.19 57.79 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.242 -0.436 . . . . 50.240000000000002 111.123 179.824 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 5.7 tt0 -77.27 -27.92 53.33 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.206 -0.452 . . . . 62.119999999999997 110.919 -179.994 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 62.1 tt0 -66.61 -51.25 58.39 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.178 -0.465 . . . . 61.219999999999999 110.875 -179.905 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 51' ' ' LEU . . . . . 0.601 HD11 ' CG ' ' A' ' 12' ' ' PHE . 2.2 pp -73.31 -36.06 66.19 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.178 -0.464 . . . . 73.230000000000004 110.888 -179.952 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 52' ' ' PHE . . . . . . . . . . . . . 75.8 t80 -64.05 -24.44 67.71 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.163 -0.471 . . . . 73.150000000000006 110.87 179.952 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -65.69 -59.25 4.11 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.201 -0.454 . . . . 71.540000000000006 110.866 179.979 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 54' ' ' LEU . . . . . . . . . . . . . 4.5 mm? -75.12 -24.41 58.04 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.196 -0.456 . . . . 71.25 110.928 179.931 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 55' ' ' ALA . . . . . 0.436 ' O ' HD13 ' A' ' 59' ' ' LEU . . . -55.74 -24.98 38.24 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.127 -0.488 . . . . 72.450000000000003 111.07 179.875 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 56' ' ' GLU . . . . . 0.41 ' HB2' HD12 ' A' ' 62' ' ' LEU . 3.6 mt-10 -77.02 -28.6 55.01 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.251 -0.432 . . . . 62.240000000000002 110.843 -179.917 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 2.6 tt0 -65.19 -44.07 89.6 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.197 -0.456 . . . . 63.130000000000003 110.944 -179.912 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 1.2 mtt180 -78.51 -29.65 46.72 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.086 -0.506 . . . . 71.420000000000002 110.915 -179.955 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 59' ' ' LEU . . . . . 0.741 HD23 ' HB2' ' A' ' 9' ' ' ALA . 5.2 mp -77.72 -64.01 1.25 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.2 -0.454 . . . . 74.010000000000005 110.962 -179.984 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -116.17 -79.09 0.58 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.244 -0.435 . . . . 70.430000000000007 110.952 179.778 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 6.0 ptmt 178.01 -35.63 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.279 -0.419 . . . . 71.120000000000005 110.877 179.779 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 62' ' ' LEU . . . . . 0.41 HD12 ' HB2' ' A' ' 56' ' ' GLU . 0.4 OUTLIER . . . . . 0 C--N 1.328 -0.334 0 CA-C-N 116.265 -0.425 . . . . 64.519999999999996 110.89 179.887 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' B' B ' 1' ' ' MET . . . . . . . . . . . . . 6.7 mtt . . . . . 0 C--O 1.231 0.102 0 CA-C-O 120.84 0.353 . . . . 71.319999999999993 110.847 . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild core ' B' B ' 2' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -153.62 -167.02 2.56 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.213 -0.449 . . . . 71.019999999999996 110.937 179.942 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' B' B ' 3' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -179.39 -52.17 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.277 -0.42 . . . . 72.040000000000006 110.925 179.854 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' B' B ' 4' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER 176.77 -31.57 0.0 OUTLIER 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.266 -0.425 . . . . 75.010000000000005 110.96 179.874 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' B' B ' 5' ' ' ARG . . . . . . . . . . . . . 7.5 mtt180 -68.05 -25.33 65.31 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.209 -0.45 . . . . 73.329999999999998 110.89 179.89 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 6' ' ' GLU . . . . . . . . . . . . . 1.1 mt-10 -53.96 -27.88 34.03 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.159 -0.473 . . . . 74.540000000000006 110.882 -179.928 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 7' ' ' GLU . . . . . . . . . . . . . 12.0 mt-10 -54.49 -31.06 55.2 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.166 -0.47 . . . . 64.319999999999993 110.946 -179.96 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 8' ' ' ALA . . . . . . . . . . . . . . . -73.52 -27.23 61.25 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.229 -0.441 . . . . 73.230000000000004 111.105 179.909 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 9' ' ' ALA . . . . . 0.724 ' HB2' HD23 ' B' ' 59' ' ' LEU . . . -58.36 -50.07 74.95 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.259 -0.428 . . . . 60.509999999999998 111.055 179.938 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' B' B ' 10' ' ' LYS . . . . . . . . . . . . . 1.5 mtpp -56.26 -43.83 79.12 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.25 -0.432 . . . . 74.310000000000002 110.943 179.94 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 11' ' ' LEU . . . . . . . . . . . . . 18.9 mt -51.58 -40.6 60.09 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.236 -0.438 . . . . 50.350000000000001 110.907 179.863 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 12' ' ' PHE . . . . . 0.65 ' CG ' HD11 ' B' ' 51' ' ' LEU . 25.6 m-85 -74.29 -27.14 60.59 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.187 -0.46 . . . . 74.400000000000006 110.865 179.983 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' B' B ' 13' ' ' GLU . . . . . . . . . . . . . 5.2 tt0 -55.84 -27.68 52.66 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.17 -0.468 . . . . 74.349999999999994 110.919 -179.996 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 14' ' ' GLU . . . . . . . . . . . . . 7.3 mt-10 -74.06 -34.97 64.23 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.201 -0.454 . . . . 73.319999999999993 110.875 -179.906 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 15' ' ' TRP . . . . . 0.625 ' CH2' ' HB2' ' A' ' 44' ' ' ALA . 5.1 t90 -63.62 -44.98 92.34 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.142 -0.481 . . . . 72.439999999999998 110.932 179.972 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' B' B ' 16' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -77.71 -28.58 50.95 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.314 -0.403 . . . . 74.109999999999999 110.96 179.903 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' B' B ' 17' ' ' LYS . . . . . . . . . . . . . 16.2 mmtt -74.31 -62.65 1.44 Allowed 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.187 -0.46 . . . . 74.219999999999999 110.922 179.766 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 18' ' ' LEU . . . . . 0.442 HD23 ' OE2' ' B' ' 21' ' ' GLU . 4.6 mt -56.33 -24.63 45.09 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.155 -0.475 . . . . 63.439999999999998 110.943 179.95 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' B' B ' 19' ' ' ALA . . . . . 0.529 ' HB1' ' HB2' ' B' ' 45' ' ' ALA . . . -73.03 -29.33 62.92 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.184 -0.462 . . . . 62.240000000000002 111.012 179.88 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' B' B ' 20' ' ' GLU . . . . . . . . . . . . . 3.8 tp10 -73.42 -49.8 25.11 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.315 -0.402 . . . . 74.439999999999998 110.889 -179.919 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 21' ' ' GLU . . . . . 0.442 ' OE2' HD23 ' B' ' 18' ' ' LEU . 9.6 pt-20 -57.05 -46.76 82.2 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 116.137 -0.483 . . . . 63.409999999999997 110.915 -179.905 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' B' B ' 22' ' ' ALA . . . . . . . . . . . . . . . -63.84 -32.69 74.28 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.17 -0.468 . . . . 63.509999999999998 111.041 179.96 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 23' ' ' ALA . . . . . . . . . . . . . . . -70.58 -48.15 56.71 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.21 -0.45 . . . . 63.020000000000003 111.107 179.965 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 24' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -66.95 -36.26 81.82 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.191 -0.459 . . . . 71.310000000000002 110.872 179.996 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' B' B ' 25' ' ' LEU . . . . . 0.443 HD23 ' HA ' ' B' ' 25' ' ' LEU . 10.4 mt -76.6 -38.03 55.45 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.182 -0.463 . . . . 75.319999999999993 110.916 179.958 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' B' B ' 26' ' ' LEU . . . . . . . . . . . . . 4.0 mt -50.56 -48.96 57.28 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.206 -0.452 . . . . 72.319999999999993 110.954 179.87 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 27' ' ' GLU . . . . . . . . . . . . . 41.9 mt-10 -93.52 12.54 24.79 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.153 -0.476 . . . . 74.409999999999997 110.877 179.9 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 28' ' ' GLY . . . . . . . . . . . . . . . -59.81 -14.13 28.62 Favored Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.716 -0.754 . . . . 63.32 112.467 -179.942 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 29' ' ' GLY . . . . . . . . . . . . . . . 135.99 43.82 0.1 Allowed Glycine 0 N--CA 1.452 -0.294 0 C-N-CA 120.676 -0.773 . . . . 64.319999999999993 112.507 -179.906 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 30' ' ' GLY . . . . . . . . . . . . . . . -113.27 -82.43 1.14 Allowed Glycine 0 N--CA 1.451 -0.343 0 C-N-CA 120.699 -0.762 . . . . 73.340000000000003 112.475 -179.868 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 31' ' ' GLY . . . . . . . . . . . . . . . 162.01 165.71 19.44 Favored Glycine 0 N--CA 1.451 -0.34 0 C-N-CA 120.76 -0.733 . . . . 74.439999999999998 112.474 -179.925 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 32' ' ' GLY . . . . . . . . . . . . . . . -160.67 167.61 35.86 Favored Glycine 0 N--CA 1.452 -0.28 0 C-N-CA 120.755 -0.735 . . . . 42.329999999999998 112.495 -179.945 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 33' ' ' GLY . . . . . . . . . . . . . . . -112.43 117.5 4.37 Favored Glycine 0 N--CA 1.452 -0.285 0 C-N-CA 120.763 -0.732 . . . . 73.5 112.499 -179.931 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 34' ' ' GLY . . . . . . . . . . . . . . . 60.8 -125.05 37.31 Favored Glycine 0 N--CA 1.451 -0.331 0 C-N-CA 120.719 -0.753 . . . . 63.149999999999999 112.499 -179.898 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 35' ' ' GLY . . . . . . . . . . . . . . . -149.28 -65.76 0.01 OUTLIER Glycine 0 N--CA 1.452 -0.294 0 C-N-CA 120.75 -0.738 . . . . 53.32 112.495 -179.933 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 36' ' ' GLU . . . . . . . . . . . . . 41.5 tt0 -53.11 -34.48 56.89 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-O 120.876 0.37 . . . . 74.140000000000001 110.919 -179.903 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 37' ' ' LEU . . . . . . . . . . . . . 6.0 tp -54.93 -56.95 13.96 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.17 -0.468 . . . . 74.310000000000002 110.898 -179.977 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 38' ' ' MET . . . . . . . . . . . . . 14.4 ttm -69.77 -26.8 64.46 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.176 -0.465 . . . . 74.109999999999999 110.925 179.781 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 39' ' ' LYS . . . . . . . . . . . . . 2.7 tttt -54.2 -28.1 38.5 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.185 -0.461 . . . . 72.329999999999998 110.843 -179.96 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 40' ' ' LEU . . . . . . . . . . . . . 8.6 mt -54.37 -41.27 68.99 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.299 -0.41 . . . . 51.539999999999999 110.916 179.875 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 41' ' ' CYS . . . . . . . . . . . . . 12.3 m -73.61 -44.5 56.93 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.177 -0.465 . . . . 73.040000000000006 110.927 179.897 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 42' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -56.05 -24.48 39.95 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.163 -0.471 . . . . 72.450000000000003 110.904 -179.856 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' B' B ' 43' ' ' GLU . . . . . . . . . . . . . 1.9 mm-40 -54.07 -25.32 21.04 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.13 -0.486 . . . . 63.140000000000001 110.954 -179.986 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 44' ' ' ALA . . . . . 0.607 ' HB2' ' CH2' ' A' ' 15' ' ' TRP . . . -51.38 -45.48 62.46 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.126 -0.488 . . . . 74.120000000000005 111.058 179.915 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' B' B ' 45' ' ' ALA . . . . . 0.529 ' HB2' ' HB1' ' B' ' 19' ' ' ALA . . . -75.29 -23.0 57.31 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.224 -0.444 . . . . 41.409999999999997 111.084 -179.992 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' B' B ' 46' ' ' LYS . . . . . . . . . . . . . 8.0 mttp -75.67 -50.8 14.35 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.209 -0.451 . . . . 62.25 110.984 179.938 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 47' ' ' LYS . . . . . 0.526 ' O ' HD23 ' B' ' 51' ' ' LEU . 7.0 mmtp -67.67 -28.33 67.61 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.233 -0.44 . . . . 72.329999999999998 110.93 179.805 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' B' B ' 48' ' ' ALA . . . . . 0.402 ' HB2' ' CG ' ' B' ' 15' ' ' TRP . . . -68.53 -49.6 58.34 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.245 -0.434 . . . . 74.109999999999999 111.079 179.803 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' B' B ' 49' ' ' GLU . . . . . . . . . . . . . 5.7 tt0 -77.07 -27.93 54.44 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.226 -0.443 . . . . 74.299999999999997 110.937 -179.931 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 50' ' ' GLU . . . . . . . . . . . . . 61.8 tt0 -66.63 -51.4 56.64 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.151 -0.477 . . . . 65.030000000000001 110.837 -179.905 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 51' ' ' LEU . . . . . 0.65 HD11 ' CG ' ' B' ' 12' ' ' PHE . 2.0 pp -73.54 -35.14 65.49 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.157 -0.474 . . . . 70.140000000000001 110.942 -179.97 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' B' B ' 52' ' ' PHE . . . . . . . . . . . . . 76.4 t80 -62.29 -24.26 67.19 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.157 -0.474 . . . . 72.120000000000005 110.903 179.91 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 53' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -64.24 -59.46 4.38 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.133 -0.485 . . . . 74.540000000000006 110.874 179.923 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' B' B ' 54' ' ' LEU . . . . . . . . . . . . . 4.5 mm? -75.21 -23.99 57.7 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.213 -0.449 . . . . 72.230000000000004 110.92 179.889 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 55' ' ' ALA . . . . . 0.451 ' O ' HD13 ' B' ' 59' ' ' LEU . . . -55.98 -24.74 40.46 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.204 -0.453 . . . . 71.239999999999995 111.156 179.812 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' B' B ' 56' ' ' GLU . . . . . 0.407 ' HB2' HD12 ' B' ' 62' ' ' LEU . 3.3 mt-10 -78.0 -28.41 49.24 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.228 -0.442 . . . . 75.409999999999997 110.85 -179.907 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' B' B ' 57' ' ' GLU . . . . . . . . . . . . . 2.6 tt0 -65.36 -44.75 86.68 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.224 -0.444 . . . . 74.200000000000003 110.925 -179.967 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 58' ' ' ARG . . . . . . . . . . . . . 1.6 ptt180 -77.98 -29.3 49.63 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.094 -0.503 . . . . 72.239999999999995 110.864 -179.916 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 59' ' ' LEU . . . . . 0.724 HD23 ' HB2' ' B' ' 9' ' ' ALA . 5.1 mp -77.96 -64.43 1.16 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.197 -0.456 . . . . 71.409999999999997 110.924 -179.981 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' B' B ' 60' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -115.93 -79.28 0.58 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.13 -0.487 . . . . 71.519999999999996 110.872 179.86 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' B' B ' 61' ' ' LYS . . . . . . . . . . . . . 6.1 ptmt 178.0 -34.57 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.195 -0.457 . . . . 70.400000000000006 110.891 179.902 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 62' ' ' LEU . . . . . 0.407 HD12 ' HB2' ' B' ' 56' ' ' GLU . 0.4 OUTLIER . . . . . 0 C--N 1.329 -0.311 0 CA-C-N 116.286 -0.415 . . . . 73.400000000000006 110.896 179.862 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.232 0.142 0 CA-C-O 120.9 0.381 . . . . 73.219999999999999 110.915 . . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -173.86 -37.02 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.262 -0.426 . . . . 72.420000000000002 110.91 179.858 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 1.4 pp -81.5 -25.65 35.81 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.169 -0.469 . . . . 72.310000000000002 110.906 179.945 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 25.4 mtt85 -68.93 -24.32 64.27 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.194 -0.457 . . . . 72.219999999999999 110.908 179.968 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -53.68 -26.78 24.27 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.141 -0.481 . . . . 53.25 110.871 -179.924 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 2.9 pp20? -53.1 -36.53 60.82 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.121 -0.491 . . . . 72.150000000000006 110.925 -179.965 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -74.51 -26.55 60.07 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.106 -0.497 . . . . 33.420000000000002 111.111 179.896 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 9' ' ' ALA . . . . . 0.733 ' HB2' HD13 ' A' ' 59' ' ' LEU . . . -55.55 -44.4 76.74 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.264 -0.426 . . . . 62.109999999999999 111.06 179.995 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 24.9 mtpt -55.49 -42.66 74.73 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.262 -0.426 . . . . 42.350000000000001 110.942 179.932 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 14.2 mt -52.72 -40.62 63.2 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.153 -0.476 . . . . 74.129999999999995 110.923 179.92 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 12' ' ' PHE . . . . . 0.542 ' HE2' HD13 ' A' ' 51' ' ' LEU . 3.0 m-30 -74.24 -24.65 59.33 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.186 -0.461 . . . . 73.450000000000003 110.947 179.865 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -53.61 -32.14 49.96 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.15 -0.477 . . . . 64.140000000000001 110.873 -179.943 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 14' ' ' GLU . . . . . 0.743 ' O ' HD12 ' A' ' 18' ' ' LEU . 5.3 mt-10 -75.39 -35.79 61.0 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.123 -0.489 . . . . 72.540000000000006 110.915 -179.921 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 15' ' ' TRP . . . . . 0.524 ' CH2' ' HB2' ' B' ' 44' ' ' ALA . 6.2 t-105 -52.22 -50.54 61.75 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.142 -0.481 . . . . 70.439999999999998 110.997 179.975 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -77.38 -15.18 59.5 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.205 -0.452 . . . . 72.329999999999998 110.855 179.919 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 1.2 tptt -72.82 -57.1 4.33 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.243 -0.435 . . . . 73.530000000000001 110.898 179.858 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 18' ' ' LEU . . . . . 0.743 HD12 ' O ' ' A' ' 14' ' ' GLU . 1.8 mp -54.59 -29.96 53.09 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.222 -0.444 . . . . 73.140000000000001 110.919 179.992 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 19' ' ' ALA . . . . . 0.646 ' HB2' ' HB3' ' A' ' 44' ' ' ALA . . . -66.32 -27.48 67.94 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.222 -0.445 . . . . 64.439999999999998 111.162 179.722 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -73.7 -49.43 25.78 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.197 -0.456 . . . . 72.5 110.887 -179.886 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 1.6 mm-40 -73.11 -50.79 20.84 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.112 -0.495 . . . . 74.219999999999999 110.864 -179.94 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -56.1 -22.83 30.37 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.244 -0.435 . . . . 72.150000000000006 111.074 179.914 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 23' ' ' ALA . . . . . 0.433 ' HB2' ' O ' ' A' ' 19' ' ' ALA . . . -75.67 -54.8 6.4 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.221 -0.445 . . . . 73.329999999999998 111.133 179.947 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -66.59 -29.99 70.17 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.255 -0.429 . . . . 64.200000000000003 110.902 179.905 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 25' ' ' LEU . . . . . 0.644 HD13 HD21 ' B' ' 11' ' ' LEU . 5.4 mt -77.86 -41.85 35.45 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.283 -0.417 . . . . 60.140000000000001 110.926 179.935 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 26' ' ' LEU . . . . . 0.523 HD22 ' HG3' ' A' ' 38' ' ' MET . 5.1 mt -50.78 -49.48 58.14 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.185 -0.461 . . . . 70.329999999999998 110.887 179.941 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 44.1 mt-10 -90.02 11.88 19.32 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.211 -0.449 . . . . 72.129999999999995 110.918 179.897 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . -55.24 -17.99 12.54 Favored Glycine 0 N--CA 1.451 -0.362 0 C-N-CA 120.772 -0.728 . . . . 75.530000000000001 112.484 -179.951 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . 164.04 38.27 0.02 OUTLIER Glycine 0 N--CA 1.45 -0.376 0 C-N-CA 120.736 -0.745 . . . . 71.150000000000006 112.46 -179.962 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . -150.94 90.64 0.13 Allowed Glycine 0 N--CA 1.451 -0.305 0 C-N-CA 120.758 -0.734 . . . . 55.140000000000001 112.445 -179.88 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . -73.69 76.85 0.97 Allowed Glycine 0 N--CA 1.45 -0.375 0 C-N-CA 120.751 -0.738 . . . . 75.209999999999994 112.5 -179.927 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . 106.85 148.79 15.49 Favored Glycine 0 N--CA 1.452 -0.247 0 C-N-CA 120.699 -0.762 . . . . 24.440000000000001 112.473 -179.899 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -132.2 -97.2 0.68 Allowed Glycine 0 N--CA 1.45 -0.369 0 C-N-CA 120.809 -0.71 . . . . 74.430000000000007 112.482 -179.945 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 34' ' ' GLY . . . . . 0.469 ' H ' HD21 ' A' ' 37' ' ' LEU . . . -101.72 -23.5 9.32 Favored Glycine 0 N--CA 1.45 -0.392 0 C-N-CA 120.76 -0.734 . . . . 51.439999999999998 112.505 -179.914 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 153.75 -125.04 1.67 Allowed Glycine 0 N--CA 1.451 -0.304 0 C-N-CA 120.792 -0.718 . . . . 75.129999999999995 112.527 -179.879 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 27.3 tp10 -77.35 -21.36 53.48 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-O 120.849 0.357 . . . . 73.430000000000007 110.876 -179.908 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 37' ' ' LEU . . . . . 0.598 HD23 ' H ' ' A' ' 38' ' ' MET . 1.5 pt? -50.18 -30.55 11.67 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.157 -0.474 . . . . 72.430000000000007 110.872 -179.96 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 38' ' ' MET . . . . . 0.598 ' H ' HD23 ' A' ' 37' ' ' LEU . 27.0 ttm -69.86 -51.12 35.98 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.163 -0.471 . . . . 61.109999999999999 110.91 179.848 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 10.1 tttt -65.7 -27.67 68.51 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.206 -0.452 . . . . 72.230000000000004 110.919 179.969 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 1.8 mt -53.75 -36.2 62.06 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.177 -0.465 . . . . 72.310000000000002 110.919 179.908 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 41' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -75.34 -53.74 8.23 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.15 -0.477 . . . . 44.310000000000002 110.883 179.882 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 9.3 tm-20 -53.25 -24.96 12.6 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.21 -0.45 . . . . 64.340000000000003 110.892 -179.883 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 2.1 mt-10 -59.88 -18.13 42.22 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.197 -0.456 . . . . 73.120000000000005 110.873 -179.95 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 44' ' ' ALA . . . . . 0.665 ' HB2' ' CZ3' ' B' ' 15' ' ' TRP . . . -50.89 -50.2 57.74 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.171 -0.468 . . . . 75.299999999999997 111.097 179.922 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -69.31 -22.86 63.75 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.28 -0.418 . . . . 71.150000000000006 111.097 179.965 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -76.24 -52.7 9.48 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.185 -0.461 . . . . 71.349999999999994 110.926 179.937 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 7.8 mmtm -73.33 -24.47 60.37 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.198 -0.456 . . . . 73.540000000000006 110.913 179.827 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -59.5 -50.81 72.48 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.201 -0.454 . . . . 60.020000000000003 111.079 179.853 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -67.9 -27.82 66.98 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.268 -0.424 . . . . 71.349999999999994 110.824 -179.881 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -74.04 -49.01 26.14 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.179 -0.464 . . . . 63.240000000000002 110.867 -179.836 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 51' ' ' LEU . . . . . 0.542 HD13 ' HE2' ' A' ' 12' ' ' PHE . 3.6 pp -73.35 -41.25 63.68 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.189 -0.46 . . . . 72.25 110.942 179.985 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 52' ' ' PHE . . . . . 0.505 ' HA ' ' HB3' ' A' ' 55' ' ' ALA . 74.9 t80 -53.48 -27.74 26.84 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.144 -0.48 . . . . 73.230000000000004 110.898 179.982 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -51.72 -60.74 2.82 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.174 -0.466 . . . . 74.439999999999998 110.896 179.907 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 54' ' ' LEU . . . . . . . . . . . . . 4.5 mm? -77.45 -27.08 52.02 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.206 -0.452 . . . . 71.439999999999998 110.908 179.956 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 55' ' ' ALA . . . . . 0.505 ' HB3' ' HA ' ' A' ' 52' ' ' PHE . . . -53.63 -37.13 62.77 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.159 -0.473 . . . . 74.209999999999994 111.102 179.845 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 56' ' ' GLU . . . . . 0.405 ' CB ' HD12 ' A' ' 62' ' ' LEU . 3.2 pt-20 -67.31 -26.47 66.53 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.175 -0.466 . . . . 75.530000000000001 110.885 -179.919 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 6.4 tp10 -68.75 -50.23 52.22 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.142 -0.481 . . . . 71.319999999999993 110.919 -179.929 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -78.9 -13.67 59.67 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.06 -0.518 . . . . 75.430000000000007 110.858 -179.893 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 59' ' ' LEU . . . . . 0.733 HD13 ' HB2' ' A' ' 9' ' ' ALA . 34.6 mt -93.38 -68.62 0.79 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.233 -0.439 . . . . 74.329999999999998 110.866 -179.971 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -119.7 -81.99 0.64 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.206 -0.452 . . . . 74.439999999999998 110.902 179.902 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 179.18 -68.92 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.214 -0.448 . . . . 72.319999999999993 110.846 179.803 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 62' ' ' LEU . . . . . 0.405 HD12 ' CB ' ' A' ' 56' ' ' GLU . 17.9 mt . . . . . 0 C--N 1.328 -0.335 0 CA-C-N 116.193 -0.458 . . . . 63.130000000000003 110.923 179.932 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 1' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.232 0.172 0 CA-C-O 120.787 0.327 . . . . 71.310000000000002 110.818 . . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 2' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 59.59 179.31 0.08 Allowed 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.232 -0.44 . . . . 72.329999999999998 110.89 179.928 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' B' B ' 3' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -173.83 -37.11 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.203 -0.453 . . . . 62.420000000000002 110.921 179.853 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' B' B ' 4' ' ' LEU . . . . . . . . . . . . . 1.4 pp -81.38 -25.68 36.08 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.183 -0.462 . . . . 71.230000000000004 110.899 179.93 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 5' ' ' ARG . . . . . . . . . . . . . 26.0 mtt85 -69.54 -24.69 63.76 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.178 -0.464 . . . . 70.409999999999997 110.895 179.977 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 6' ' ' GLU . . . . . 0.479 ' HA ' HD22 ' B' ' 59' ' ' LEU . 0.1 OUTLIER -53.64 -27.92 30.04 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.168 -0.469 . . . . 74.219999999999999 110.853 -179.924 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' B' B ' 7' ' ' GLU . . . . . . . . . . . . . 2.9 pp20? -53.74 -35.68 61.49 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.118 -0.492 . . . . 74.239999999999995 110.925 -179.941 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 8' ' ' ALA . . . . . . . . . . . . . . . -74.71 -26.81 60.07 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.107 -0.497 . . . . 73.329999999999998 111.099 179.931 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 9' ' ' ALA . . . . . 0.911 ' HB2' HD13 ' B' ' 59' ' ' LEU . . . -56.7 -45.56 81.73 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.213 -0.448 . . . . 61.439999999999998 111.065 179.954 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' B' B ' 10' ' ' LYS . . . . . . . . . . . . . 24.9 mtpt -55.83 -41.53 74.4 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.183 -0.462 . . . . 62.530000000000001 110.918 -179.992 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 11' ' ' LEU . . . . . 0.644 HD21 HD13 ' A' ' 25' ' ' LEU . 18.2 mt -51.81 -44.61 63.56 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.266 -0.425 . . . . 52.130000000000003 110.926 179.885 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' B' B ' 12' ' ' PHE . . . . . . . . . . . . . 5.0 m-85 -74.24 -21.92 59.57 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.133 -0.485 . . . . 73.340000000000003 110.903 179.928 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 13' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -60.69 -49.35 77.87 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.146 -0.479 . . . . 73.349999999999994 110.832 -179.872 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' B' B ' 14' ' ' GLU . . . . . 0.648 ' O ' HD12 ' B' ' 18' ' ' LEU . 7.3 mt-10 -64.75 -34.76 79.09 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.152 -0.476 . . . . 62.329999999999998 110.919 -179.912 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' B' B ' 15' ' ' TRP . . . . . 0.665 ' CZ3' ' HB2' ' A' ' 44' ' ' ALA . 9.8 t-105 -52.7 -53.8 42.51 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.179 -0.464 . . . . 72.340000000000003 110.894 -179.971 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' B' B ' 16' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -78.37 -14.78 59.24 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.202 -0.454 . . . . 74.450000000000003 110.901 179.92 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' B' B ' 17' ' ' LYS . . . . . . . . . . . . . 1.5 tptt -68.31 -62.87 1.2 Allowed 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.239 -0.437 . . . . 72.420000000000002 110.924 179.885 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 18' ' ' LEU . . . . . 0.73 HD13 HD11 ' A' ' 18' ' ' LEU . 3.7 mp -56.28 -29.2 60.85 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.193 -0.458 . . . . 64.299999999999997 110.888 179.919 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' B' B ' 19' ' ' ALA . . . . . 0.647 ' CB ' ' HB2' ' B' ' 45' ' ' ALA . . . -67.99 -14.94 63.36 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.187 -0.461 . . . . 73.129999999999995 111.119 179.769 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' B' B ' 20' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -71.31 -49.18 45.37 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.236 -0.438 . . . . 64.200000000000003 110.904 -179.95 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' B' B ' 21' ' ' GLU . . . . . . . . . . . . . 1.6 mm-40 -66.86 -51.59 53.71 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.135 -0.484 . . . . 64.420000000000002 110.875 -179.922 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 22' ' ' ALA . . . . . 0.445 ' O ' HD12 ' B' ' 26' ' ' LEU . . . -58.95 -22.98 61.02 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.166 -0.47 . . . . 73.230000000000004 111.054 179.93 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' B' B ' 23' ' ' ALA . . . . . . . . . . . . . . . -76.33 -54.79 6.26 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.249 -0.432 . . . . 51.32 111.129 179.971 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 24' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -65.17 -30.72 71.66 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.187 -0.461 . . . . 73.0 110.899 179.981 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' B' B ' 25' ' ' LEU . . . . . . . . . . . . . 6.8 mt -77.88 -41.7 35.83 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.21 -0.45 . . . . 72.150000000000006 110.872 179.938 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 26' ' ' LEU . . . . . 0.583 HD13 ' HA ' ' B' ' 39' ' ' LYS . 2.6 mt -50.81 -48.6 59.68 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.211 -0.449 . . . . 32.539999999999999 110.89 179.939 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' B' B ' 27' ' ' GLU . . . . . . . . . . . . . 45.5 mt-10 -91.04 12.7 18.97 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.197 -0.456 . . . . 74.239999999999995 110.871 179.926 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 28' ' ' GLY . . . . . . . . . . . . . . . -54.19 -18.76 10.03 Favored Glycine 0 N--CA 1.451 -0.323 0 C-N-CA 120.693 -0.765 . . . . 24.23 112.466 -179.957 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 29' ' ' GLY . . . . . . . . . . . . . . . 168.42 46.53 0.03 OUTLIER Glycine 0 N--CA 1.452 -0.247 0 C-N-CA 120.704 -0.76 . . . . 64.430000000000007 112.46 -179.954 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 30' ' ' GLY . . . . . . . . . . . . . . . -146.79 90.8 0.15 Allowed Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.767 -0.73 . . . . 63.219999999999999 112.5 -179.93 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 31' ' ' GLY . . . . . . . . . . . . . . . -84.61 52.02 4.64 Favored Glycine 0 N--CA 1.452 -0.3 0 C-N-CA 120.748 -0.739 . . . . 52.229999999999997 112.466 -179.927 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 32' ' ' GLY . . . . . . . . . . . . . . . 85.92 115.83 0.88 Allowed Glycine 0 N--CA 1.451 -0.303 0 C-N-CA 120.691 -0.766 . . . . 43.43 112.551 -179.907 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 33' ' ' GLY . . . . . . . . . . . . . . . -174.94 -113.75 0.34 Allowed Glycine 0 N--CA 1.451 -0.31 0 C-N-CA 120.74 -0.743 . . . . 73.340000000000003 112.439 -179.858 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 34' ' ' GLY . . . . . . . . . . . . . . . -112.24 23.78 15.45 Favored Glycine 0 N--CA 1.452 -0.298 0 C-N-CA 120.681 -0.771 . . . . 54.43 112.421 -179.876 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 35' ' ' GLY . . . . . 0.585 ' C ' HD23 ' B' ' 37' ' ' LEU . . . -158.15 -38.94 0.02 OUTLIER Glycine 0 N--CA 1.453 -0.205 0 C-N-CA 120.722 -0.752 . . . . 42.329999999999998 112.464 -179.957 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' B' B ' 36' ' ' GLU . . . . . . . . . . . . . 33.0 tp10 -51.67 -26.4 9.09 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.842 0.353 . . . . 74.109999999999999 110.856 -179.853 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 37' ' ' LEU . . . . . 0.585 HD23 ' C ' ' B' ' 35' ' ' GLY . 2.3 pt? -52.15 -26.36 11.18 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.138 -0.483 . . . . 73.409999999999997 110.879 -179.955 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' B' B ' 38' ' ' MET . . . . . 0.583 ' HG2' HD21 ' B' ' 26' ' ' LEU . 33.2 ttm -56.74 -22.56 36.47 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.22 -0.445 . . . . 73.340000000000003 110.949 179.816 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' B' B ' 39' ' ' LYS . . . . . 0.583 ' HA ' HD13 ' B' ' 26' ' ' LEU . 10.7 tttt -52.02 -26.31 10.51 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.189 -0.459 . . . . 63.009999999999998 110.896 179.95 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' B' B ' 40' ' ' LEU . . . . . . . . . . . . . 1.8 mt -51.77 -33.06 33.52 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.191 -0.459 . . . . 74.540000000000006 110.918 179.946 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 41' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -75.54 -36.99 60.34 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.221 -0.445 . . . . 64.129999999999995 110.865 179.913 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' B' B ' 42' ' ' GLU . . . . . . . . . . . . . 9.1 tm-20 -52.73 -24.06 7.97 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.159 -0.473 . . . . 72.120000000000005 110.935 -179.849 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 43' ' ' GLU . . . . . . . . . . . . . 2.2 mt-10 -54.54 -21.17 9.45 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.174 -0.466 . . . . 65.530000000000001 110.87 -179.948 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 44' ' ' ALA . . . . . 0.524 ' HB2' ' CH2' ' A' ' 15' ' ' TRP . . . -50.61 -46.47 58.04 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.205 -0.452 . . . . 61.450000000000003 111.1 179.964 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' B' B ' 45' ' ' ALA . . . . . 0.647 ' HB2' ' CB ' ' B' ' 19' ' ' ALA . . . -71.98 -23.04 61.36 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.225 -0.443 . . . . 54.229999999999997 111.103 179.899 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' B' B ' 46' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -66.35 -48.61 69.65 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.22 -0.446 . . . . 65.019999999999996 110.858 179.999 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' B' B ' 47' ' ' LYS . . . . . . . . . . . . . 7.8 mmtm -74.15 -30.58 62.34 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.173 -0.467 . . . . 65.319999999999993 110.934 179.858 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 48' ' ' ALA . . . . . . . . . . . . . . . -62.35 -44.79 95.66 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.24 -0.436 . . . . 50.020000000000003 111.092 179.877 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 49' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -66.83 -28.11 68.09 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.222 -0.444 . . . . 71.030000000000001 110.891 -179.947 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' B' B ' 50' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -73.96 -48.96 26.88 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.138 -0.483 . . . . 63.420000000000002 110.846 -179.95 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' B' B ' 51' ' ' LEU . . . . . 0.471 HD12 ' N ' ' B' ' 52' ' ' PHE . 4.0 pp -72.86 -33.94 66.42 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.197 -0.456 . . . . 73.420000000000002 110.949 -179.954 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' B' B ' 52' ' ' PHE . . . . . 0.471 ' N ' HD12 ' B' ' 51' ' ' LEU . 79.6 t80 -53.86 -27.64 31.2 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.19 -0.459 . . . . 74.239999999999995 110.914 179.931 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' B' B ' 53' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -51.99 -59.13 4.7 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.111 -0.495 . . . . 72.120000000000005 110.902 179.952 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' B' B ' 54' ' ' LEU . . . . . . . . . . . . . 4.5 mm? -75.29 -23.39 57.38 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.272 -0.422 . . . . 74.040000000000006 110.966 179.882 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 55' ' ' ALA . . . . . . . . . . . . . . . -53.93 -35.19 61.42 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.158 -0.474 . . . . 45.109999999999999 111.112 179.752 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 56' ' ' GLU . . . . . . . . . . . . . 3.7 pt-20 -68.81 -26.11 65.01 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.162 -0.472 . . . . 73.299999999999997 110.934 -179.907 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 57' ' ' GLU . . . . . . . . . . . . . 6.4 tp10 -68.36 -50.03 55.99 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.142 -0.481 . . . . 65.239999999999995 110.919 -179.964 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 58' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -78.98 -13.83 59.56 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.147 -0.479 . . . . 74.019999999999996 110.837 -179.928 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' B' B ' 59' ' ' LEU . . . . . 0.911 HD13 ' HB2' ' B' ' 9' ' ' ALA . 32.5 mt -93.04 -67.69 0.84 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.217 -0.447 . . . . 74.209999999999994 110.926 -179.963 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' B' B ' 60' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -119.27 -81.49 0.63 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.194 -0.457 . . . . 64.340000000000003 110.925 179.804 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' B' B ' 61' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 178.49 -69.84 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.203 -0.453 . . . . 54.130000000000003 110.919 179.859 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' B' B ' 62' ' ' LEU . . . . . . . . . . . . . 16.2 mt . . . . . 0 C--N 1.328 -0.33 0 CA-C-N 116.256 -0.429 . . . . 62.25 110.918 179.894 . . . . . . . . 0 0 . 1 . 019 nuclear nobuild core ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.23 0.044 0 CA-C-O 120.891 0.377 . . . . 61.200000000000003 110.851 . . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -179.65 -34.84 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.132 -0.485 . . . . 75.140000000000001 110.894 179.858 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 4.2 mm? -51.39 -64.77 0.71 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.125 -0.489 . . . . 71.140000000000001 110.898 179.929 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 5' ' ' ARG . . . . . 0.452 ' C ' HD12 ' A' ' 59' ' ' LEU . 1.7 ptp180 -72.22 -37.87 69.12 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.264 -0.426 . . . . 72.409999999999997 110.943 179.947 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 6' ' ' GLU . . . . . 0.518 ' N ' HD12 ' A' ' 59' ' ' LEU . 1.5 tm-20 -53.43 -28.61 30.91 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.191 -0.459 . . . . 65.019999999999996 110.912 -179.992 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 1.2 mm-40 -55.54 -30.04 60.04 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.14 -0.482 . . . . 74.230000000000004 110.922 179.992 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -76.11 -29.21 57.78 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.125 -0.488 . . . . 72.109999999999999 111.157 179.909 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 9' ' ' ALA . . . . . 0.675 ' HB2' ' HG ' ' A' ' 59' ' ' LEU . . . -69.52 -37.14 77.0 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.225 -0.443 . . . . 60.119999999999997 111.122 179.904 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 12.6 mtmt -56.19 -26.39 50.59 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.138 -0.483 . . . . 65.109999999999999 110.918 179.937 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 65.0 mt -52.27 -45.57 65.49 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.213 -0.449 . . . . 43.229999999999997 110.864 -179.97 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 23.5 m-85 -73.48 -27.28 61.31 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.217 -0.447 . . . . 75.109999999999999 110.868 179.956 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 1.6 tt0 -58.46 -37.15 74.87 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.159 -0.473 . . . . 65.430000000000007 110.834 -179.898 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 8.1 mt-10 -74.93 -34.91 62.18 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.167 -0.469 . . . . 73.209999999999994 110.893 -179.926 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 15' ' ' TRP . . . . . . . . . . . . . 19.4 m0 -53.91 -54.86 32.81 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.178 -0.465 . . . . 74.540000000000006 110.885 -179.993 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -69.95 -24.42 63.34 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.228 -0.442 . . . . 73.230000000000004 110.96 179.903 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -69.85 -52.64 23.2 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.172 -0.467 . . . . 63.539999999999999 110.901 179.823 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 4.5 mt -54.93 -35.03 63.77 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.17 -0.468 . . . . 65.319999999999993 110.905 179.89 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -61.12 -33.73 73.85 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.225 -0.443 . . . . 74.109999999999999 111.084 179.859 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 1.8 mt-10 -57.58 -49.34 76.71 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.233 -0.439 . . . . 73.219999999999999 110.838 -179.89 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -73.94 -49.58 24.03 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.142 -0.481 . . . . 54.310000000000002 110.879 -179.899 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -55.7 -30.86 61.82 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.122 -0.49 . . . . 52.420000000000002 111.099 179.96 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -71.01 -54.23 11.96 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.134 -0.485 . . . . 40.25 111.189 179.892 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -62.94 -34.8 78.25 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.18 -0.464 . . . . 75.530000000000001 110.944 179.901 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 25' ' ' LEU . . . . . 0.425 HD23 ' HA ' ' A' ' 25' ' ' LEU . 6.4 mt -76.58 -39.03 53.89 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.218 -0.447 . . . . 61.039999999999999 110.984 179.91 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 3.4 mt -50.6 -50.09 54.9 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.137 -0.483 . . . . 45.409999999999997 110.886 179.859 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 22.1 mt-10 -91.03 12.26 20.35 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.169 -0.468 . . . . 73.340000000000003 110.828 179.989 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . -59.44 -14.46 27.49 Favored Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 120.74 -0.743 . . . . 64.109999999999999 112.487 -179.988 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . 135.43 46.01 0.09 OUTLIER Glycine 0 N--CA 1.452 -0.291 0 C-N-CA 120.703 -0.76 . . . . 73.200000000000003 112.486 -179.869 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . -173.03 -55.58 0.05 OUTLIER Glycine 0 N--CA 1.452 -0.243 0 C-N-CA 120.738 -0.744 . . . . 61.240000000000002 112.489 -179.929 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . -56.22 122.38 27.51 Favored Glycine 0 N--CA 1.452 -0.25 0 C-N-CA 120.714 -0.755 . . . . 34.020000000000003 112.499 -179.929 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . -70.99 -119.58 0.05 OUTLIER Glycine 0 N--CA 1.453 -0.227 0 C-N-CA 120.742 -0.742 . . . . 42.350000000000001 112.474 -179.946 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . 93.67 -123.65 7.51 Favored Glycine 0 N--CA 1.451 -0.34 0 C-N-CA 120.755 -0.736 . . . . 74.349999999999994 112.521 -179.819 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 56.94 89.95 0.01 OUTLIER Glycine 0 N--CA 1.451 -0.339 0 C-N-CA 120.774 -0.727 . . . . 61.240000000000002 112.493 -179.877 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 136.7 -168.62 24.16 Favored Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.736 -0.745 . . . . 71.340000000000003 112.484 -179.88 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 16.7 tt0 -54.24 -31.69 54.07 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.847 0.356 . . . . 75.420000000000002 110.886 -179.858 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 37' ' ' LEU . . . . . 0.549 HD12 HD23 ' B' ' 51' ' ' LEU . 33.1 tp -61.46 -57.81 10.69 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.198 -0.455 . . . . 61.520000000000003 110.939 -179.99 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 38' ' ' MET . . . . . . . . . . . . . 1.0 OUTLIER -63.67 -25.67 68.32 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.247 -0.433 . . . . 74.340000000000003 110.876 179.747 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -56.43 -27.89 57.92 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.266 -0.425 . . . . 71.299999999999997 110.912 179.975 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 40' ' ' LEU . . . . . 0.79 ' HB2' HD21 ' B' ' 51' ' ' LEU . 11.4 mt -73.75 -28.44 61.69 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.218 -0.446 . . . . 74.219999999999999 110.956 179.886 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 41' ' ' CYS . . . . . . . . . . . . . 36.4 t -65.36 -38.89 91.46 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.149 -0.478 . . . . 72.019999999999996 110.895 179.964 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -72.8 -26.08 61.38 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.189 -0.46 . . . . 75.530000000000001 110.86 -179.897 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 4.6 mm-40 -59.47 -30.02 68.22 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.148 -0.478 . . . . 74.340000000000003 110.913 -179.951 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -51.94 -43.41 63.47 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.213 -0.449 . . . . 74.310000000000002 111.06 179.933 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -75.15 -23.09 57.75 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.29 -0.413 . . . . 64.0 111.088 179.95 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -71.88 -46.48 57.69 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.221 -0.445 . . . . 73.109999999999999 110.825 179.969 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 47' ' ' LYS . . . . . 0.698 ' CG ' HD22 ' B' ' 40' ' ' LEU . 0.0 OUTLIER -65.25 -56.53 12.24 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.249 -0.432 . . . . 64.129999999999995 110.893 179.914 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -52.89 -46.32 67.93 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.244 -0.435 . . . . 70.109999999999999 111.147 179.799 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 4.1 tt0 -67.28 -42.54 83.64 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.218 -0.446 . . . . 73.040000000000006 110.952 -179.995 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 1.4 mt-10 -59.49 -49.17 78.81 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.121 -0.49 . . . . 73.129999999999995 110.91 -179.962 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 51' ' ' LEU . . . . . 0.781 HD21 ' HB2' ' B' ' 40' ' ' LEU . 1.5 mt -69.91 -43.69 71.2 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.192 -0.458 . . . . 71.400000000000006 110.949 179.958 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 52' ' ' PHE . . . . . . . . . . . . . 16.5 t80 -60.88 -36.71 79.91 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.16 -0.473 . . . . 73.540000000000006 110.896 179.922 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 30.0 tptt -52.19 -58.14 7.52 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.101 -0.5 . . . . 74.450000000000003 110.906 -179.955 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 54' ' ' LEU . . . . . . . . . . . . . 19.0 mt -74.86 -23.51 58.43 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.216 -0.447 . . . . 73.200000000000003 110.959 179.867 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -57.16 -35.55 69.68 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.179 -0.464 . . . . 71.420000000000002 111.089 179.806 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 56' ' ' GLU . . . . . 0.668 ' HB3' HD11 ' A' ' 62' ' ' LEU . 19.9 mt-10 -57.08 -22.67 41.16 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.171 -0.468 . . . . 72.319999999999993 110.848 -179.887 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 52.8 tp10 -72.87 -54.37 8.93 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.131 -0.486 . . . . 64.219999999999999 110.879 -179.854 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -77.36 -22.64 51.43 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.139 -0.482 . . . . 75.239999999999995 110.923 -179.962 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 59' ' ' LEU . . . . . 0.675 ' HG ' ' HB2' ' A' ' 9' ' ' ALA . 3.7 mm? -112.91 -173.93 2.35 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.11 -0.496 . . . . 71.450000000000003 110.879 -179.961 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 2.7 mtpm? 51.33 -169.5 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.146 -0.479 . . . . 61.149999999999999 110.927 179.874 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -121.0 -29.42 4.59 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.26 -0.427 . . . . 65.230000000000004 110.888 179.898 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 62' ' ' LEU . . . . . 0.668 HD11 ' HB3' ' A' ' 56' ' ' GLU . 3.8 pp . . . . . 0 C--N 1.328 -0.345 0 CA-C-N 116.244 -0.434 . . . . 75.319999999999993 110.876 179.921 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 1' ' ' MET . . . . . . . . . . . . . 7.7 mtt . . . . . 0 C--O 1.23 0.069 0 CA-C-O 120.869 0.366 . . . . 71.019999999999996 110.909 . . . . . . . . . 0 0 . 1 . 019 nuclear nobuild core ' B' B ' 2' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 63.39 160.4 0.09 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.181 -0.463 . . . . 73.540000000000006 110.914 179.984 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' B' B ' 3' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -178.45 -37.22 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.201 -0.454 . . . . 74.129999999999995 110.944 179.926 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' B' B ' 4' ' ' LEU . . . . . . . . . . . . . 4.1 mm? -52.49 -62.55 1.57 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.093 -0.503 . . . . 75.230000000000004 110.945 179.905 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 5' ' ' ARG . . . . . 0.456 ' C ' HD12 ' B' ' 59' ' ' LEU . 1.6 ptp180 -70.86 -35.75 72.53 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.142 -0.481 . . . . 72.319999999999993 110.884 179.935 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' B' B ' 6' ' ' GLU . . . . . 0.551 ' N ' HD12 ' B' ' 59' ' ' LEU . 1.4 tm-20 -53.77 -26.65 24.61 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.207 -0.451 . . . . 71.540000000000006 110.878 -179.961 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' B' B ' 7' ' ' GLU . . . . . . . . . . . . . 1.2 mm-40 -53.59 -28.44 32.28 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.141 -0.482 . . . . 71.329999999999998 110.861 -179.907 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 8' ' ' ALA . . . . . . . . . . . . . . . -76.06 -30.76 58.49 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.145 -0.479 . . . . 52.009999999999998 111.102 179.927 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 9' ' ' ALA . . . . . . . . . . . . . . . -71.57 -36.19 70.82 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.251 -0.431 . . . . 44.299999999999997 111.118 179.938 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 10' ' ' LYS . . . . . . . . . . . . . 13.1 mtmt -55.84 -25.05 40.19 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.192 -0.458 . . . . 71.430000000000007 110.899 179.953 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 11' ' ' LEU . . . . . . . . . . . . . 66.2 mt -51.82 -44.89 63.71 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.205 -0.452 . . . . 74.200000000000003 110.981 179.874 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 12' ' ' PHE . . . . . . . . . . . . . 23.4 m-85 -74.04 -28.18 61.29 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.202 -0.454 . . . . 63.229999999999997 110.901 179.918 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 13' ' ' GLU . . . . . . . . . . . . . 1.6 tt0 -57.71 -36.69 72.34 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.167 -0.469 . . . . 73.519999999999996 110.927 -179.966 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 14' ' ' GLU . . . . . . . . . . . . . 8.3 mt-10 -75.09 -35.2 61.8 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.13 -0.487 . . . . 42.109999999999999 110.923 -179.97 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 15' ' ' TRP . . . . . . . . . . . . . 19.4 m0 -53.94 -54.38 39.63 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.128 -0.487 . . . . 71.549999999999997 110.908 -179.939 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 16' ' ' LYS . . . . . 0.486 ' HB3' ' HB3' ' B' ' 48' ' ' ALA . 0.2 OUTLIER -69.23 -24.33 63.99 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.255 -0.429 . . . . 64.310000000000002 110.939 179.92 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' B' B ' 17' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -70.81 -52.49 20.18 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.147 -0.479 . . . . 72.349999999999994 110.877 179.835 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' B' B ' 18' ' ' LEU . . . . . . . . . . . . . 4.5 mt -54.78 -35.05 63.41 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.274 -0.421 . . . . 74.109999999999999 110.902 179.904 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 19' ' ' ALA . . . . . . . . . . . . . . . -61.46 -34.07 74.82 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.216 -0.447 . . . . 64.430000000000007 111.056 179.864 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 20' ' ' GLU . . . . . . . . . . . . . 1.9 mt-10 -57.52 -49.26 76.9 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.182 -0.463 . . . . 72.140000000000001 110.93 -179.954 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 21' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -73.65 -49.89 23.73 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.126 -0.488 . . . . 65.549999999999997 110.891 -179.922 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' B' B ' 22' ' ' ALA . . . . . . . . . . . . . . . -55.54 -30.91 61.58 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.162 -0.472 . . . . 74.420000000000002 111.114 179.943 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 23' ' ' ALA . . . . . . . . . . . . . . . -71.08 -54.32 11.55 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.229 -0.442 . . . . 75.319999999999993 111.079 179.969 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 24' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -62.92 -34.75 78.11 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.22 -0.445 . . . . 74.409999999999997 110.945 179.916 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' B' B ' 25' ' ' LEU . . . . . . . . . . . . . 6.4 mt -76.64 -38.91 53.86 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.246 -0.434 . . . . 75.5 110.954 179.872 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 26' ' ' LEU . . . . . . . . . . . . . 3.4 mt -50.6 -50.11 54.85 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.195 -0.457 . . . . 71.329999999999998 110.974 179.807 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 27' ' ' GLU . . . . . . . . . . . . . 22.0 mt-10 -91.16 12.41 20.15 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.217 -0.447 . . . . 70.140000000000001 110.861 179.934 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 28' ' ' GLY . . . . . . . . . . . . . . . -59.63 -14.43 28.77 Favored Glycine 0 N--CA 1.452 -0.26 0 C-N-CA 120.647 -0.787 . . . . 70.219999999999999 112.444 -179.935 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 29' ' ' GLY . . . . . . . . . . . . . . . 135.46 46.57 0.09 OUTLIER Glycine 0 N--CA 1.45 -0.392 0 C-N-CA 120.759 -0.734 . . . . 72.420000000000002 112.521 -179.889 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 30' ' ' GLY . . . . . . . . . . . . . . . -172.67 -55.92 0.05 OUTLIER Glycine 0 N--CA 1.451 -0.333 0 C-N-CA 120.702 -0.761 . . . . 60.420000000000002 112.475 -179.861 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 31' ' ' GLY . . . . . . . . . . . . . . . -56.56 122.8 29.58 Favored Glycine 0 N--CA 1.452 -0.289 0 C-N-CA 120.739 -0.743 . . . . 64.310000000000002 112.481 -179.855 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 32' ' ' GLY . . . . . . . . . . . . . . . -70.68 -119.56 0.04 OUTLIER Glycine 0 N--CA 1.45 -0.376 0 C-N-CA 120.75 -0.738 . . . . 71.430000000000007 112.501 -179.848 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 33' ' ' GLY . . . . . . . . . . . . . . . 93.75 -123.49 7.46 Favored Glycine 0 N--CA 1.452 -0.282 0 C-N-CA 120.689 -0.767 . . . . 72.239999999999995 112.473 -179.945 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 34' ' ' GLY . . . . . . . . . . . . . . . 57.33 90.08 0.01 OUTLIER Glycine 0 N--CA 1.451 -0.366 0 C-N-CA 120.752 -0.737 . . . . 43.219999999999999 112.463 -179.926 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 35' ' ' GLY . . . . . . . . . . . . . . . 136.65 -169.09 23.97 Favored Glycine 0 N--CA 1.452 -0.25 0 C-N-CA 120.708 -0.758 . . . . 63.420000000000002 112.434 -179.92 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 36' ' ' GLU . . . . . . . . . . . . . 16.8 tt0 -54.66 -32.5 59.31 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-O 120.891 0.377 . . . . 61.020000000000003 110.873 -179.902 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 37' ' ' LEU . . . . . 0.575 HD12 HD23 ' A' ' 51' ' ' LEU . 31.9 tp -61.71 -57.48 11.77 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.18 -0.464 . . . . 62.200000000000003 110.906 -179.954 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' B' B ' 38' ' ' MET . . . . . . . . . . . . . 1.0 OUTLIER -62.62 -25.7 68.24 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.199 -0.455 . . . . 73.319999999999993 110.816 179.905 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' B' B ' 39' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -56.4 -28.0 58.03 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.246 -0.433 . . . . 64.519999999999996 110.951 179.943 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' B' B ' 40' ' ' LEU . . . . . 0.781 ' HB2' HD21 ' A' ' 51' ' ' LEU . 12.0 mt -71.79 -28.77 63.83 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.13 -0.486 . . . . 73.040000000000006 110.969 179.867 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' B' B ' 41' ' ' CYS . . . . . . . . . . . . . 36.4 t -65.48 -39.42 91.91 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.139 -0.482 . . . . 73.319999999999993 110.842 179.998 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 42' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -73.04 -26.38 61.28 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.171 -0.468 . . . . 72.239999999999995 110.825 -179.832 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' B' B ' 43' ' ' GLU . . . . . . . . . . . . . 4.6 mm-40 -59.64 -30.27 68.61 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.214 -0.448 . . . . 70.239999999999995 110.833 -179.871 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 44' ' ' ALA . . . . . . . . . . . . . . . -51.96 -43.53 63.57 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.196 -0.456 . . . . 74.019999999999996 111.07 179.922 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 45' ' ' ALA . . . . . . . . . . . . . . . -74.93 -23.11 58.27 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.195 -0.457 . . . . 63.439999999999998 111.067 179.984 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 46' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -71.9 -47.16 54.6 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.235 -0.439 . . . . 43.119999999999997 110.867 -179.974 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' B' B ' 47' ' ' LYS . . . . . 0.695 ' CG ' HD22 ' A' ' 40' ' ' LEU . 0.0 OUTLIER -65.06 -56.32 13.73 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.226 -0.443 . . . . 53.299999999999997 110.845 179.918 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' B' B ' 48' ' ' ALA . . . . . 0.486 ' HB3' ' HB3' ' B' ' 16' ' ' LYS . . . -52.84 -46.14 67.68 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.194 -0.457 . . . . 64.239999999999995 111.038 179.861 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' B' B ' 49' ' ' GLU . . . . . . . . . . . . . 4.1 tt0 -67.46 -42.96 82.19 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.295 -0.412 . . . . 72.450000000000003 110.868 -179.881 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 50' ' ' GLU . . . . . . . . . . . . . 1.5 mt-10 -60.31 -48.72 80.56 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.161 -0.472 . . . . 73.349999999999994 110.879 -179.951 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 51' ' ' LEU . . . . . 0.79 HD21 ' HB2' ' A' ' 40' ' ' LEU . 1.5 mt -69.63 -42.21 74.61 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 116.191 -0.458 . . . . 63.140000000000001 110.927 -179.997 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' B' B ' 52' ' ' PHE . . . . . . . . . . . . . 15.5 t80 -58.99 -36.66 75.26 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.215 -0.448 . . . . 63.100000000000001 110.855 179.957 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 53' ' ' LYS . . . . . . . . . . . . . 29.3 tptt -52.03 -59.36 4.44 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.147 -0.479 . . . . 61.299999999999997 110.864 179.992 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 54' ' ' LEU . . . . . . . . . . . . . 19.2 mt -75.7 -22.86 56.22 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.255 -0.429 . . . . 71.109999999999999 110.916 179.965 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 55' ' ' ALA . . . . . . . . . . . . . . . -56.44 -31.72 64.22 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.194 -0.457 . . . . 61.219999999999999 111.147 179.751 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 56' ' ' GLU . . . . . 0.401 ' CD ' HD21 ' B' ' 62' ' ' LEU . 25.6 mt-10 -60.02 -39.22 85.1 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.192 -0.458 . . . . 73.420000000000002 110.921 -179.939 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' B' B ' 57' ' ' GLU . . . . . . . . . . . . . 52.9 tp10 -50.36 -56.07 12.92 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.169 -0.468 . . . . 73.439999999999998 110.873 -179.948 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 58' ' ' ARG . . . . . 0.74 ' C ' HD22 ' B' ' 59' ' ' LEU . 0.1 OUTLIER -81.41 -17.77 47.76 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.196 -0.456 . . . . 52.509999999999998 110.911 -179.969 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' B' B ' 59' ' ' LEU . . . . . 0.74 HD22 ' C ' ' B' ' 58' ' ' ARG . 3.4 mm? -136.04 74.11 1.49 Allowed 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.236 -0.438 . . . . 74.510000000000005 110.974 179.986 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' B' B ' 60' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -86.61 145.54 26.69 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.143 -0.48 . . . . 65.430000000000007 110.955 179.836 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' B' B ' 61' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -166.84 -38.46 0.02 OUTLIER 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.291 -0.413 . . . . 63.32 110.872 179.907 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' B' B ' 62' ' ' LEU . . . . . 0.426 ' O ' HD12 ' B' ' 62' ' ' LEU . 2.5 pp . . . . . 0 C--N 1.328 -0.338 0 CA-C-N 116.211 -0.45 . . . . 50.299999999999997 110.868 179.957 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.231 0.118 0 CA-C-O 120.92 0.39 . . . . 73.219999999999999 110.936 . . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 10.9 mtpt -173.73 -39.99 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.27 -0.423 . . . . 73.319999999999993 110.833 179.883 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 4.2 mm? -62.6 -46.5 88.01 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.231 -0.441 . . . . 74.010000000000005 110.948 179.863 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 3.1 ptp180 -71.32 -43.04 67.8 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.171 -0.468 . . . . 63.310000000000002 110.854 179.93 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 6' ' ' GLU . . . . . 0.642 ' HA ' HD22 ' A' ' 59' ' ' LEU . 0.5 OUTLIER -54.07 -29.62 44.96 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.238 -0.437 . . . . 72.230000000000004 110.889 -179.901 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 2.9 mm-40 -64.27 -54.56 31.31 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.167 -0.469 . . . . 74.519999999999996 110.866 -179.878 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -55.27 -27.02 43.64 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.136 -0.484 . . . . 71.430000000000007 111.147 179.898 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -73.72 -40.64 63.42 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.212 -0.449 . . . . 50.32 111.131 179.874 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 4.1 mtmt -58.39 -31.98 68.17 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.215 -0.448 . . . . 74.030000000000001 110.912 179.997 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 55.0 mt -51.69 -43.92 62.93 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.254 -0.43 . . . . 65.349999999999994 110.865 179.936 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 12' ' ' PHE . . . . . 0.569 ' CZ ' HD22 ' A' ' 51' ' ' LEU . 22.1 m-85 -74.15 -27.77 61.0 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.173 -0.467 . . . . 75.140000000000001 110.876 179.992 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 2.7 tt0 -53.74 -27.93 31.39 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.156 -0.474 . . . . 75.040000000000006 110.951 -179.93 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 14' ' ' GLU . . . . . 0.472 ' O ' HD12 ' A' ' 18' ' ' LEU . 11.4 mt-10 -74.89 -35.48 62.28 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.137 -0.483 . . . . 73.340000000000003 110.904 179.988 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 15' ' ' TRP . . . . . 0.609 ' CH2' ' HB2' ' B' ' 44' ' ' ALA . 2.3 t90 -59.52 -48.79 80.27 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.198 -0.455 . . . . 62.350000000000001 110.87 -179.937 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 2.9 ptmm? -75.39 -32.45 60.78 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.246 -0.434 . . . . 74.319999999999993 110.91 179.96 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -64.14 -57.41 9.64 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.241 -0.436 . . . . 64.310000000000002 110.903 179.848 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 18' ' ' LEU . . . . . 0.472 HD12 ' O ' ' A' ' 14' ' ' GLU . 3.0 mt -54.92 -42.2 71.95 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.224 -0.444 . . . . 62.030000000000001 110.903 179.927 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 19' ' ' ALA . . . . . 0.579 ' HB2' ' HB3' ' A' ' 44' ' ' ALA . . . -58.23 -24.09 58.05 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.24 -0.436 . . . . 62.340000000000003 111.113 179.784 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -73.33 -49.5 27.12 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.227 -0.442 . . . . 74.049999999999997 110.866 -179.951 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -73.92 -51.41 16.17 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.164 -0.471 . . . . 62.140000000000001 110.917 -179.961 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -53.27 -30.23 37.4 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.116 -0.493 . . . . 64.400000000000006 111.11 179.953 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -71.15 -54.08 12.29 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.17 -0.468 . . . . 71.340000000000003 111.134 179.867 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 16.5 ptpt -64.75 -33.11 75.19 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.262 -0.426 . . . . 73.400000000000006 110.85 -179.99 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 4.4 mt -76.54 -40.98 48.33 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.227 -0.442 . . . . 74.109999999999999 110.93 179.945 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 7.5 mt -50.78 -49.22 58.77 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.163 -0.471 . . . . 72.239999999999995 110.923 179.875 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 11.7 mt-10 -93.24 12.42 24.6 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.175 -0.466 . . . . 72.519999999999996 110.841 179.944 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . -59.86 -14.14 29.06 Favored Glycine 0 N--CA 1.451 -0.302 0 C-N-CA 120.695 -0.764 . . . . 73.120000000000005 112.483 -179.965 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . 135.45 44.19 0.1 Allowed Glycine 0 N--CA 1.451 -0.348 0 C-N-CA 120.738 -0.744 . . . . 53.530000000000001 112.458 -179.992 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . -178.4 -87.12 0.07 OUTLIER Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.761 -0.733 . . . . 63.0 112.509 -179.917 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . 55.09 -108.95 1.1 Allowed Glycine 0 N--CA 1.451 -0.306 0 C-N-CA 120.766 -0.731 . . . . 72.140000000000001 112.435 -179.943 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . -141.36 -106.39 0.62 Allowed Glycine 0 N--CA 1.451 -0.344 0 C-N-CA 120.727 -0.749 . . . . 71.0 112.482 -179.927 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -111.63 -39.27 1.34 Allowed Glycine 0 N--CA 1.451 -0.364 0 C-N-CA 120.778 -0.725 . . . . 54.020000000000003 112.45 -179.856 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 111.96 115.02 3.42 Favored Glycine 0 N--CA 1.452 -0.283 0 C-N-CA 120.793 -0.718 . . . . 44.32 112.48 -179.892 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 144.38 -136.23 6.62 Favored Glycine 0 N--CA 1.451 -0.3 0 C-N-CA 120.713 -0.756 . . . . 50.219999999999999 112.508 -179.888 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 24.5 tt0 -57.55 -33.01 67.67 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.905 0.383 . . . . 74.219999999999999 110.937 -179.943 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 19.3 tp -64.89 -48.4 74.33 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.099 -0.5 . . . . 71.319999999999993 110.903 -179.911 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 38' ' ' MET . . . . . . . . . . . . . 37.3 ttm -70.95 -44.97 64.98 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.195 -0.457 . . . . 54.200000000000003 110.838 179.807 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -65.28 -28.06 69.07 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.239 -0.437 . . . . 74.120000000000005 110.919 179.954 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 4.3 mt -54.42 -40.24 68.1 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.209 -0.45 . . . . 71.519999999999996 110.909 179.903 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 41' ' ' CYS . . . . . 0.669 ' HA ' HD11 ' B' ' 51' ' ' LEU . 40.5 t -69.84 -37.13 76.06 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.241 -0.436 . . . . 50.020000000000003 110.835 179.973 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -56.44 -25.01 49.13 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.199 -0.455 . . . . 73.200000000000003 110.895 -179.882 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 11.4 mm-40 -54.28 -29.67 48.07 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.193 -0.458 . . . . 75.319999999999993 110.954 -179.985 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 44' ' ' ALA . . . . . 0.66 ' HB2' ' CH2' ' B' ' 15' ' ' TRP . . . -51.69 -43.07 62.64 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.098 -0.501 . . . . 75.510000000000005 111.164 179.845 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -75.1 -22.91 57.95 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.245 -0.434 . . . . 74.219999999999999 111.041 179.971 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 4.1 mttp -77.63 -50.3 12.79 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.239 -0.437 . . . . 32.140000000000001 110.847 -179.968 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -63.54 -49.02 75.11 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.238 -0.437 . . . . 65.450000000000003 110.862 179.911 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 48' ' ' ALA . . . . . 0.504 ' HB2' ' HB3' ' A' ' 15' ' ' TRP . . . -51.84 -37.32 51.44 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.219 -0.446 . . . . 73.439999999999998 111.093 179.826 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -66.65 -34.28 77.53 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.158 -0.474 . . . . 72.310000000000002 110.942 -179.938 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 10.2 mm-40 -74.18 -40.92 62.2 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.162 -0.472 . . . . 73.439999999999998 110.92 -179.988 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 51' ' ' LEU . . . . . 0.636 HD11 ' HA ' ' B' ' 41' ' ' CYS . 3.4 mt -73.02 -48.11 39.16 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.136 -0.484 . . . . 73.5 110.874 -179.921 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 52' ' ' PHE . . . . . . . . . . . . . 35.0 t80 -54.05 -26.85 28.78 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.216 -0.447 . . . . 62.420000000000002 110.948 179.91 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -51.78 -56.17 15.44 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.146 -0.479 . . . . 73.120000000000005 110.935 179.897 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 54' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -75.44 -21.75 57.91 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.264 -0.425 . . . . 72.209999999999994 110.936 179.883 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -54.05 -29.94 45.99 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.228 -0.442 . . . . 73.310000000000002 111.051 179.769 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 56' ' ' GLU . . . . . 0.598 ' HB2' HD21 ' A' ' 62' ' ' LEU . 5.4 pt-20 -76.5 -25.77 54.56 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.256 -0.429 . . . . 74.430000000000007 110.942 -179.968 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 34.9 tp10 -63.06 -46.68 86.32 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.194 -0.457 . . . . 61.219999999999999 110.932 -179.923 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -82.65 -12.58 57.53 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.133 -0.485 . . . . 73.099999999999994 110.878 -179.946 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 59' ' ' LEU . . . . . 0.642 HD22 ' HA ' ' A' ' 6' ' ' GLU . 31.5 tp -121.51 -77.19 0.58 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.185 -0.461 . . . . 73.129999999999995 110.897 -179.913 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 60' ' ' LYS . . . . . 0.478 ' N ' ' O ' ' A' ' 56' ' ' GLU . 2.5 mtpp 70.3 -174.47 0.18 Allowed 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.18 -0.463 . . . . 60.100000000000001 110.937 179.824 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER 66.51 22.25 10.65 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.312 -0.404 . . . . 61.009999999999998 110.873 179.864 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 62' ' ' LEU . . . . . 0.609 ' H ' HD22 ' A' ' 62' ' ' LEU . 0.4 OUTLIER . . . . . 0 C--N 1.328 -0.335 0 CA-C-N 116.256 -0.429 . . . . 45.020000000000003 110.886 -179.987 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' B' B ' 1' ' ' MET . . . . . . . . . . . . . 6.0 ttm . . . . . 0 C--O 1.232 0.155 0 CA-C-O 120.812 0.339 . . . . 54.210000000000001 110.85 . . . . . . . . . 0 0 . 1 . 020 nuclear nobuild core ' B' B ' 2' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -161.39 154.52 21.1 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.281 -0.418 . . . . 71.420000000000002 110.882 179.948 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' B' B ' 3' ' ' LYS . . . . . . . . . . . . . 11.0 mtpt -173.95 -40.14 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.166 -0.47 . . . . 73.239999999999995 110.919 179.879 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 4' ' ' LEU . . . . . . . . . . . . . 4.2 mm? -62.44 -46.16 89.77 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.192 -0.458 . . . . 42.119999999999997 110.892 179.904 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 5' ' ' ARG . . . . . . . . . . . . . 2.8 ptp180 -71.31 -42.58 68.45 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.172 -0.467 . . . . 74.519999999999996 110.833 179.988 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 6' ' ' GLU . . . . . 0.6 ' HA ' HD22 ' B' ' 59' ' ' LEU . 0.5 OUTLIER -53.66 -29.51 38.86 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.256 -0.429 . . . . 70.150000000000006 110.893 -179.927 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' B' B ' 7' ' ' GLU . . . . . . . . . . . . . 3.0 mm-40 -63.46 -54.52 35.14 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.183 -0.462 . . . . 72.019999999999996 110.912 -179.935 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 8' ' ' ALA . . . . . . . . . . . . . . . -56.24 -26.83 52.85 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.129 -0.487 . . . . 70.540000000000006 111.047 179.928 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 9' ' ' ALA . . . . . . . . . . . . . . . -71.68 -38.76 70.57 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.191 -0.458 . . . . 73.200000000000003 111.121 179.953 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 10' ' ' LYS . . . . . . . . . . . . . 4.5 mtmt -55.9 -34.07 65.22 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.194 -0.457 . . . . 72.049999999999997 110.91 -179.994 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 11' ' ' LEU . . . . . . . . . . . . . 40.2 mt -51.82 -42.73 62.75 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.179 -0.464 . . . . 72.549999999999997 110.961 179.928 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 12' ' ' PHE . . . . . 0.806 ' CE1' HD22 ' B' ' 51' ' ' LEU . 23.4 m-85 -74.16 -27.48 60.85 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.199 -0.455 . . . . 73.0 110.906 179.868 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' B' B ' 13' ' ' GLU . . . . . . . . . . . . . 2.7 tt0 -53.82 -32.52 53.08 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.103 -0.499 . . . . 62.420000000000002 110.853 -179.861 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 14' ' ' GLU . . . . . . . . . . . . . 8.4 mt-10 -75.0 -29.24 60.82 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.246 -0.434 . . . . 73.409999999999997 110.849 -179.944 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 15' ' ' TRP . . . . . 0.66 ' CH2' ' HB2' ' A' ' 44' ' ' ALA . 2.2 t90 -61.63 -52.13 65.62 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.166 -0.47 . . . . 65.340000000000003 110.926 -179.989 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' B' B ' 16' ' ' LYS . . . . . 0.693 ' HB3' ' HB1' ' B' ' 48' ' ' ALA . 3.0 ptmm? -75.98 -32.74 59.6 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.319 -0.401 . . . . 72.329999999999998 110.902 179.865 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' B' B ' 17' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -58.83 -62.21 2.04 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.248 -0.433 . . . . 71.409999999999997 110.894 179.884 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' B' B ' 18' ' ' LEU . . . . . . . . . . . . . 3.3 mt -54.94 -43.39 73.35 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 116.264 -0.425 . . . . 53.299999999999997 110.872 179.914 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 19' ' ' ALA . . . . . . . . . . . . . . . -57.96 -21.66 45.31 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.199 -0.455 . . . . 71.230000000000004 111.169 179.754 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 20' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -73.05 -49.21 29.95 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.124 -0.489 . . . . 65.319999999999993 110.869 -179.909 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' B' B ' 21' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -71.59 -51.78 21.56 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.147 -0.479 . . . . 73.150000000000006 110.855 -179.908 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' B' B ' 22' ' ' ALA . . . . . . . . . . . . . . . -53.94 -30.45 46.63 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.145 -0.48 . . . . 71.439999999999998 111.15 179.893 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 23' ' ' ALA . . . . . . . . . . . . . . . -71.54 -53.63 13.19 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.242 -0.435 . . . . 53.130000000000003 111.08 179.969 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 24' ' ' LYS . . . . . . . . . . . . . 16.5 ptpt -64.63 -33.66 76.45 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.234 -0.439 . . . . 75.319999999999993 110.845 -179.994 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 25' ' ' LEU . . . . . 0.409 ' HA ' HD23 ' B' ' 25' ' ' LEU . 5.1 mt -76.34 -40.44 51.3 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.219 -0.446 . . . . 75.140000000000001 110.92 179.951 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' B' B ' 26' ' ' LEU . . . . . . . . . . . . . 7.0 mt -50.62 -50.05 55.22 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.144 -0.48 . . . . 71.239999999999995 110.875 179.878 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 27' ' ' GLU . . . . . . . . . . . . . 12.6 mt-10 -95.15 12.54 28.39 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.288 -0.415 . . . . 72.319999999999993 110.896 179.935 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 28' ' ' GLY . . . . . . . . . . . . . . . -59.64 -14.46 28.93 Favored Glycine 0 N--CA 1.451 -0.33 0 C-N-CA 120.727 -0.749 . . . . 74.340000000000003 112.49 -179.943 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 29' ' ' GLY . . . . . . . . . . . . . . . 135.23 45.63 0.1 OUTLIER Glycine 0 N--CA 1.451 -0.325 0 C-N-CA 120.727 -0.749 . . . . 42.439999999999998 112.449 -179.962 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 30' ' ' GLY . . . . . . . . . . . . . . . -176.88 -87.36 0.07 OUTLIER Glycine 0 N--CA 1.452 -0.29 0 C-N-CA 120.75 -0.738 . . . . 74.409999999999997 112.469 -179.96 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 31' ' ' GLY . . . . . . . . . . . . . . . 55.69 -107.16 0.73 Allowed Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.752 -0.737 . . . . 64.420000000000002 112.535 -179.816 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 32' ' ' GLY . . . . . . . . . . . . . . . -140.63 -106.38 0.64 Allowed Glycine 0 N--CA 1.451 -0.352 0 C-N-CA 120.742 -0.742 . . . . 45.340000000000003 112.502 -179.881 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 33' ' ' GLY . . . . . . . . . . . . . . . -111.51 -38.02 1.52 Allowed Glycine 0 N--CA 1.45 -0.381 0 C-N-CA 120.725 -0.75 . . . . 51.25 112.538 -179.979 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 34' ' ' GLY . . . . . . . . . . . . . . . 112.26 112.94 3.24 Favored Glycine 0 N--CA 1.452 -0.3 0 C-N-CA 120.753 -0.737 . . . . 73.439999999999998 112.512 -179.911 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 35' ' ' GLY . . . . . . . . . . . . . . . 142.47 -135.5 6.63 Favored Glycine 0 N--CA 1.451 -0.335 0 C-N-CA 120.696 -0.764 . . . . 71.049999999999997 112.463 -179.903 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 36' ' ' GLU . . . . . . . . . . . . . 24.4 tt0 -57.66 -31.64 66.52 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 120.867 0.365 . . . . 75.310000000000002 110.926 -179.931 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 37' ' ' LEU . . . . . . . . . . . . . 19.8 tp -63.73 -48.49 76.85 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.139 -0.482 . . . . 61.200000000000003 110.923 179.991 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 38' ' ' MET . . . . . . . . . . . . . 37.6 ttm -72.53 -44.32 62.34 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.204 -0.453 . . . . 64.519999999999996 110.845 179.876 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 39' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -64.29 -27.87 69.33 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.252 -0.431 . . . . 75.25 110.885 179.979 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' B' B ' 40' ' ' LEU . . . . . . . . . . . . . 4.1 mt -53.99 -43.04 69.65 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.24 -0.437 . . . . 73.010000000000005 110.903 179.922 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 41' ' ' CYS . . . . . 0.636 ' HA ' HD11 ' A' ' 51' ' ' LEU . 32.5 t -75.11 -27.43 59.84 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.199 -0.455 . . . . 74.239999999999995 110.916 179.949 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' B' B ' 42' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -53.65 -25.56 18.53 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.165 -0.47 . . . . 63.009999999999998 110.871 -179.888 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' B' B ' 43' ' ' GLU . . . . . . . . . . . . . 11.5 mm-40 -54.6 -33.06 59.78 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.165 -0.471 . . . . 64.239999999999995 110.857 -179.931 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 44' ' ' ALA . . . . . 0.609 ' HB2' ' CH2' ' A' ' 15' ' ' TRP . . . -51.63 -42.57 62.11 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.122 -0.49 . . . . 74.510000000000005 111.103 179.957 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' B' B ' 45' ' ' ALA . . . . . . . . . . . . . . . -74.92 -23.07 58.29 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.24 -0.436 . . . . 63.229999999999997 111.159 179.874 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 46' ' ' LYS . . . . . . . . . . . . . 4.1 mttp -78.13 -49.92 12.98 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.135 -0.484 . . . . 70.439999999999998 110.865 -179.98 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 47' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -62.44 -43.56 98.52 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.295 -0.411 . . . . 71.219999999999999 110.858 179.919 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' B' B ' 48' ' ' ALA . . . . . 0.693 ' HB1' ' HB3' ' B' ' 16' ' ' LYS . . . -51.86 -41.45 61.88 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.3 -0.409 . . . . 43.530000000000001 111.113 179.77 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' B' B ' 49' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -70.63 -32.03 69.21 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.197 -0.456 . . . . 70.329999999999998 110.838 -179.878 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' B' B ' 50' ' ' GLU . . . . . . . . . . . . . 10.0 mm-40 -73.98 -41.09 62.45 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.157 -0.474 . . . . 54.420000000000002 110.957 -179.98 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 51' ' ' LEU . . . . . 0.806 HD22 ' CE1' ' B' ' 12' ' ' PHE . 4.6 mt -72.53 -53.23 12.6 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.173 -0.467 . . . . 74.010000000000005 110.942 179.995 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' B' B ' 52' ' ' PHE . . . . . . . . . . . . . 34.8 t80 -56.11 -24.89 43.42 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.174 -0.467 . . . . 75.519999999999996 110.898 179.907 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 53' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -52.37 -56.02 17.71 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.182 -0.463 . . . . 71.140000000000001 110.878 -179.991 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' B' B ' 54' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -75.28 -21.95 58.14 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.22 -0.446 . . . . 65.120000000000005 110.968 179.844 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' B' B ' 55' ' ' ALA . . . . . . . . . . . . . . . -53.87 -30.0 43.91 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.169 -0.469 . . . . 64.430000000000007 111.076 179.827 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 56' ' ' GLU . . . . . 0.601 ' HB2' HD21 ' B' ' 62' ' ' LEU . 5.4 pt-20 -76.82 -25.82 53.67 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.262 -0.426 . . . . 74.409999999999997 110.876 -179.963 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' B' B ' 57' ' ' GLU . . . . . . . . . . . . . 34.9 tp10 -62.96 -46.7 86.48 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.185 -0.461 . . . . 53.109999999999999 110.863 -179.895 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 58' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -82.64 -12.7 57.46 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.227 -0.442 . . . . 74.120000000000005 110.879 -179.934 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' B' B ' 59' ' ' LEU . . . . . 0.6 HD22 ' HA ' ' B' ' 6' ' ' GLU . 29.4 tp -121.3 -77.17 0.58 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.205 -0.452 . . . . 51.140000000000001 110.918 -179.977 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' B' B ' 60' ' ' LYS . . . . . 0.477 ' N ' ' O ' ' B' ' 56' ' ' GLU . 2.6 mtpp 70.35 -174.5 0.18 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.129 -0.487 . . . . 73.140000000000001 110.922 179.873 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' B' B ' 61' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER 66.28 22.6 10.88 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.226 -0.443 . . . . 71.420000000000002 110.896 179.851 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' B' B ' 62' ' ' LEU . . . . . 0.619 HD22 ' H ' ' B' ' 62' ' ' LEU . 0.4 OUTLIER . . . . . 0 C--N 1.329 -0.324 0 CA-C-N 116.212 -0.449 . . . . 70.329999999999998 110.871 179.954 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . 0.635 ' H1 ' ' HB3' ' A' ' 60' ' ' LYS . 0.0 OUTLIER . . . . . 0 C--O 1.232 0.133 0 CA-C-O 120.879 0.371 . . . . 71.25 110.861 . . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 33.9 tptt -73.03 -74.58 0.17 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.252 -0.431 . . . . 75.120000000000005 110.849 179.978 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 3' ' ' LYS . . . . . 0.42 ' C ' HD22 ' A' ' 4' ' ' LEU . 0.2 OUTLIER -179.33 -37.76 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.235 -0.439 . . . . 50.32 110.913 179.955 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 4' ' ' LEU . . . . . 0.42 HD22 ' C ' ' A' ' 3' ' ' LYS . 4.3 mm? -116.89 -26.98 6.72 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.224 -0.443 . . . . 74.409999999999997 110.902 179.933 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 2.1 mtt85 -72.05 -45.46 60.69 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.205 -0.452 . . . . 73.209999999999994 110.908 179.951 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 2.4 tt0 -53.81 -28.23 34.01 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.17 -0.468 . . . . 74.310000000000002 110.926 -179.99 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 15.9 mm-40 -54.96 -29.93 57.86 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.16 -0.473 . . . . 73.349999999999994 110.903 -179.941 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -74.15 -26.98 60.62 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.168 -0.469 . . . . 71.140000000000001 111.093 179.896 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 9' ' ' ALA . . . . . 0.901 ' HB2' HD23 ' A' ' 59' ' ' LEU . . . -64.13 -40.86 97.08 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.213 -0.449 . . . . 45.109999999999999 111.093 179.946 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -65.77 -35.13 79.85 Favored 'General case' 0 C--N 1.33 -0.283 0 CA-C-N 116.188 -0.46 . . . . 61.0 110.904 -179.973 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 51.1 mt -51.89 -44.06 63.59 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.221 -0.445 . . . . 65.239999999999995 110.942 179.881 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 12' ' ' PHE . . . . . 0.4 ' CZ ' HD21 ' B' ' 26' ' ' LEU . 22.4 m-85 -74.09 -23.51 59.34 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.121 -0.49 . . . . 71.030000000000001 110.811 -179.984 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -59.03 -37.38 76.82 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.195 -0.457 . . . . 73.239999999999995 110.913 -179.952 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 7.4 mt-10 -75.02 -34.97 61.97 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.151 -0.477 . . . . 75.430000000000007 110.823 -179.895 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 15' ' ' TRP . . . . . . . . . . . . . 11.4 m0 -55.76 -47.67 76.61 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 116.178 -0.465 . . . . 64.439999999999998 110.932 -179.902 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 12.4 tttm -76.62 -25.93 54.38 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.226 -0.443 . . . . 72.129999999999995 110.917 179.871 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -67.9 -59.14 3.51 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.237 -0.438 . . . . 73.239999999999995 110.889 179.864 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 19.1 mt -55.18 -32.68 62.37 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.229 -0.442 . . . . 74.340000000000003 110.888 179.876 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 19' ' ' ALA . . . . . 0.435 ' O ' ' HB2' ' A' ' 23' ' ' ALA . . . -63.38 -24.82 68.01 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.216 -0.447 . . . . 72.349999999999994 111.108 179.81 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 1.3 mt-10 -73.08 -49.54 27.93 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.274 -0.421 . . . . 75.109999999999999 110.879 -179.907 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 2.1 mm-40 -74.26 -48.47 28.47 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.131 -0.486 . . . . 71.319999999999993 110.928 -179.929 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -57.78 -22.42 47.06 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.111 -0.495 . . . . 53.329999999999998 111.074 179.947 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 23' ' ' ALA . . . . . 0.435 ' HB2' ' O ' ' A' ' 19' ' ' ALA . . . -75.95 -54.86 6.23 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.197 -0.456 . . . . 51.299999999999997 111.079 179.961 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -65.87 -30.44 71.05 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.251 -0.431 . . . . 62.119999999999997 110.919 179.961 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 25' ' ' LEU . . . . . 0.429 HD23 ' HA ' ' A' ' 25' ' ' LEU . 5.8 mt -77.82 -41.67 36.31 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.223 -0.444 . . . . 73.209999999999994 110.845 179.976 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 5.4 mt -50.38 -50.33 51.86 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 116.215 -0.448 . . . . 71.310000000000002 110.963 179.876 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 1.7 mt-10 -90.78 12.29 19.72 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.13 -0.486 . . . . 65.109999999999999 110.914 179.859 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . -59.71 -14.25 28.5 Favored Glycine 0 N--CA 1.451 -0.351 0 C-N-CA 120.816 -0.707 . . . . 54.549999999999997 112.499 -179.985 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . 135.36 45.25 0.1 OUTLIER Glycine 0 N--CA 1.452 -0.283 0 C-N-CA 120.709 -0.757 . . . . 65.510000000000005 112.518 -179.88 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . -111.85 -44.98 0.85 Allowed Glycine 0 N--CA 1.451 -0.306 0 C-N-CA 120.72 -0.752 . . . . 62.100000000000001 112.432 -179.883 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . -175.88 130.98 1.8 Allowed Glycine 0 N--CA 1.452 -0.275 0 C-N-CA 120.779 -0.724 . . . . 44.439999999999998 112.51 -179.899 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . -137.9 111.29 0.81 Allowed Glycine 0 N--CA 1.451 -0.33 0 C-N-CA 120.773 -0.727 . . . . 72.239999999999995 112.492 -179.942 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -111.39 -45.18 0.87 Allowed Glycine 0 N--CA 1.451 -0.306 0 C-N-CA 120.753 -0.737 . . . . 64.420000000000002 112.472 -179.918 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . -152.26 156.29 26.61 Favored Glycine 0 N--CA 1.452 -0.263 0 C-N-CA 120.655 -0.783 . . . . 71.030000000000001 112.468 -179.884 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . -69.05 -47.05 56.44 Favored Glycine 0 N--CA 1.451 -0.336 0 C-N-CA 120.73 -0.748 . . . . 62.32 112.452 -179.843 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 13.9 tt0 -60.84 -37.05 80.73 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 120.886 0.374 . . . . 73.040000000000006 110.849 -179.89 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 46.5 tp -52.66 -56.74 13.32 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.232 -0.44 . . . . 72.329999999999998 110.967 -179.972 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 38' ' ' MET . . . . . . . . . . . . . 0.9 OUTLIER -67.37 -26.89 66.69 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.177 -0.465 . . . . 62.119999999999997 110.88 179.82 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 22.3 tttt -54.03 -29.65 44.52 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.206 -0.452 . . . . 73.329999999999998 110.853 179.968 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 40' ' ' LEU . . . . . 0.601 ' HB3' HD23 ' B' ' 51' ' ' LEU . 22.3 mt -61.94 -29.47 70.25 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.265 -0.425 . . . . 61.439999999999998 110.877 179.96 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 41' ' ' CYS . . . . . . . . . . . . . 23.0 m -71.88 -49.2 40.03 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.199 -0.455 . . . . 51.340000000000003 110.834 179.981 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 2.1 mt-10 -65.8 -25.98 67.48 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.168 -0.469 . . . . 74.120000000000005 110.876 -179.822 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 2.9 mm-40 -54.99 -28.1 49.3 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.197 -0.456 . . . . 75.5 110.907 -179.923 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -51.94 -43.34 63.43 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.098 -0.501 . . . . 45.310000000000002 111.08 179.894 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -75.09 -23.67 58.01 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.236 -0.438 . . . . 44.310000000000002 111.093 179.929 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -69.06 -46.82 66.87 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 116.291 -0.413 . . . . 75.420000000000002 110.925 179.9 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 3.6 mptp? -66.88 -56.9 8.26 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.208 -0.451 . . . . 73.109999999999999 110.927 179.886 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -54.45 -27.25 36.06 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.247 -0.433 . . . . 43.130000000000003 111.035 179.832 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 4.1 tm-20 -70.28 -44.39 68.48 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.228 -0.442 . . . . 73.349999999999994 110.874 -179.888 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -54.19 -51.03 65.65 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.144 -0.48 . . . . 75.450000000000003 110.93 -179.935 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 51' ' ' LEU . . . . . 0.605 HD23 ' HB3' ' B' ' 40' ' ' LEU . 3.4 pp -73.0 -30.91 64.15 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.1 -0.5 . . . . 61.020000000000003 110.912 -179.963 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 52' ' ' PHE . . . . . . . . . . . . . 61.2 t80 -60.49 -24.03 64.97 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.215 -0.448 . . . . 71.319999999999993 110.893 179.92 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -70.33 -56.67 6.15 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.121 -0.49 . . . . 75.450000000000003 110.955 179.948 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 54' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -72.46 -25.51 61.47 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.138 -0.483 . . . . 64.239999999999995 110.889 179.905 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 55' ' ' ALA . . . . . 0.489 ' O ' HD13 ' A' ' 59' ' ' LEU . . . -56.09 -25.0 43.65 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.211 -0.449 . . . . 73.349999999999994 111.1 179.841 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 7.2 mt-10 -77.0 -26.23 53.61 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.215 -0.448 . . . . 70.329999999999998 110.904 -179.96 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -61.46 -49.31 77.3 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.132 -0.485 . . . . 71.409999999999997 110.882 -179.867 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -78.04 -21.76 50.21 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.201 -0.454 . . . . 72.340000000000003 110.881 -179.966 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 59' ' ' LEU . . . . . 0.901 HD23 ' HB2' ' A' ' 9' ' ' ALA . 6.5 mp -85.13 -77.5 0.28 Allowed 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.213 -0.449 . . . . 72.120000000000005 110.974 179.96 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 60' ' ' LYS . . . . . 0.635 ' HB3' ' H1 ' ' A' ' 1' ' ' MET . 0.0 OUTLIER -100.98 -175.66 2.94 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.238 -0.437 . . . . 63.100000000000001 110.964 179.749 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 8.6 mtpt -114.76 87.14 2.58 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.259 -0.428 . . . . 74.129999999999995 110.878 179.925 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 11.5 mt . . . . . 0 C--N 1.329 -0.302 0 CA-C-N 116.211 -0.449 . . . . 75.420000000000002 110.967 179.907 . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' B' B ' 1' ' ' MET . . . . . 0.597 ' H1 ' ' HB3' ' B' ' 60' ' ' LYS . 0.0 OUTLIER . . . . . 0 C--O 1.232 0.152 0 CA-C-O 120.858 0.361 . . . . 71.409999999999997 110.929 . . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 2' ' ' LYS . . . . . . . . . . . . . 33.9 tptt -72.94 -74.56 0.17 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.241 -0.436 . . . . 60.409999999999997 110.822 -179.939 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 3' ' ' LYS . . . . . 0.428 ' C ' HD22 ' B' ' 4' ' ' LEU . 0.2 OUTLIER -179.38 -37.69 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.203 -0.453 . . . . 74.230000000000004 110.887 179.891 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' B' B ' 4' ' ' LEU . . . . . 0.428 HD22 ' C ' ' B' ' 3' ' ' LYS . 4.3 mm? -116.94 -26.93 6.72 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.248 -0.433 . . . . 72.040000000000006 110.901 179.939 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 5' ' ' ARG . . . . . . . . . . . . . 2.1 mtt85 -72.06 -45.51 60.48 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.216 -0.447 . . . . 74.310000000000002 110.875 179.942 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 6' ' ' GLU . . . . . . . . . . . . . 2.5 tt0 -53.79 -28.27 34.02 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.209 -0.45 . . . . 62.439999999999998 110.836 -179.893 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 7' ' ' GLU . . . . . . . . . . . . . 16.0 mm-40 -54.94 -29.98 57.72 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.211 -0.45 . . . . 72.319999999999993 110.906 -179.897 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 8' ' ' ALA . . . . . . . . . . . . . . . -74.08 -27.02 60.7 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.105 -0.498 . . . . 62.530000000000001 111.124 179.878 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 9' ' ' ALA . . . . . 0.918 ' HB2' HD23 ' B' ' 59' ' ' LEU . . . -64.18 -40.85 96.97 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.237 -0.438 . . . . 64.109999999999999 111.07 179.933 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 10' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -65.67 -35.29 80.35 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.278 -0.419 . . . . 70.129999999999995 110.94 179.957 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 11' ' ' LEU . . . . . . . . . . . . . 50.7 mt -51.94 -44.03 63.74 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.196 -0.456 . . . . 42.049999999999997 110.895 179.92 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 12' ' ' PHE . . . . . . . . . . . . . 22.3 m-85 -73.99 -23.53 59.46 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.227 -0.442 . . . . 62.109999999999999 110.903 179.933 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 13' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -58.62 -37.36 75.71 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.094 -0.503 . . . . 74.420000000000002 110.914 -179.937 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 14' ' ' GLU . . . . . . . . . . . . . 7.4 mt-10 -75.02 -34.89 61.97 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.123 -0.49 . . . . 61.009999999999998 110.898 -179.943 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 15' ' ' TRP . . . . . . . . . . . . . 11.3 m0 -55.36 -47.9 75.08 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.181 -0.463 . . . . 70.209999999999994 110.924 -179.997 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 16' ' ' LYS . . . . . . . . . . . . . 12.4 tttm -76.56 -26.11 54.76 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.224 -0.444 . . . . 71.019999999999996 110.865 179.996 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 17' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -68.12 -58.99 3.58 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.217 -0.447 . . . . 52.109999999999999 110.827 179.925 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 18' ' ' LEU . . . . . . . . . . . . . 19.0 mt -55.26 -32.43 62.34 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.239 -0.437 . . . . 73.140000000000001 110.956 179.912 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 19' ' ' ALA . . . . . 0.437 ' O ' ' HB2' ' B' ' 23' ' ' ALA . . . -63.74 -24.74 67.89 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.113 -0.494 . . . . 72.150000000000006 111.096 179.837 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 20' ' ' GLU . . . . . . . . . . . . . 1.3 mt-10 -73.24 -49.54 27.28 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.212 -0.449 . . . . 55.32 110.871 -179.923 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 21' ' ' GLU . . . . . . . . . . . . . 2.1 mm-40 -74.23 -48.44 28.8 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.151 -0.477 . . . . 73.349999999999994 110.895 -179.929 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 22' ' ' ALA . . . . . . . . . . . . . . . -57.86 -22.2 46.77 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.177 -0.465 . . . . 42.140000000000001 111.135 179.953 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 23' ' ' ALA . . . . . 0.437 ' HB2' ' O ' ' B' ' 19' ' ' ALA . . . -76.01 -54.82 6.29 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.198 -0.456 . . . . 71.409999999999997 111.097 179.897 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 24' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -65.93 -30.41 70.99 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.234 -0.439 . . . . 74.439999999999998 110.932 179.936 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 25' ' ' LEU . . . . . 0.414 HD23 ' HA ' ' B' ' 25' ' ' LEU . 5.8 mt -77.79 -41.64 36.63 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.211 -0.449 . . . . 63.119999999999997 110.923 179.895 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 26' ' ' LEU . . . . . 0.4 HD21 ' CZ ' ' A' ' 12' ' ' PHE . 5.4 mt -50.46 -50.32 52.71 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.16 -0.473 . . . . 55.399999999999999 110.88 179.919 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 27' ' ' GLU . . . . . . . . . . . . . 1.7 mt-10 -90.8 12.19 20.09 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.194 -0.457 . . . . 70.120000000000005 110.883 179.962 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 28' ' ' GLY . . . . . . . . . . . . . . . -59.69 -14.24 28.28 Favored Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.742 -0.742 . . . . 71.109999999999999 112.506 -179.975 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 29' ' ' GLY . . . . . . . . . . . . . . . 135.43 45.21 0.1 OUTLIER Glycine 0 N--CA 1.452 -0.266 0 C-N-CA 120.673 -0.775 . . . . 62.240000000000002 112.46 -179.929 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 30' ' ' GLY . . . . . . . . . . . . . . . -111.81 -44.82 0.86 Allowed Glycine 0 N--CA 1.45 -0.4 0 C-N-CA 120.732 -0.746 . . . . 75.310000000000002 112.537 -179.918 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 31' ' ' GLY . . . . . . . . . . . . . . . -176.01 131.13 1.82 Allowed Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.738 -0.744 . . . . 61.009999999999998 112.45 -179.993 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 32' ' ' GLY . . . . . . . . . . . . . . . -137.95 111.17 0.8 Allowed Glycine 0 N--CA 1.452 -0.248 0 C-N-CA 120.75 -0.738 . . . . 71.439999999999998 112.512 -179.929 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 33' ' ' GLY . . . . . . . . . . . . . . . -111.42 -45.1 0.87 Allowed Glycine 0 N--CA 1.452 -0.292 0 C-N-CA 120.655 -0.783 . . . . 73.420000000000002 112.507 -179.921 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 34' ' ' GLY . . . . . . . . . . . . . . . -152.24 156.24 26.59 Favored Glycine 0 N--CA 1.452 -0.296 0 C-N-CA 120.727 -0.749 . . . . 51.310000000000002 112.493 -179.868 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 35' ' ' GLY . . . . . . . . . . . . . . . -68.86 -47.13 57.13 Favored Glycine 0 N--CA 1.45 -0.387 0 C-N-CA 120.724 -0.751 . . . . 52.030000000000001 112.506 -179.902 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 36' ' ' GLU . . . . . . . . . . . . . 14.0 tt0 -60.81 -37.13 80.91 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 120.925 0.393 . . . . 73.109999999999999 110.848 -179.866 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 37' ' ' LEU . . . . . . . . . . . . . 46.7 tp -52.63 -56.75 13.23 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.18 -0.464 . . . . 72.209999999999994 110.991 179.996 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 38' ' ' MET . . . . . . . . . . . . . 0.9 OUTLIER -67.2 -26.96 66.88 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.226 -0.443 . . . . 70.510000000000005 110.884 179.769 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 39' ' ' LYS . . . . . . . . . . . . . 22.2 tttt -54.06 -29.56 44.64 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.253 -0.431 . . . . 65.430000000000007 110.914 179.952 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 40' ' ' LEU . . . . . 0.605 ' HB3' HD23 ' A' ' 51' ' ' LEU . 22.6 mt -61.84 -29.36 70.12 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.219 -0.446 . . . . 70.439999999999998 110.959 179.872 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 41' ' ' CYS . . . . . . . . . . . . . 23.5 m -71.77 -49.32 39.95 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.176 -0.466 . . . . 73.109999999999999 110.897 179.906 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 42' ' ' GLU . . . . . . . . . . . . . 2.1 mt-10 -65.83 -25.87 67.41 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.179 -0.464 . . . . 74.140000000000001 110.878 -179.843 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 43' ' ' GLU . . . . . . . . . . . . . 2.9 mm-40 -55.0 -28.3 50.92 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 116.18 -0.463 . . . . 75.340000000000003 110.876 -179.966 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 44' ' ' ALA . . . . . . . . . . . . . . . -51.92 -43.25 63.33 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.169 -0.469 . . . . 71.010000000000005 111.127 179.954 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 45' ' ' ALA . . . . . . . . . . . . . . . -75.08 -23.74 58.06 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.193 -0.458 . . . . 60.130000000000003 111.064 179.933 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 46' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -69.18 -46.8 66.6 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.21 -0.45 . . . . 74.349999999999994 110.873 179.984 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 47' ' ' LYS . . . . . . . . . . . . . 3.6 mptp? -66.99 -56.87 8.27 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.252 -0.431 . . . . 71.319999999999993 110.928 179.881 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 48' ' ' ALA . . . . . . . . . . . . . . . -54.39 -27.07 34.08 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.261 -0.427 . . . . 53.229999999999997 111.114 179.799 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 49' ' ' GLU . . . . . . . . . . . . . 4.1 tm-20 -70.43 -44.33 68.11 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.2 -0.455 . . . . 65.549999999999997 110.932 -179.945 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 50' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -54.03 -51.05 65.23 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.13 -0.486 . . . . 71.439999999999998 110.96 179.979 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 51' ' ' LEU . . . . . 0.601 HD23 ' HB3' ' A' ' 40' ' ' LEU . 3.5 pp -73.05 -31.01 64.14 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.119 -0.491 . . . . 62.340000000000003 110.931 -179.991 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 52' ' ' PHE . . . . . . . . . . . . . 60.8 t80 -60.58 -24.02 65.11 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.192 -0.458 . . . . 73.409999999999997 110.89 179.94 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 53' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -70.34 -56.75 5.93 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.104 -0.498 . . . . 73.299999999999997 110.894 179.96 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 54' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -72.4 -25.51 61.52 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.217 -0.447 . . . . 70.239999999999995 110.912 179.883 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 55' ' ' ALA . . . . . 0.507 ' O ' HD13 ' B' ' 59' ' ' LEU . . . -56.08 -24.96 43.34 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.27 -0.423 . . . . 73.019999999999996 111.118 179.855 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 56' ' ' GLU . . . . . . . . . . . . . 7.2 mt-10 -77.11 -26.18 53.02 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.166 -0.47 . . . . 64.030000000000001 110.864 -179.937 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 57' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -61.49 -49.28 77.38 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.15 -0.477 . . . . 63.140000000000001 110.83 -179.88 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 58' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -78.06 -21.83 50.01 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.241 -0.436 . . . . 70.040000000000006 110.816 -179.884 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 59' ' ' LEU . . . . . 0.918 HD23 ' HB2' ' B' ' 9' ' ' ALA . 6.5 mp -85.1 -77.55 0.28 Allowed 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.202 -0.454 . . . . 73.109999999999999 110.874 -179.952 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 60' ' ' LYS . . . . . 0.597 ' HB3' ' H1 ' ' B' ' 1' ' ' MET . 0.0 OUTLIER -100.99 -175.56 2.91 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.195 -0.457 . . . . 73.439999999999998 110.912 179.849 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' B' B ' 61' ' ' LYS . . . . . . . . . . . . . 8.7 mtpt -114.72 86.98 2.54 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.271 -0.422 . . . . 63.509999999999998 110.978 179.822 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 62' ' ' LEU . . . . . . . . . . . . . 11.5 mt . . . . . 0 C--N 1.329 -0.32 0 CA-C-N 116.239 -0.437 . . . . 60.109999999999999 110.884 179.948 . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' A' A ' 101' ' ' HLT . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 1.9 mtt . . . . . 0 C--O 1.232 0.173 0 CA-C-O 120.819 0.342 . . . . 71.209999999999994 110.875 . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -114.06 177.92 4.47 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.274 -0.421 . . . . 75.040000000000006 110.956 179.911 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 3' ' ' LYS . . . . . 0.517 ' HB3' HD22 ' A' ' 4' ' ' LEU . 15.9 mttm -153.04 -64.2 0.15 Allowed 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.285 -0.416 . . . . 70.439999999999998 110.877 179.85 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 4' ' ' LEU . . . . . 0.517 HD22 ' HB3' ' A' ' 3' ' ' LYS . 2.3 mm? -116.45 -21.16 9.36 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.224 -0.444 . . . . 74.319999999999993 110.977 179.895 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 7.7 mmt180 -69.63 -43.81 71.89 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.202 -0.454 . . . . 71.409999999999997 110.883 179.941 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 6' ' ' GLU . . . . . 0.726 ' HA ' HD22 ' A' ' 59' ' ' LEU . 0.0 OUTLIER -53.44 -28.59 30.95 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.255 -0.429 . . . . 75.120000000000005 110.887 -179.943 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 4.6 mt-10 -57.6 -28.65 63.83 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.128 -0.487 . . . . 74.200000000000003 110.901 -179.975 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -76.03 -28.26 57.65 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.148 -0.478 . . . . 71.129999999999995 111.087 179.956 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -61.94 -43.23 99.28 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.272 -0.422 . . . . 64.319999999999993 111.078 179.962 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 4.6 mttm -56.12 -31.29 63.18 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.255 -0.429 . . . . 71.230000000000004 110.922 179.927 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 51.8 mt -51.8 -46.25 64.17 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.272 -0.422 . . . . 64.239999999999995 110.972 179.865 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 21.4 m-85 -74.06 -25.16 59.69 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.202 -0.454 . . . . 73.450000000000003 110.869 179.979 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 25.4 tt0 -54.15 -32.88 56.56 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-N 116.101 -0.5 . . . . 61.310000000000002 110.907 -179.949 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 9.2 mt-10 -66.4 -32.56 74.02 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.216 -0.447 . . . . 51.130000000000003 110.898 -179.906 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 15' ' ' TRP . . . . . 0.569 ' CD1' ' HB1' ' A' ' 44' ' ' ALA . 3.5 t90 -67.97 -44.45 76.67 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.105 -0.498 . . . . 72.200000000000003 110.926 -179.967 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 16' ' ' LYS . . . . . 0.41 ' HB2' ' HB3' ' A' ' 48' ' ' ALA . 9.9 ttpt -77.14 -32.12 56.11 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.204 -0.453 . . . . 71.420000000000002 110.992 179.84 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -73.79 -52.36 13.39 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.175 -0.466 . . . . 73.129999999999995 110.95 179.8 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 61.3 mt -55.93 -28.18 55.71 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.163 -0.471 . . . . 73.510000000000005 110.892 179.936 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -72.24 -24.13 61.33 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.204 -0.453 . . . . 63.240000000000002 111.13 179.781 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 10.1 mt-10 -73.43 -49.51 26.61 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.208 -0.451 . . . . 65.230000000000004 110.893 -179.967 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 1.9 mm-40 -74.14 -51.53 15.3 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.199 -0.455 . . . . 74.0 110.92 -179.96 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -53.04 -29.83 32.17 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.187 -0.46 . . . . 41.109999999999999 111.092 179.912 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -71.67 -54.0 11.76 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.262 -0.426 . . . . 70.25 111.078 179.932 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 14.0 ptmt -64.86 -33.07 75.14 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 116.329 -0.396 . . . . 73.439999999999998 110.917 179.961 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 25' ' ' LEU . . . . . 0.409 HD23 ' HA ' ' A' ' 25' ' ' LEU . 4.2 mt -76.27 -41.81 47.68 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.198 -0.455 . . . . 63.329999999999998 110.903 179.885 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 4.0 mt -50.81 -48.16 59.8 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.243 -0.435 . . . . 70.010000000000005 110.951 179.888 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 37.2 mm-40 -95.35 12.49 28.99 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.159 -0.473 . . . . 63.539999999999999 110.821 179.956 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . -59.49 -14.4 27.62 Favored Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.748 -0.739 . . . . 52.229999999999997 112.558 179.99 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . 135.38 45.63 0.1 OUTLIER Glycine 0 N--CA 1.452 -0.276 0 C-N-CA 120.676 -0.773 . . . . 63.340000000000003 112.467 -179.876 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . -137.41 43.74 1.19 Allowed Glycine 0 N--CA 1.452 -0.298 0 C-N-CA 120.743 -0.741 . . . . 53.299999999999997 112.453 -179.869 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . 150.24 60.81 0.01 OUTLIER Glycine 0 N--CA 1.45 -0.371 0 C-N-CA 120.787 -0.72 . . . . 43.210000000000001 112.531 -179.94 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . 54.05 -101.79 0.1 Allowed Glycine 0 N--CA 1.453 -0.219 0 C-N-CA 120.675 -0.774 . . . . 73.219999999999999 112.494 -179.847 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . 179.11 -128.37 1.24 Allowed Glycine 0 N--CA 1.45 -0.367 0 C-N-CA 120.769 -0.729 . . . . 61.539999999999999 112.488 -179.855 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 86.98 123.44 1.66 Allowed Glycine 0 N--CA 1.452 -0.267 0 C-N-CA 120.72 -0.752 . . . . 62.0 112.507 -179.891 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . -70.99 -43.04 58.45 Favored Glycine 0 N--CA 1.452 -0.266 0 C-N-CA 120.697 -0.764 . . . . 71.150000000000006 112.443 -179.857 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 29.7 tt0 -52.09 -36.31 50.49 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 120.929 0.395 . . . . 63.310000000000002 110.924 -179.924 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 23.3 tp -62.85 -39.34 94.07 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.134 -0.485 . . . . 55.329999999999998 110.958 179.998 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 38' ' ' MET . . . . . . . . . . . . . 3.5 ttp -72.62 -25.29 61.25 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.139 -0.482 . . . . 74.230000000000004 110.931 179.806 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 7.2 ttmm -54.06 -29.21 43.31 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.161 -0.472 . . . . 72.340000000000003 110.872 180.0 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 40' ' ' LEU . . . . . 0.813 HD22 HD23 ' B' ' 51' ' ' LEU . 2.7 mt -61.64 -59.05 5.78 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.239 -0.437 . . . . 74.019999999999996 110.912 179.958 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 41' ' ' CYS . . . . . . . . . . . . . 18.2 p -69.08 -24.37 64.13 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.194 -0.457 . . . . 73.129999999999995 110.918 179.966 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 32.7 tt0 -55.75 -25.43 40.62 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 116.141 -0.481 . . . . 71.019999999999996 110.847 -179.833 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 2.7 mm-40 -54.64 -37.86 66.17 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.177 -0.465 . . . . 75.540000000000006 110.857 -179.907 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 44' ' ' ALA . . . . . 0.569 ' HB1' ' CD1' ' A' ' 15' ' ' TRP . . . -51.75 -41.92 61.95 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.206 -0.452 . . . . 51.240000000000002 111.079 179.958 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -75.26 -22.93 57.46 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.237 -0.438 . . . . 75.140000000000001 111.088 179.912 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -75.73 -48.92 19.88 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.233 -0.44 . . . . 71.519999999999996 110.934 179.955 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -54.95 -55.28 32.43 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.25 -0.432 . . . . 70.109999999999999 110.832 179.879 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 48' ' ' ALA . . . . . 0.655 ' HA ' HD12 ' A' ' 51' ' ' LEU . . . -51.94 -36.96 51.07 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.197 -0.456 . . . . 60.149999999999999 111.142 179.866 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 1.4 tt0 -63.79 -45.14 91.07 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.114 -0.494 . . . . 62.030000000000001 110.845 -179.875 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 6.2 mm-40 -74.03 -27.53 60.98 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.145 -0.48 . . . . 73.129999999999995 110.962 -179.968 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 51' ' ' LEU . . . . . 0.676 ' CD2' HD22 ' B' ' 40' ' ' LEU . 11.9 mt -73.1 -53.38 11.18 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.126 -0.488 . . . . 74.030000000000001 110.902 -179.967 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 52' ' ' PHE . . . . . . . . . . . . . 70.2 t80 -55.92 -32.45 63.79 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.223 -0.444 . . . . 45.140000000000001 110.848 179.957 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 1.9 mmmm -51.97 -59.36 4.43 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.134 -0.484 . . . . 62.219999999999999 110.914 -179.988 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 54' ' ' LEU . . . . . . . . . . . . . 4.5 mm? -75.67 -24.13 56.3 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.225 -0.443 . . . . 72.430000000000007 110.957 179.899 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 55' ' ' ALA . . . . . 0.441 ' C ' HD12 ' A' ' 59' ' ' LEU . . . -55.21 -37.67 67.43 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.104 -0.498 . . . . 64.329999999999998 111.071 179.796 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 56' ' ' GLU . . . . . 0.462 ' HB2' HD21 ' A' ' 62' ' ' LEU . 16.2 mt-10 -52.42 -29.42 24.27 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.219 -0.446 . . . . 54.340000000000003 110.863 -179.872 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 3.1 tm-20 -70.1 -47.83 60.18 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.146 -0.479 . . . . 75.329999999999998 110.974 -179.982 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -77.95 -13.61 59.82 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.168 -0.469 . . . . 74.129999999999995 110.858 -179.952 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 59' ' ' LEU . . . . . 0.726 HD22 ' HA ' ' A' ' 6' ' ' GLU . 10.7 mt -94.86 -61.46 1.49 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.203 -0.453 . . . . 70.230000000000004 110.902 -179.961 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 60' ' ' LYS . . . . . 0.519 ' HE3' HD23 ' A' ' 62' ' ' LEU . 0.0 OUTLIER -119.88 -175.94 3.08 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.176 -0.465 . . . . 63.130000000000003 110.886 179.806 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -109.81 89.76 3.11 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.187 -0.46 . . . . 54.119999999999997 110.9 179.893 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 62' ' ' LEU . . . . . 0.519 HD23 ' HE3' ' A' ' 60' ' ' LYS . 0.6 OUTLIER . . . . . 0 C--N 1.328 -0.353 0 CA-C-N 116.233 -0.44 . . . . 61.32 110.913 179.93 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 1' ' ' MET . . . . . . . . . . . . . 1.9 mtt . . . . . 0 C--O 1.232 0.182 0 CA-C-O 120.759 0.314 . . . . 72.019999999999996 110.834 . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' B' B ' 2' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -114.06 177.92 4.46 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 116.27 -0.423 . . . . 63.229999999999997 110.913 179.964 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 3' ' ' LYS . . . . . 0.517 ' HB3' HD22 ' B' ' 4' ' ' LEU . 15.9 mttm -152.97 -64.53 0.16 Allowed 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.229 -0.441 . . . . 75.010000000000005 110.939 179.932 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 4' ' ' LEU . . . . . 0.517 HD22 ' HB3' ' B' ' 3' ' ' LYS . 2.3 mm? -116.49 -21.31 9.26 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.199 -0.455 . . . . 71.230000000000004 110.967 179.891 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 5' ' ' ARG . . . . . . . . . . . . . 7.7 mmt180 -69.36 -43.64 73.17 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.151 -0.477 . . . . 65.230000000000004 110.904 179.959 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 6' ' ' GLU . . . . . 0.715 ' HA ' HD22 ' B' ' 59' ' ' LEU . 0.0 OUTLIER -53.62 -29.04 36.08 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.205 -0.452 . . . . 74.430000000000007 110.882 -179.941 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' B' B ' 7' ' ' GLU . . . . . . . . . . . . . 4.6 mt-10 -57.12 -28.65 62.89 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.156 -0.475 . . . . 72.140000000000001 110.878 -179.979 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 8' ' ' ALA . . . . . . . . . . . . . . . -75.98 -27.78 57.59 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.232 -0.44 . . . . 63.340000000000003 111.129 179.927 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 9' ' ' ALA . . . . . . . . . . . . . . . -63.06 -41.12 99.39 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.231 -0.441 . . . . 73.519999999999996 111.048 179.951 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 10' ' ' LYS . . . . . . . . . . . . . 4.6 mttm -56.3 -32.66 64.8 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.232 -0.44 . . . . 53.130000000000003 110.933 179.969 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 11' ' ' LEU . . . . . . . . . . . . . 48.0 mt -51.82 -45.39 63.92 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.206 -0.452 . . . . 74.200000000000003 110.974 179.907 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 12' ' ' PHE . . . . . . . . . . . . . 22.2 m-85 -74.09 -25.96 60.1 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.137 -0.483 . . . . 74.340000000000003 110.883 179.903 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 13' ' ' GLU . . . . . . . . . . . . . 25.3 tt0 -58.16 -42.77 86.71 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.138 -0.483 . . . . 65.510000000000005 110.932 -179.9 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 14' ' ' GLU . . . . . . . . . . . . . 6.9 mt-10 -75.01 -28.06 60.35 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.129 -0.487 . . . . 62.100000000000001 110.893 -179.974 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 15' ' ' TRP . . . . . . . . . . . . . 2.6 m0 -59.7 -47.52 85.32 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.17 -0.468 . . . . 74.129999999999995 110.971 -179.935 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 16' ' ' LYS . . . . . . . . . . . . . 9.7 ttpt -77.31 -27.04 52.76 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.261 -0.427 . . . . 71.109999999999999 110.865 179.884 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 17' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -67.02 -51.79 50.53 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.302 -0.408 . . . . 72.540000000000006 110.877 179.855 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 18' ' ' LEU . . . . . 0.435 HD12 'CL ' ' A' ' 101' ' ' HLT . 50.2 mt -56.53 -26.42 54.7 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.215 -0.448 . . . . 55.310000000000002 110.921 179.898 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 19' ' ' ALA . . . . . . . . . . . . . . . -72.72 -21.7 61.0 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.149 -0.478 . . . . 74.230000000000004 111.111 179.8 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 20' ' ' GLU . . . . . . . . . . . . . 11.7 mt-10 -73.14 -49.38 28.63 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.245 -0.434 . . . . 74.5 110.912 -179.913 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 21' ' ' GLU . . . . . . . . . . . . . 1.9 mm-40 -73.96 -51.46 15.94 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.106 -0.497 . . . . 71.239999999999995 110.851 -179.951 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 22' ' ' ALA . . . . . . . . . . . . . . . -53.27 -30.19 37.19 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.177 -0.465 . . . . 72.129999999999995 111.08 179.99 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 23' ' ' ALA . . . . . . . . . . . . . . . -71.32 -54.04 12.17 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.207 -0.452 . . . . 73.400000000000006 111.079 179.942 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 24' ' ' LYS . . . . . . . . . . . . . 14.0 ptmt -64.75 -33.19 75.39 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.234 -0.439 . . . . 72.219999999999999 110.842 179.998 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 25' ' ' LEU . . . . . . . . . . . . . 4.4 mt -76.39 -41.21 48.63 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.285 -0.416 . . . . 53.149999999999999 110.914 179.933 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 26' ' ' LEU . . . . . . . . . . . . . 3.8 mt -50.88 -48.63 60.31 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.214 -0.448 . . . . 71.400000000000006 110.899 179.915 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 27' ' ' GLU . . . . . . . . . . . . . 37.0 mm-40 -95.1 12.61 28.03 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.22 -0.446 . . . . 75.510000000000005 110.912 179.985 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 28' ' ' GLY . . . . . . . . . . . . . . . -59.65 -14.51 29.27 Favored Glycine 0 N--CA 1.451 -0.36 0 C-N-CA 120.734 -0.746 . . . . 71.239999999999995 112.525 -179.988 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 29' ' ' GLY . . . . . . . . . . . . . . . 136.48 46.33 0.08 OUTLIER Glycine 0 N--CA 1.451 -0.349 0 C-N-CA 120.803 -0.713 . . . . 44.109999999999999 112.515 -179.921 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 30' ' ' GLY . . . . . . . . . . . . . . . -136.51 44.3 1.16 Allowed Glycine 0 N--CA 1.451 -0.346 0 C-N-CA 120.728 -0.749 . . . . 51.340000000000003 112.531 -179.936 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 31' ' ' GLY . . . . . . . . . . . . . . . 151.57 63.16 0.01 OUTLIER Glycine 0 N--CA 1.452 -0.283 0 C-N-CA 120.732 -0.746 . . . . 72.430000000000007 112.487 -179.895 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 32' ' ' GLY . . . . . . . . . . . . . . . 57.1 -102.5 0.21 Allowed Glycine 0 N--CA 1.452 -0.283 0 C-N-CA 120.695 -0.764 . . . . 74.319999999999993 112.513 -179.905 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 33' ' ' GLY . . . . . . . . . . . . . . . 178.69 -128.96 1.32 Allowed Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.791 -0.719 . . . . 50.299999999999997 112.475 -179.924 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 34' ' ' GLY . . . . . . . . . . . . . . . 86.61 123.2 1.54 Allowed Glycine 0 N--CA 1.451 -0.346 0 C-N-CA 120.744 -0.741 . . . . 74.120000000000005 112.497 -179.866 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 35' ' ' GLY . . . . . . . . . . . . . . . -70.75 -43.1 60.34 Favored Glycine 0 N--CA 1.452 -0.276 0 C-N-CA 120.696 -0.764 . . . . 55.420000000000002 112.46 -179.899 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 36' ' ' GLU . . . . . . . . . . . . . 29.7 tt0 -52.25 -34.53 46.54 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.909 0.385 . . . . 63.219999999999999 110.904 -179.882 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 37' ' ' LEU . . . . . . . . . . . . . 23.0 tp -61.39 -39.3 90.18 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.109 -0.496 . . . . 75.209999999999994 110.925 -179.967 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 38' ' ' MET . . . . . . . . . . . . . 3.6 ttp -72.63 -26.92 61.85 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.182 -0.463 . . . . 75.230000000000004 110.832 179.861 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 39' ' ' LYS . . . . . . . . . . . . . 7.2 ttmm -56.17 -27.97 56.37 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.246 -0.433 . . . . 73.299999999999997 110.889 179.949 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 40' ' ' LEU . . . . . 0.676 HD22 ' CD2' ' A' ' 51' ' ' LEU . 2.2 mt -59.87 -58.88 6.67 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.275 -0.42 . . . . 62.329999999999998 110.915 179.937 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 41' ' ' CYS . . . . . . . . . . . . . 18.5 p -69.38 -23.74 63.78 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.216 -0.447 . . . . 71.310000000000002 110.892 179.947 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 42' ' ' GLU . . . . . . . . . . . . . 32.8 tt0 -54.96 -25.35 29.04 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.143 -0.48 . . . . 74.209999999999994 110.863 -179.863 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 43' ' ' GLU . . . . . . . . . . . . . 2.8 mm-40 -54.12 -34.78 61.17 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.142 -0.481 . . . . 72.129999999999995 110.922 -179.922 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 44' ' ' ALA . . . . . . . . . . . . . . . -51.66 -41.76 61.6 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.176 -0.466 . . . . 74.209999999999994 111.068 179.938 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 45' ' ' ALA . . . . . . . . . . . . . . . -75.23 -23.45 57.55 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.173 -0.467 . . . . 74.409999999999997 111.082 179.963 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 46' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -78.07 -50.14 12.62 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.316 -0.402 . . . . 75.510000000000005 110.847 179.946 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 47' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -55.55 -55.09 35.98 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.203 -0.453 . . . . 62.119999999999997 110.859 179.961 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 48' ' ' ALA . . . . . 0.704 ' HA ' HD12 ' B' ' 51' ' ' LEU . . . -51.9 -36.83 50.13 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.322 -0.399 . . . . 71.209999999999994 111.085 179.822 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 49' ' ' GLU . . . . . . . . . . . . . 1.4 tt0 -64.0 -45.02 90.84 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.232 -0.44 . . . . 73.409999999999997 110.85 -179.893 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 50' ' ' GLU . . . . . . . . . . . . . 6.2 mm-40 -74.13 -27.17 60.73 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.182 -0.463 . . . . 72.239999999999995 110.846 -179.934 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 51' ' ' LEU . . . . . 0.813 HD23 HD22 ' A' ' 40' ' ' LEU . 12.0 mt -72.68 -52.08 16.74 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.191 -0.459 . . . . 74.400000000000006 110.886 -179.936 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 52' ' ' PHE . . . . . . . . . . . . . 71.5 t80 -54.61 -33.7 60.87 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.157 -0.474 . . . . 73.319999999999993 110.88 179.959 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 53' ' ' LYS . . . . . . . . . . . . . 1.9 mmmm -52.52 -59.27 4.65 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.15 -0.477 . . . . 72.319999999999993 110.859 179.959 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 54' ' ' LEU . . . . . . . . . . . . . 4.5 mm? -75.29 -25.0 57.57 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.288 -0.415 . . . . 63.210000000000001 110.902 179.956 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 55' ' ' ALA . . . . . 0.449 ' C ' HD12 ' B' ' 59' ' ' LEU . . . -53.95 -38.0 64.49 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.218 -0.446 . . . . 74.230000000000004 111.158 179.769 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 56' ' ' GLU . . . . . 0.507 ' HB2' HD21 ' B' ' 62' ' ' LEU . 15.9 mt-10 -52.99 -29.51 29.62 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.175 -0.466 . . . . 73.040000000000006 110.908 -179.934 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 57' ' ' GLU . . . . . . . . . . . . . 3.1 tm-20 -70.37 -47.7 59.74 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.138 -0.483 . . . . 73.109999999999999 110.888 -179.909 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 58' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -77.88 -13.4 59.9 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.163 -0.471 . . . . 74.340000000000003 110.912 -179.965 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 59' ' ' LEU . . . . . 0.715 HD22 ' HA ' ' B' ' 6' ' ' GLU . 11.5 mt -95.11 -60.93 1.57 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.152 -0.476 . . . . 74.120000000000005 110.942 179.962 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 60' ' ' LYS . . . . . 0.507 ' HE3' HD23 ' B' ' 62' ' ' LEU . 0.0 OUTLIER -119.8 -175.64 3.01 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.155 -0.475 . . . . 74.150000000000006 110.889 179.823 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' B' B ' 61' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -109.52 89.66 3.07 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.243 -0.435 . . . . 55.030000000000001 110.908 179.869 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 62' ' ' LEU . . . . . 0.507 HD21 ' HB2' ' B' ' 56' ' ' GLU . 0.6 OUTLIER . . . . . 0 C--N 1.328 -0.327 0 CA-C-N 116.185 -0.461 . . . . 63.439999999999998 110.919 179.968 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 101' ' ' HLT . . . . . 0.435 'CL ' HD12 ' B' ' 18' ' ' LEU . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 C--O 1.231 0.112 0 CA-C-O 120.847 0.356 . . . . 72.239999999999995 110.861 . . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -155.07 -179.84 8.45 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.269 -0.423 . . . . 73.409999999999997 110.863 179.937 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -127.6 -48.62 1.4 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.188 -0.46 . . . . 74.25 110.921 179.813 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 4.4 mm? -52.27 -67.23 0.27 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.243 -0.435 . . . . 74.219999999999999 110.852 179.949 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 8.5 ptp180 -67.33 -36.43 81.43 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.184 -0.462 . . . . 70.239999999999995 110.908 -180.0 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 6' ' ' GLU . . . . . 0.428 ' CA ' HD13 ' A' ' 59' ' ' LEU . 1.2 tm-20 -54.28 -27.6 36.35 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.178 -0.465 . . . . 74.129999999999995 110.859 -179.941 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 2.1 mt-10 -56.49 -55.01 39.13 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.193 -0.458 . . . . 71.299999999999997 110.872 -179.942 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -52.96 -28.58 24.36 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.126 -0.488 . . . . 52.43 111.116 179.947 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 9' ' ' ALA . . . . . 0.43 ' CB ' ' HB1' ' A' ' 55' ' ' ALA . . . -73.94 -41.58 61.84 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.219 -0.446 . . . . 65.549999999999997 111.175 179.907 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -63.17 -34.18 77.08 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.197 -0.456 . . . . 64.549999999999997 110.864 179.982 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 63.4 mt -51.75 -43.97 63.13 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.228 -0.442 . . . . 75.230000000000004 110.973 179.884 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 12' ' ' PHE . . . . . 0.598 ' CE1' HD11 ' B' ' 26' ' ' LEU . 22.9 m-85 -74.16 -24.83 59.45 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.162 -0.472 . . . . 73.319999999999993 110.901 179.938 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 3.8 tt0 -56.37 -41.04 75.55 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.159 -0.473 . . . . 72.519999999999996 110.869 -179.934 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 8.5 mt-10 -65.04 -34.81 79.31 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.175 -0.466 . . . . 64.530000000000001 110.837 -179.955 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 15' ' ' TRP . . . . . 0.442 ' CG ' ' HB2' ' A' ' 48' ' ' ALA . 6.4 t90 -64.24 -46.35 84.18 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.226 -0.443 . . . . 75.549999999999997 110.909 -179.94 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 5.8 ptmm? -77.53 -26.97 51.52 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.26 -0.427 . . . . 63.039999999999999 110.913 179.885 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -75.05 -59.73 2.61 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.215 -0.448 . . . . 63.32 110.916 179.862 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 95.5 mt -54.85 -29.55 55.45 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.231 -0.44 . . . . 74.109999999999999 110.899 179.921 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -66.0 -27.86 68.44 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.148 -0.478 . . . . 75.439999999999998 111.117 179.795 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 2.2 mt-10 -73.42 -49.41 27.16 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.167 -0.469 . . . . 74.329999999999998 110.915 -179.936 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 1.8 mm-40 -72.74 -51.2 20.14 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.138 -0.483 . . . . 73.310000000000002 110.903 -179.956 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -54.09 -30.74 49.57 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.104 -0.498 . . . . 64.310000000000002 111.123 179.896 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -71.07 -54.44 11.12 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.219 -0.446 . . . . 52.450000000000003 111.021 179.953 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -63.54 -34.17 77.2 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.203 -0.453 . . . . 75.310000000000002 110.96 179.986 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 5.8 mt -76.64 -39.22 52.99 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.15 -0.477 . . . . 73.439999999999998 110.943 179.882 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 6.5 mt -50.61 -50.68 53.46 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.236 -0.438 . . . . 73.129999999999995 110.907 179.875 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 7.0 mm-40 -90.74 12.44 19.15 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.176 -0.466 . . . . 71.510000000000005 110.874 -179.991 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . -59.45 -14.52 27.87 Favored Glycine 0 N--CA 1.452 -0.292 0 C-N-CA 120.763 -0.732 . . . . 70.109999999999999 112.423 -179.941 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . 135.47 45.49 0.1 OUTLIER Glycine 0 N--CA 1.452 -0.279 0 C-N-CA 120.72 -0.753 . . . . 74.430000000000007 112.494 -179.844 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . -95.89 -75.66 1.28 Allowed Glycine 0 N--CA 1.452 -0.266 0 C-N-CA 120.769 -0.729 . . . . 64.109999999999999 112.446 -179.879 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . 176.61 126.35 0.96 Allowed Glycine 0 N--CA 1.452 -0.291 0 C-N-CA 120.745 -0.74 . . . . 54.229999999999997 112.436 -179.897 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . -168.66 -152.32 7.64 Favored Glycine 0 N--CA 1.452 -0.278 0 C-N-CA 120.69 -0.767 . . . . 44.240000000000002 112.475 -179.947 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . 179.67 -40.43 0.08 OUTLIER Glycine 0 N--CA 1.451 -0.331 0 C-N-CA 120.821 -0.704 . . . . 63.340000000000003 112.528 -179.872 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . -112.27 152.09 17.9 Favored Glycine 0 N--CA 1.451 -0.335 0 C-N-CA 120.772 -0.727 . . . . 75.400000000000006 112.465 -179.922 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . -63.54 -25.74 69.04 Favored Glycine 0 N--CA 1.451 -0.306 0 C-N-CA 120.694 -0.765 . . . . 54.439999999999998 112.492 -179.961 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 27.9 tt0 -52.71 -31.97 40.46 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.858 0.361 . . . . 72.439999999999998 110.936 -179.906 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 46.7 tp -53.44 -54.78 31.99 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.119 -0.491 . . . . 72.319999999999993 110.938 179.961 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 38' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -70.87 -36.34 72.75 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.196 -0.456 . . . . 53.009999999999998 110.89 179.835 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 30.9 tttt -54.12 -27.93 36.42 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.23 -0.441 . . . . 75.109999999999999 110.867 179.975 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 7.0 mt -69.99 -47.2 63.17 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.272 -0.422 . . . . 62.549999999999997 110.895 179.933 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 41' ' ' CYS . . . . . 0.506 ' HA ' HD11 ' B' ' 51' ' ' LEU . 34.9 t -74.86 -29.92 61.17 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.179 -0.464 . . . . 70.209999999999994 110.827 179.994 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 16.8 mm-40 -58.03 -25.83 61.65 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.202 -0.454 . . . . 73.349999999999994 110.946 -179.955 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 6.1 mm-40 -54.83 -37.37 66.07 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.21 -0.45 . . . . 72.430000000000007 110.839 -179.92 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 44' ' ' ALA . . . . . 0.426 ' HB2' ' CZ3' ' B' ' 15' ' ' TRP . . . -51.78 -41.88 61.99 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.168 -0.469 . . . . 74.400000000000006 111.114 179.952 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -75.16 -22.83 57.83 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.255 -0.429 . . . . 55.130000000000003 111.074 179.919 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -74.97 -49.33 20.34 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.219 -0.446 . . . . 73.400000000000006 110.834 -179.984 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 9.2 mmpt? -72.99 -49.41 29.21 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.229 -0.442 . . . . 72.409999999999997 110.889 179.932 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 48' ' ' ALA . . . . . 0.442 ' HB2' ' CG ' ' A' ' 15' ' ' TRP . . . -51.99 -29.63 21.52 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.238 -0.437 . . . . 72.340000000000003 111.11 179.821 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 16.4 tt0 -74.69 -48.1 27.86 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.235 -0.439 . . . . 73.140000000000001 110.866 -179.966 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -56.02 -43.91 78.2 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.205 -0.452 . . . . 75.099999999999994 110.832 -179.885 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 51' ' ' LEU . . . . . 0.589 HD22 ' CZ ' ' A' ' 12' ' ' PHE . 8.5 mt -73.14 -46.85 48.63 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.144 -0.48 . . . . 62.119999999999997 110.892 -179.975 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 52' ' ' PHE . . . . . . . . . . . . . 65.1 t80 -56.5 -24.96 49.75 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.24 -0.437 . . . . 74.200000000000003 110.878 179.98 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -68.05 -47.71 67.59 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.148 -0.478 . . . . 74.420000000000002 110.889 179.915 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 54' ' ' LEU . . . . . 0.627 HD23 HH12 ' A' ' 58' ' ' ARG . 1.1 tp -73.28 -24.09 60.38 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.29 -0.414 . . . . 71.209999999999994 110.958 179.919 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 55' ' ' ALA . . . . . 0.43 ' HB1' ' CB ' ' A' ' 9' ' ' ALA . . . -55.93 -24.81 40.07 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.17 -0.468 . . . . 63.539999999999999 111.123 179.761 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 56' ' ' GLU . . . . . 0.649 ' HB2' HD11 ' A' ' 62' ' ' LEU . 9.4 mt-10 -77.53 -26.31 50.93 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.211 -0.45 . . . . 71.010000000000005 110.831 -179.942 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 19.7 tp10 -65.43 -49.38 69.41 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.236 -0.438 . . . . 74.409999999999997 110.831 -179.918 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 58' ' ' ARG . . . . . 0.627 HH12 HD23 ' A' ' 54' ' ' LEU . 0.0 OUTLIER -78.62 -15.33 58.65 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.182 -0.463 . . . . 64.310000000000002 110.849 -179.876 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 59' ' ' LEU . . . . . 0.428 HD13 ' CA ' ' A' ' 6' ' ' GLU . 22.2 tp -92.6 -76.99 0.45 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.221 -0.445 . . . . 74.299999999999997 110.867 -179.922 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -102.49 -175.09 2.72 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.201 -0.454 . . . . 70.5 110.917 179.83 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 24.4 tttt -118.21 90.69 3.39 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.248 -0.433 . . . . 73.310000000000002 110.944 179.837 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 62' ' ' LEU . . . . . 0.649 HD11 ' HB2' ' A' ' 56' ' ' GLU . 2.8 mt . . . . . 0 C--N 1.329 -0.32 0 CA-C-N 116.259 -0.428 . . . . 73.0 110.896 179.967 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 1' ' ' MET . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 C--O 1.231 0.087 0 CA-C-O 120.815 0.34 . . . . 55.329999999999998 110.861 . . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 2' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -155.06 -179.94 8.54 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.242 -0.435 . . . . 73.510000000000005 110.956 179.938 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 3' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -127.68 -48.39 1.39 Allowed 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.245 -0.434 . . . . 75.329999999999998 110.929 179.872 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 4' ' ' LEU . . . . . . . . . . . . . 4.4 mm? -52.13 -67.38 0.26 Allowed 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.22 -0.446 . . . . 51.5 110.872 179.915 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 5' ' ' ARG . . . . . . . . . . . . . 8.6 ptp180 -67.32 -36.37 81.33 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.205 -0.452 . . . . 73.040000000000006 110.867 179.941 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 6' ' ' GLU . . . . . 0.44 ' CA ' HD13 ' B' ' 59' ' ' LEU . 1.2 tm-20 -53.97 -28.93 40.57 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.258 -0.428 . . . . 64.549999999999997 110.845 -179.899 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 7' ' ' GLU . . . . . . . . . . . . . 2.1 mt-10 -57.33 -56.37 22.71 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.182 -0.463 . . . . 62.25 110.842 -179.913 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 8' ' ' ALA . . . . . . . . . . . . . . . -54.05 -27.14 30.51 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.159 -0.473 . . . . 61.240000000000002 111.12 179.914 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 9' ' ' ALA . . . . . 0.527 ' CB ' ' HB1' ' B' ' 55' ' ' ALA . . . -73.55 -41.38 63.04 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.23 -0.441 . . . . 41.43 111.102 179.96 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 10' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -62.48 -33.53 75.04 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.228 -0.442 . . . . 51.420000000000002 110.879 179.985 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 11' ' ' LEU . . . . . . . . . . . . . 62.1 mt -51.89 -43.54 63.36 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.215 -0.448 . . . . 73.209999999999994 110.859 179.971 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 12' ' ' PHE . . . . . 0.61 ' CE1' HD13 ' B' ' 51' ' ' LEU . 24.7 m-85 -74.12 -26.76 60.52 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.252 -0.431 . . . . 74.530000000000001 110.855 179.951 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 13' ' ' GLU . . . . . . . . . . . . . 3.7 tt0 -62.96 -45.06 94.25 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.177 -0.465 . . . . 73.409999999999997 110.888 -179.905 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 14' ' ' GLU . . . . . . . . . . . . . 8.4 mt-10 -74.4 -32.5 62.71 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.117 -0.492 . . . . 62.32 110.912 -179.937 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 15' ' ' TRP . . . . . 0.426 ' CZ3' ' HB2' ' A' ' 44' ' ' ALA . 0.6 OUTLIER -60.83 -44.63 96.67 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.162 -0.472 . . . . 70.140000000000001 110.893 -179.961 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' B' B ' 16' ' ' LYS . . . . . . . . . . . . . 5.7 ptmm? -77.08 -24.64 51.85 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.227 -0.442 . . . . 75.319999999999993 110.892 179.929 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 17' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -74.81 -51.44 14.03 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.196 -0.456 . . . . 64.140000000000001 110.931 179.854 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 18' ' ' LEU . . . . . 0.461 HD12 'CL ' ' A' ' 101' ' ' HLT . 97.5 mt -54.96 -28.45 51.48 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.254 -0.43 . . . . 74.349999999999994 110.843 179.917 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 19' ' ' ALA . . . . . . . . . . . . . . . -64.2 -25.54 68.12 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.244 -0.435 . . . . 65.430000000000007 111.09 179.85 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 20' ' ' GLU . . . . . . . . . . . . . 2.1 mt-10 -73.13 -49.37 28.67 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.203 -0.453 . . . . 61.509999999999998 110.835 -179.89 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 21' ' ' GLU . . . . . . . . . . . . . 1.8 mm-40 -72.16 -51.2 22.39 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.167 -0.469 . . . . 64.400000000000006 110.889 -179.907 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 22' ' ' ALA . . . . . . . . . . . . . . . -54.44 -30.75 53.69 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.115 -0.493 . . . . 52.5 111.155 179.923 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 23' ' ' ALA . . . . . . . . . . . . . . . -71.16 -54.34 11.37 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.168 -0.469 . . . . 75.150000000000006 111.085 179.972 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 24' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -63.42 -34.24 77.31 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.222 -0.445 . . . . 72.439999999999998 110.974 179.902 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 25' ' ' LEU . . . . . 0.416 HD23 ' HA ' ' B' ' 25' ' ' LEU . 6.0 mt -76.68 -39.33 52.48 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.174 -0.466 . . . . 62.219999999999999 110.907 179.915 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 26' ' ' LEU . . . . . 0.598 HD11 ' CE1' ' A' ' 12' ' ' PHE . 6.5 mt -50.69 -50.17 55.58 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.14 -0.482 . . . . 75.219999999999999 110.974 179.917 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 27' ' ' GLU . . . . . . . . . . . . . 7.1 mm-40 -90.8 12.39 19.44 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.221 -0.445 . . . . 74.109999999999999 110.891 179.869 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 28' ' ' GLY . . . . . . . . . . . . . . . -59.25 -14.6 26.81 Favored Glycine 0 N--CA 1.451 -0.356 0 C-N-CA 120.76 -0.734 . . . . 62.25 112.528 179.945 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 29' ' ' GLY . . . . . . . . . . . . . . . 136.46 45.25 0.09 OUTLIER Glycine 0 N--CA 1.452 -0.291 0 C-N-CA 120.719 -0.753 . . . . 73.319999999999993 112.476 -179.931 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 30' ' ' GLY . . . . . . . . . . . . . . . -96.03 -73.15 1.16 Allowed Glycine 0 N--CA 1.451 -0.335 0 C-N-CA 120.764 -0.731 . . . . 72.230000000000004 112.503 -179.93 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 31' ' ' GLY . . . . . . . . . . . . . . . 178.45 124.75 0.88 Allowed Glycine 0 N--CA 1.45 -0.372 0 C-N-CA 120.751 -0.738 . . . . 42.009999999999998 112.495 -179.945 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 32' ' ' GLY . . . . . . . . . . . . . . . -169.74 -150.68 6.95 Favored Glycine 0 N--CA 1.451 -0.335 0 C-N-CA 120.741 -0.743 . . . . 63.210000000000001 112.494 -179.919 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 33' ' ' GLY . . . . . . . . . . . . . . . -179.23 -40.19 0.07 OUTLIER Glycine 0 N--CA 1.451 -0.355 0 C-N-CA 120.784 -0.722 . . . . 73.400000000000006 112.465 -179.865 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 34' ' ' GLY . . . . . . . . . . . . . . . -112.64 152.13 17.98 Favored Glycine 0 N--CA 1.45 -0.383 0 C-N-CA 120.728 -0.749 . . . . 32.439999999999998 112.528 -179.893 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 35' ' ' GLY . . . . . . . . . . . . . . . -63.25 -25.57 68.48 Favored Glycine 0 N--CA 1.451 -0.332 0 C-N-CA 120.714 -0.755 . . . . 41.329999999999998 112.538 -179.95 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 36' ' ' GLU . . . . . . . . . . . . . 27.7 tt0 -52.59 -30.45 31.16 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.879 0.371 . . . . 74.200000000000003 110.907 -179.917 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 37' ' ' LEU . . . . . . . . . . . . . 49.0 tp -51.94 -54.99 23.07 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.103 -0.499 . . . . 73.329999999999998 110.92 -179.973 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 38' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -71.12 -39.14 72.22 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.195 -0.457 . . . . 50.509999999999998 110.82 179.865 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 39' ' ' LYS . . . . . . . . . . . . . 31.1 tttt -56.32 -28.11 57.81 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.248 -0.433 . . . . 72.140000000000001 110.881 -179.984 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 40' ' ' LEU . . . . . . . . . . . . . 6.9 mt -70.98 -46.11 62.88 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.207 -0.451 . . . . 73.019999999999996 110.93 179.963 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 41' ' ' CYS . . . . . . . . . . . . . 29.2 t -74.58 -27.43 60.48 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.178 -0.464 . . . . 53.43 110.894 179.937 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 42' ' ' GLU . . . . . . . . . . . . . 16.7 mm-40 -54.28 -25.76 25.39 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.212 -0.449 . . . . 62.119999999999997 110.896 -179.875 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 43' ' ' GLU . . . . . . . . . . . . . 6.2 mm-40 -55.47 -33.62 63.81 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.167 -0.47 . . . . 45.100000000000001 110.897 -179.981 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 44' ' ' ALA . . . . . . . . . . . . . . . -51.2 -43.49 61.37 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.101 -0.5 . . . . 25.440000000000001 111.118 179.966 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 45' ' ' ALA . . . . . . . . . . . . . . . -75.33 -22.74 57.39 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.16 -0.473 . . . . 62.450000000000003 111.099 179.921 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 46' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -77.43 -50.34 12.9 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.236 -0.438 . . . . 73.299999999999997 110.978 179.882 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 47' ' ' LYS . . . . . . . . . . . . . 9.2 mmpt? -70.6 -54.05 13.53 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.207 -0.452 . . . . 40.420000000000002 110.913 179.823 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 48' ' ' ALA . . . . . . . . . . . . . . . -52.05 -29.55 21.73 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.222 -0.445 . . . . 75.319999999999993 111.096 179.849 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 49' ' ' GLU . . . . . . . . . . . . . 16.4 tt0 -77.08 -48.17 18.54 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.215 -0.448 . . . . 63.299999999999997 110.849 -179.932 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 50' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -53.96 -39.62 66.12 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.135 -0.484 . . . . 71.129999999999995 110.926 -179.921 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 51' ' ' LEU . . . . . 0.61 HD13 ' CE1' ' B' ' 12' ' ' PHE . 8.3 mt -72.27 -42.84 65.11 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.135 -0.484 . . . . 35.210000000000001 110.928 -179.993 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 52' ' ' PHE . . . . . . . . . . . . . 65.8 t80 -56.08 -25.24 44.57 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.214 -0.448 . . . . 73.540000000000006 110.932 179.886 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 53' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -67.9 -47.95 67.38 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.085 -0.507 . . . . 72.239999999999995 110.846 -179.995 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 54' ' ' LEU . . . . . 0.618 HD23 HH12 ' B' ' 58' ' ' ARG . 1.1 tp -72.63 -24.05 61.01 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.2 -0.455 . . . . 71.230000000000004 110.912 179.919 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 55' ' ' ALA . . . . . 0.527 ' HB1' ' CB ' ' B' ' 9' ' ' ALA . . . -55.99 -24.8 41.03 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.232 -0.44 . . . . 52.43 111.175 179.765 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 56' ' ' GLU . . . . . 0.624 ' HB2' HD11 ' B' ' 62' ' ' LEU . 9.6 mt-10 -77.57 -26.07 50.55 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.176 -0.466 . . . . 74.019999999999996 110.924 -179.956 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 57' ' ' GLU . . . . . . . . . . . . . 19.7 tp10 -65.35 -49.27 70.0 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.172 -0.467 . . . . 65.150000000000006 110.884 -179.951 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 58' ' ' ARG . . . . . 0.618 HH12 HD23 ' B' ' 54' ' ' LEU . 0.0 OUTLIER -78.72 -15.61 58.24 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.202 -0.453 . . . . 74.219999999999999 110.84 -179.919 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' B' B ' 59' ' ' LEU . . . . . 0.44 HD13 ' CA ' ' B' ' 6' ' ' GLU . 22.7 tp -92.06 -77.05 0.44 Allowed 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.187 -0.46 . . . . 62.399999999999999 110.937 179.986 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 60' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -102.42 -175.2 2.76 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.234 -0.439 . . . . 75.430000000000007 110.899 179.821 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 61' ' ' LYS . . . . . . . . . . . . . 24.4 tttt -118.43 90.65 3.38 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.242 -0.436 . . . . 64.340000000000003 110.906 179.887 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 62' ' ' LEU . . . . . 0.624 HD11 ' HB2' ' B' ' 56' ' ' GLU . 2.8 mt . . . . . 0 C--N 1.328 -0.345 0 CA-C-N 116.24 -0.436 . . . . 50.119999999999997 110.946 179.934 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 101' ' ' HLT . . . . . 0.461 'CL ' HD12 ' B' ' 18' ' ' LEU . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.231 0.093 0 CA-C-O 120.838 0.352 . . . . 51.350000000000001 110.842 . . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -86.44 164.32 17.06 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.266 -0.424 . . . . 64.239999999999995 110.889 179.951 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 11.5 tttt -139.19 -74.13 0.38 Allowed 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.236 -0.438 . . . . 72.530000000000001 110.873 179.837 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 4' ' ' LEU . . . . . 0.527 HD23 ' H ' ' A' ' 4' ' ' LEU . 2.1 pt? -125.36 -1.56 7.55 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.243 -0.435 . . . . 64.439999999999998 110.864 -179.997 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 16.5 mmt180 -64.9 -29.36 70.31 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.216 -0.447 . . . . 72.25 110.845 179.981 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 1.8 mt-10 -57.27 -28.13 62.71 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.171 -0.468 . . . . 70.430000000000007 110.883 -179.932 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 3.4 mm-40 -54.76 -35.51 63.84 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.22 -0.445 . . . . 63.219999999999999 110.943 -179.98 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -72.0 -27.0 62.45 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.11 -0.495 . . . . 74.209999999999994 111.07 179.972 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 9' ' ' ALA . . . . . 0.476 ' N ' HD22 ' A' ' 59' ' ' LEU . . . -60.67 -40.35 91.78 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.203 -0.453 . . . . 72.299999999999997 111.096 179.947 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 11.9 mtmt -58.56 -30.49 67.18 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.175 -0.466 . . . . 61.119999999999997 110.894 179.975 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 61.3 mt -51.92 -44.59 63.92 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.227 -0.442 . . . . 74.219999999999999 110.878 179.939 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 24.3 m-85 -73.94 -25.86 60.19 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.172 -0.467 . . . . 71.129999999999995 110.916 179.978 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 1.2 tt0 -58.44 -38.49 77.59 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.145 -0.48 . . . . 53.340000000000003 110.933 -179.969 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 22.7 mt-10 -74.0 -35.12 64.4 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.136 -0.483 . . . . 64.439999999999998 110.897 -179.935 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 15' ' ' TRP . . . . . . . . . . . . . 14.3 m0 -54.98 -53.16 59.22 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.15 -0.477 . . . . 74.409999999999997 110.87 -179.929 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -70.94 -26.03 63.01 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.201 -0.454 . . . . 71.430000000000007 110.896 -179.985 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -69.08 -60.02 2.64 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.194 -0.457 . . . . 62.119999999999997 110.939 179.844 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 18' ' ' LEU . . . . . 1.037 HD13 HD13 ' B' ' 18' ' ' LEU . 2.5 mt -56.53 -25.19 51.1 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.289 -0.414 . . . . 72.519999999999996 110.895 179.857 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 19' ' ' ALA . . . . . 0.413 ' HB2' 'CL ' ' A' ' 101' ' ' HLT . . . -73.34 -29.53 62.73 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.249 -0.432 . . . . 75.140000000000001 111.079 179.838 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 21.1 tt0 -73.14 -49.95 25.42 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.248 -0.433 . . . . 71.510000000000005 110.89 -179.862 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 9.6 pt-20 -56.79 -46.42 81.57 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.073 -0.512 . . . . 63.140000000000001 110.915 -179.958 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -64.2 -32.95 74.72 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.121 -0.49 . . . . 73.129999999999995 111.12 179.928 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -70.95 -49.71 42.59 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.16 -0.473 . . . . 64.239999999999995 111.124 179.938 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -64.45 -36.66 84.9 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.244 -0.435 . . . . 71.510000000000005 110.839 179.936 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 11.2 mt -76.65 -38.75 54.04 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.307 -0.406 . . . . 71.430000000000007 110.934 179.942 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 6.2 mt -50.22 -46.31 54.55 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.212 -0.449 . . . . 73.319999999999993 110.957 179.828 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 37.1 mt-10 -89.4 -11.6 42.72 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.161 -0.472 . . . . 52.43 110.93 179.913 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . 67.32 29.86 74.73 Favored Glycine 0 N--CA 1.452 -0.276 0 C-N-CA 120.706 -0.759 . . . . 61.140000000000001 112.495 -179.98 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . 85.85 19.96 56.77 Favored Glycine 0 N--CA 1.452 -0.29 0 C-N-CA 120.685 -0.769 . . . . 52.310000000000002 112.507 -179.885 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . 134.39 112.71 1.3 Allowed Glycine 0 N--CA 1.452 -0.285 0 C-N-CA 120.737 -0.744 . . . . 53.310000000000002 112.466 -179.872 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . 143.12 -157.12 26.79 Favored Glycine 0 N--CA 1.45 -0.386 0 C-N-CA 120.76 -0.733 . . . . 72.040000000000006 112.522 -179.934 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . 91.48 166.21 40.08 Favored Glycine 0 N--CA 1.452 -0.286 0 C-N-CA 120.766 -0.731 . . . . 65.530000000000001 112.44 -179.902 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -76.16 80.45 1.11 Allowed Glycine 0 N--CA 1.451 -0.35 0 C-N-CA 120.696 -0.764 . . . . 34.119999999999997 112.492 -179.91 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 74.7 173.12 30.39 Favored Glycine 0 N--CA 1.452 -0.235 0 C-N-CA 120.676 -0.773 . . . . 61.420000000000002 112.422 -179.943 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . -100.56 -22.53 11.21 Favored Glycine 0 N--CA 1.451 -0.326 0 C-N-CA 120.77 -0.728 . . . . 73.120000000000005 112.489 -179.932 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 2.9 tt0 -61.38 -41.88 97.81 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.907 0.384 . . . . 71.230000000000004 110.865 -179.905 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 52.6 tp -58.41 -48.95 78.99 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.087 -0.506 . . . . 74.310000000000002 110.896 -179.936 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 38' ' ' MET . . . . . . . . . . . . . 1.3 ttp -72.12 -28.19 63.11 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.168 -0.469 . . . . 74.230000000000004 110.891 179.859 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -54.89 -28.16 48.36 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.236 -0.438 . . . . 74.540000000000006 110.933 179.934 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 16.9 mt -72.07 -33.45 67.93 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.217 -0.447 . . . . 61.329999999999998 110.876 179.958 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 41' ' ' CYS . . . . . . . . . . . . . 33.4 m -72.0 -39.27 69.35 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 116.187 -0.46 . . . . 64.209999999999994 110.848 179.942 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 2.7 tt0 -61.33 -26.52 67.86 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.231 -0.441 . . . . 63.340000000000003 110.897 -179.854 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 3.6 mm-40 -55.44 -26.31 41.32 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.125 -0.489 . . . . 73.409999999999997 110.886 -179.998 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 44' ' ' ALA . . . . . 0.51 ' HB1' 'BR ' ' A' ' 101' ' ' HLT . . . -52.5 -43.68 65.21 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.188 -0.46 . . . . 62.32 111.139 179.966 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -75.07 -25.13 58.37 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.225 -0.443 . . . . 70.219999999999999 111.064 179.939 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -67.86 -46.06 72.81 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.202 -0.453 . . . . 62.530000000000001 110.935 179.967 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -55.49 -54.33 45.28 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.222 -0.445 . . . . 64.219999999999999 110.901 179.832 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -61.11 -31.45 71.15 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.213 -0.449 . . . . 53.450000000000003 111.132 179.808 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 9.6 mt-10 -74.09 -30.19 62.22 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.223 -0.444 . . . . 72.310000000000002 110.877 -179.946 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 18.1 tt0 -71.38 -50.8 28.51 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.1 -0.5 . . . . 62.049999999999997 110.914 -179.867 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 2.5 pp -69.64 -29.36 66.82 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.108 -0.496 . . . . 74.430000000000007 110.893 -179.986 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 52' ' ' PHE . . . . . . . . . . . . . 83.8 t80 -56.39 -26.56 53.49 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.15 -0.477 . . . . 75.040000000000006 110.922 179.922 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -57.41 -57.58 12.03 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.175 -0.466 . . . . 74.329999999999998 110.916 179.948 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 54' ' ' LEU . . . . . . . . . . . . . 9.5 mt -73.9 -43.8 57.28 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.212 -0.449 . . . . 73.409999999999997 110.924 179.9 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -57.56 -27.21 62.46 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.183 -0.462 . . . . 70.409999999999997 111.079 179.863 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 1.8 tt0 -62.69 -32.55 73.65 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.21 -0.45 . . . . 75.430000000000007 110.902 -179.917 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 30.4 tt0 -59.0 -54.23 49.5 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.162 -0.472 . . . . 54.149999999999999 110.834 -179.913 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -77.62 -29.03 51.62 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.154 -0.475 . . . . 70.540000000000006 110.85 -179.905 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 59' ' ' LEU . . . . . 0.476 HD22 ' N ' ' A' ' 9' ' ' ALA . 19.7 mt -67.11 -59.73 3.21 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.298 -0.41 . . . . 75.439999999999998 110.87 -179.943 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -122.95 -89.24 0.6 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.239 -0.437 . . . . 75.019999999999996 110.848 179.874 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 174.24 34.59 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.238 -0.437 . . . . 73.209999999999994 110.862 179.842 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 C--N 1.328 -0.347 0 CA-C-N 116.192 -0.458 . . . . 64.510000000000005 110.938 179.91 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 1' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.231 0.117 0 CA-C-O 120.777 0.322 . . . . 72.340000000000003 110.896 . . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 2' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -86.4 164.32 17.1 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.227 -0.442 . . . . 74.040000000000006 110.973 179.902 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 3' ' ' LYS . . . . . . . . . . . . . 11.5 tttt -139.12 -74.21 0.38 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.258 -0.428 . . . . 71.209999999999994 110.901 179.896 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 4' ' ' LEU . . . . . 0.517 HD23 ' H ' ' B' ' 4' ' ' LEU . 2.1 pt? -125.32 -1.61 7.58 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.155 -0.475 . . . . 75.409999999999997 110.894 179.933 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 5' ' ' ARG . . . . . . . . . . . . . 16.5 mmt180 -64.9 -29.37 70.31 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.213 -0.449 . . . . 51.439999999999998 110.87 179.995 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 6' ' ' GLU . . . . . . . . . . . . . 1.8 mt-10 -57.37 -28.23 63.0 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.206 -0.452 . . . . 74.450000000000003 110.875 -179.919 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 7' ' ' GLU . . . . . . . . . . . . . 3.4 mm-40 -54.77 -35.49 63.85 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.112 -0.494 . . . . 73.010000000000005 110.925 -179.933 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 8' ' ' ALA . . . . . 0.41 ' HB3' ' CD2' ' B' ' 59' ' ' LEU . . . -72.1 -27.08 62.41 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.121 -0.49 . . . . 64.019999999999996 111.079 179.929 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 9' ' ' ALA . . . . . 0.477 ' N ' HD22 ' B' ' 59' ' ' LEU . . . -60.67 -40.31 91.6 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.251 -0.431 . . . . 74.299999999999997 111.125 179.924 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 10' ' ' LYS . . . . . . . . . . . . . 11.9 mtmt -58.54 -30.5 67.16 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.276 -0.42 . . . . 71.349999999999994 110.91 179.925 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 11' ' ' LEU . . . . . . . . . . . . . 60.9 mt -52.03 -44.49 64.21 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.246 -0.434 . . . . 63.25 110.889 179.982 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 12' ' ' PHE . . . . . . . . . . . . . 24.3 m-85 -73.96 -25.9 60.19 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.187 -0.461 . . . . 72.010000000000005 110.889 179.927 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 13' ' ' GLU . . . . . . . . . . . . . 1.3 tt0 -58.59 -38.33 77.7 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.111 -0.495 . . . . 73.329999999999998 110.798 -179.845 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 14' ' ' GLU . . . . . . . . . . . . . 22.8 mt-10 -74.11 -34.89 64.09 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.209 -0.45 . . . . 74.530000000000001 110.875 -179.9 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 15' ' ' TRP . . . . . . . . . . . . . 14.1 m0 -55.05 -53.12 59.86 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 116.126 -0.488 . . . . 75.049999999999997 110.95 -179.935 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 16' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -70.96 -26.14 63.04 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.201 -0.454 . . . . 73.109999999999999 110.882 179.888 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 17' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -68.99 -59.99 2.67 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.233 -0.44 . . . . 72.140000000000001 110.948 179.854 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 18' ' ' LEU . . . . . 1.037 HD13 HD13 ' A' ' 18' ' ' LEU . 2.5 mt -56.75 -25.13 54.21 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.145 -0.479 . . . . 63.32 110.889 179.905 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 19' ' ' ALA . . . . . . . . . . . . . . . -73.37 -29.6 62.74 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.217 -0.447 . . . . 73.319999999999993 111.073 179.79 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 20' ' ' GLU . . . . . . . . . . . . . 21.1 tt0 -73.07 -49.9 25.94 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.206 -0.452 . . . . 75.310000000000002 110.965 -179.87 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 21' ' ' GLU . . . . . . . . . . . . . 9.7 pt-20 -56.82 -46.5 81.62 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.127 -0.488 . . . . 75.019999999999996 110.897 179.989 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 22' ' ' ALA . . . . . . . . . . . . . . . -64.13 -32.97 74.74 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.16 -0.473 . . . . 74.209999999999994 111.137 179.918 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 23' ' ' ALA . . . . . . . . . . . . . . . -70.86 -49.77 42.47 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.193 -0.458 . . . . 70.310000000000002 111.096 179.94 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 24' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -64.49 -36.62 84.79 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.195 -0.457 . . . . 73.430000000000007 110.897 179.987 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 25' ' ' LEU . . . . . 0.421 HD23 ' HA ' ' B' ' 25' ' ' LEU . 11.2 mt -76.66 -38.75 54.01 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.179 -0.464 . . . . 70.299999999999997 110.871 179.947 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 26' ' ' LEU . . . . . . . . . . . . . 6.1 mt -50.38 -46.18 55.87 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.25 -0.432 . . . . 71.540000000000006 110.954 179.94 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 27' ' ' GLU . . . . . . . . . . . . . 37.3 mt-10 -89.39 -11.7 42.46 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 116.204 -0.453 . . . . 75.239999999999995 110.885 179.882 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 28' ' ' GLY . . . . . . . . . . . . . . . 67.31 29.93 74.83 Favored Glycine 0 N--CA 1.452 -0.268 0 C-N-CA 120.764 -0.731 . . . . 74.420000000000002 112.507 -179.924 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 29' ' ' GLY . . . . . . . . . . . . . . . 85.78 20.07 56.69 Favored Glycine 0 N--CA 1.451 -0.339 0 C-N-CA 120.749 -0.738 . . . . 32.5 112.541 -179.93 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 30' ' ' GLY . . . . . . . . . . . . . . . 134.37 112.64 1.29 Allowed Glycine 0 N--CA 1.45 -0.374 0 C-N-CA 120.779 -0.724 . . . . 73.409999999999997 112.461 -179.903 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 31' ' ' GLY . . . . . . . . . . . . . . . 143.22 -157.05 26.8 Favored Glycine 0 N--CA 1.451 -0.348 0 C-N-CA 120.679 -0.772 . . . . 70.319999999999993 112.427 -179.976 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 32' ' ' GLY . . . . . . . . . . . . . . . 91.39 166.18 40.17 Favored Glycine 0 N--CA 1.452 -0.271 0 C-N-CA 120.71 -0.757 . . . . 54.350000000000001 112.466 -179.924 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 33' ' ' GLY . . . . . . . . . . . . . . . -76.14 80.57 1.1 Allowed Glycine 0 N--CA 1.452 -0.295 0 C-N-CA 120.697 -0.763 . . . . 52.109999999999999 112.447 -179.87 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 34' ' ' GLY . . . . . . . . . . . . . . . 74.59 173.14 30.02 Favored Glycine 0 N--CA 1.45 -0.376 0 C-N-CA 120.755 -0.736 . . . . 54.0 112.444 -179.988 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 35' ' ' GLY . . . . . . . . . . . . . . . -100.58 -22.54 11.16 Favored Glycine 0 N--CA 1.452 -0.245 0 C-N-CA 120.719 -0.753 . . . . 54.439999999999998 112.462 -179.88 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 36' ' ' GLU . . . . . . . . . . . . . 2.9 tt0 -61.44 -41.73 97.65 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.85 0.357 . . . . 64.129999999999995 110.966 -179.941 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 37' ' ' LEU . . . . . . . . . . . . . 52.5 tp -58.41 -48.88 79.23 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.145 -0.48 . . . . 62.450000000000003 110.957 179.943 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 38' ' ' MET . . . . . . . . . . . . . 1.3 ttp -72.18 -28.2 63.06 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.108 -0.496 . . . . 72.430000000000007 110.912 179.854 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 39' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -54.96 -28.22 49.73 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.238 -0.437 . . . . 74.400000000000006 110.915 179.937 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 40' ' ' LEU . . . . . . . . . . . . . 16.9 mt -72.01 -33.45 68.07 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.243 -0.435 . . . . 70.200000000000003 110.942 179.874 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 41' ' ' CYS . . . . . . . . . . . . . 33.4 m -71.87 -39.35 69.71 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.181 -0.463 . . . . 53.109999999999999 110.883 179.902 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 42' ' ' GLU . . . . . . . . . . . . . 2.7 tt0 -61.27 -26.55 67.84 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.214 -0.448 . . . . 74.400000000000006 110.87 -179.84 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 43' ' ' GLU . . . . . . . . . . . . . 3.6 mm-40 -55.51 -26.21 41.59 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.232 -0.44 . . . . 74.5 110.901 -179.974 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 44' ' ' ALA . . . . . . . . . . . . . . . -52.53 -43.75 65.34 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.173 -0.467 . . . . 72.109999999999999 111.053 179.969 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 45' ' ' ALA . . . . . . . . . . . . . . . -75.0 -25.12 58.59 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.206 -0.452 . . . . 72.439999999999998 111.02 179.988 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 46' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -68.03 -46.14 72.02 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.237 -0.438 . . . . 72.349999999999994 110.899 -179.931 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 47' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -55.59 -54.22 46.76 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.152 -0.476 . . . . 75.510000000000005 110.907 179.899 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 48' ' ' ALA . . . . . . . . . . . . . . . -61.07 -31.6 71.26 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.21 -0.45 . . . . 74.430000000000007 111.133 179.763 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 49' ' ' GLU . . . . . . . . . . . . . 9.7 mt-10 -74.06 -30.17 62.26 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.189 -0.459 . . . . 73.109999999999999 110.89 -179.923 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 50' ' ' GLU . . . . . . . . . . . . . 18.0 tt0 -71.33 -50.87 28.04 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.147 -0.478 . . . . 70.450000000000003 110.859 -179.929 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 51' ' ' LEU . . . . . . . . . . . . . 2.5 pp -69.7 -29.32 66.7 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.197 -0.456 . . . . 74.319999999999993 110.887 -179.901 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 52' ' ' PHE . . . . . . . . . . . . . 83.8 t80 -56.47 -26.59 54.52 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.227 -0.442 . . . . 74.209999999999994 110.844 179.947 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 53' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -57.37 -57.65 11.71 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.106 -0.497 . . . . 62.200000000000003 110.9 179.961 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 54' ' ' LEU . . . . . . . . . . . . . 9.5 mt -73.71 -43.91 57.92 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.202 -0.454 . . . . 64.420000000000002 110.928 179.884 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 55' ' ' ALA . . . . . . . . . . . . . . . -57.51 -27.3 62.43 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.205 -0.452 . . . . 73.120000000000005 111.116 179.831 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 56' ' ' GLU . . . . . . . . . . . . . 1.7 tt0 -62.59 -32.67 73.7 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.2 -0.454 . . . . 75.150000000000006 110.916 -179.967 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 57' ' ' GLU . . . . . . . . . . . . . 30.3 tt0 -58.97 -54.13 50.55 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.086 -0.506 . . . . 72.219999999999999 110.957 -179.941 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 58' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -77.68 -28.99 51.26 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.105 -0.498 . . . . 64.239999999999995 110.842 -179.918 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 59' ' ' LEU . . . . . 0.477 HD22 ' N ' ' B' ' 9' ' ' ALA . 19.7 mt -67.19 -59.74 3.19 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.174 -0.466 . . . . 65.349999999999994 110.892 -179.885 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 60' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -122.91 -89.21 0.6 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.146 -0.479 . . . . 70.329999999999998 110.869 179.818 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 61' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 174.23 34.46 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.209 -0.45 . . . . 73.200000000000003 110.874 179.875 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 62' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 C--N 1.328 -0.347 0 CA-C-N 116.232 -0.44 . . . . 72.120000000000005 110.908 179.894 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 101' ' ' HLT . . . . . 0.51 'BR ' ' HB1' ' A' ' 44' ' ' ALA . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 C--O 1.232 0.149 0 CA-C-O 120.874 0.369 . . . . 72.120000000000005 110.865 . . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -96.99 -170.13 1.99 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.234 -0.439 . . . . 72.5 110.889 179.949 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 3' ' ' LYS . . . . . 0.612 ' O ' HD22 ' A' ' 4' ' ' LEU . 12.3 mttt -150.5 25.14 0.78 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.185 -0.461 . . . . 75.219999999999999 110.907 179.864 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 4' ' ' LEU . . . . . 0.612 HD22 ' O ' ' A' ' 3' ' ' LYS . 0.3 OUTLIER -146.26 -66.52 0.29 Allowed 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.172 -0.467 . . . . 64.510000000000005 110.911 179.936 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 15.9 mtt180 -71.96 -35.7 69.62 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.168 -0.469 . . . . 65.310000000000002 110.893 179.953 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -53.91 -26.62 26.1 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.2 -0.455 . . . . 73.099999999999994 110.865 -179.907 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 1.4 mm-40 -53.48 -38.0 63.24 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.176 -0.465 . . . . 75.25 110.794 -179.93 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -65.61 -26.79 67.99 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.209 -0.45 . . . . 74.209999999999994 111.209 179.869 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 9' ' ' ALA . . . . . 0.883 ' HB2' HD23 ' A' ' 59' ' ' LEU . . . -63.07 -43.95 97.16 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.153 -0.476 . . . . 70.310000000000002 111.105 179.887 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 9.2 mtpt -66.03 -32.82 74.51 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.244 -0.435 . . . . 71.400000000000006 110.947 179.961 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 61.7 mt -52.17 -45.12 64.97 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.202 -0.454 . . . . 63.210000000000001 110.869 179.908 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 23.4 m-85 -72.93 -23.81 60.73 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.203 -0.453 . . . . 54.439999999999998 110.88 179.953 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -57.95 -33.97 69.41 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.151 -0.477 . . . . 52.43 110.889 -179.946 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 7.0 mt-10 -75.22 -35.14 61.49 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.187 -0.461 . . . . 64.140000000000001 110.873 -179.908 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 15' ' ' TRP . . . . . 0.511 ' HZ2' ' HB3' ' B' ' 22' ' ' ALA . 28.7 m0 -53.97 -52.73 59.75 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.188 -0.46 . . . . 71.349999999999994 110.896 -179.935 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 6.6 tttt -67.87 -24.7 65.27 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.259 -0.428 . . . . 74.439999999999998 110.95 179.872 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -72.77 -52.52 14.71 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.204 -0.453 . . . . 74.140000000000001 110.888 179.829 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 18' ' ' LEU . . . . . 1.029 HD13 HD13 ' B' ' 18' ' ' LEU . 2.0 mt -55.73 -25.01 38.32 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.275 -0.421 . . . . 73.140000000000001 111.004 179.87 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -73.15 -28.83 62.46 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.123 -0.49 . . . . 70.099999999999994 111.115 179.772 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 1.9 mm-40 -73.03 -49.47 28.57 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.209 -0.451 . . . . 75.150000000000006 110.878 -179.884 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 6.7 pt-20 -58.44 -36.51 73.76 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.103 -0.499 . . . . 71.530000000000001 110.874 -179.909 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 22' ' ' ALA . . . . . 0.451 ' HB3' ' HZ2' ' B' ' 15' ' ' TRP . . . -75.46 -33.1 60.82 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.111 -0.495 . . . . 62.520000000000003 111.07 179.949 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -70.73 -51.99 23.75 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.262 -0.426 . . . . 73.450000000000003 111.088 179.904 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -61.08 -37.44 82.7 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.241 -0.436 . . . . 74.239999999999995 110.904 -179.99 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 25' ' ' LEU . . . . . 0.406 HD23 ' HA ' ' A' ' 25' ' ' LEU . 14.5 mt -76.82 -38.5 53.73 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 116.252 -0.431 . . . . 74.299999999999997 110.886 179.885 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 5.2 mt -50.09 -43.4 51.5 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.183 -0.462 . . . . 75.310000000000002 110.924 179.896 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 2.2 mt-10 -93.19 -12.17 30.95 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.171 -0.468 . . . . 63.5 110.893 179.937 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . 60.92 17.51 51.29 Favored Glycine 0 N--CA 1.452 -0.296 0 C-N-CA 120.708 -0.758 . . . . 71.040000000000006 112.472 179.987 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . 87.93 20.6 49.59 Favored Glycine 0 N--CA 1.45 -0.379 0 C-N-CA 120.778 -0.725 . . . . 54.329999999999998 112.508 -179.938 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . 139.1 80.45 0.07 OUTLIER Glycine 0 N--CA 1.451 -0.331 0 C-N-CA 120.679 -0.772 . . . . 72.129999999999995 112.47 -179.894 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . -159.96 156.79 28.03 Favored Glycine 0 N--CA 1.452 -0.291 0 C-N-CA 120.74 -0.743 . . . . 74.120000000000005 112.408 -179.902 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . 57.34 -118.37 12.3 Favored Glycine 0 C--N 1.331 0.264 0 C-N-CA 120.72 -0.752 . . . . 74.510000000000005 112.494 -179.92 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -158.41 -81.55 0.04 OUTLIER Glycine 0 N--CA 1.451 -0.306 0 C-N-CA 120.678 -0.772 . . . . 41.520000000000003 112.431 -179.899 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 121.67 -93.21 0.51 Allowed Glycine 0 N--CA 1.451 -0.316 0 C-N-CA 120.761 -0.733 . . . . 52.439999999999998 112.463 -179.916 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 54.99 -104.71 0.29 Allowed Glycine 0 N--CA 1.452 -0.275 0 C-N-CA 120.729 -0.748 . . . . 43.200000000000003 112.504 -179.899 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 67.5 tt0 -76.38 -26.19 55.35 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.869 0.366 . . . . 72.25 110.88 -179.872 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 18.0 tp -57.59 -58.03 10.11 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.165 -0.47 . . . . 75.010000000000005 110.92 179.982 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 38' ' ' MET . . . . . . . . . . . . . 35.1 ttm -63.72 -33.55 75.91 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.163 -0.472 . . . . 73.310000000000002 110.902 179.841 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 2.1 tttp -53.85 -35.06 61.08 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.204 -0.453 . . . . 70.420000000000002 110.873 179.943 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 61.7 mt -74.09 -36.21 64.26 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.179 -0.464 . . . . 63.109999999999999 110.908 179.922 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 41' ' ' CYS . . . . . . . . . . . . . 22.2 m -75.18 -28.25 59.97 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.204 -0.453 . . . . 62.039999999999999 110.912 179.923 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 2.6 mt-10 -61.61 -26.88 68.26 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.222 -0.445 . . . . 62.409999999999997 110.883 -179.893 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 3.0 mm-40 -55.66 -36.86 67.54 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.16 -0.473 . . . . 71.510000000000005 110.923 -179.936 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -51.87 -41.84 62.2 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.117 -0.492 . . . . 71.239999999999995 111.047 179.896 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -75.18 -22.76 57.82 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.241 -0.436 . . . . 74.420000000000002 111.092 179.984 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -74.3 -48.84 25.82 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.26 -0.427 . . . . 62.020000000000003 110.851 -179.993 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 1.3 mptp? -61.61 -53.7 52.82 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.201 -0.454 . . . . 74.439999999999998 110.897 179.87 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 48' ' ' ALA . . . . . 0.61 ' HA ' HD12 ' A' ' 51' ' ' LEU . . . -57.89 -35.58 71.2 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.28 -0.418 . . . . 64.400000000000006 111.089 179.845 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 2.6 tm-20 -71.5 -41.63 69.03 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.191 -0.459 . . . . 72.140000000000001 110.852 -179.902 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 34.8 tt0 -71.34 -27.65 63.52 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.229 -0.441 . . . . 72.430000000000007 110.856 -179.927 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 51' ' ' LEU . . . . . 0.61 HD12 ' HA ' ' A' ' 48' ' ' ALA . 9.9 mt -72.95 -48.79 33.77 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.177 -0.465 . . . . 63.420000000000002 110.926 -179.982 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 52' ' ' PHE . . . . . 0.456 ' HE2' ' HB1' ' A' ' 9' ' ' ALA . 46.5 t80 -62.31 -23.89 67.0 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.265 -0.425 . . . . 64.439999999999998 110.878 179.974 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -72.83 -58.71 3.14 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.143 -0.48 . . . . 64.219999999999999 110.926 179.881 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 54' ' ' LEU . . . . . . . . . . . . . 19.3 tp -67.47 -38.15 83.98 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.212 -0.449 . . . . 75.109999999999999 110.947 179.936 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -67.32 -33.84 76.1 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.171 -0.468 . . . . 55.229999999999997 111.124 179.799 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 33.5 tt0 -52.75 -29.12 25.4 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.245 -0.434 . . . . 72.310000000000002 110.927 -179.953 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 10.9 tt0 -61.94 -52.93 62.07 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.116 -0.493 . . . . 65.219999999999999 110.924 -179.979 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 58' ' ' ARG . . . . . 0.515 HH21 HD22 ' B' ' 37' ' ' LEU . 0.0 OUTLIER -77.78 -28.89 50.63 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.146 -0.479 . . . . 74.450000000000003 110.81 -179.895 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 59' ' ' LEU . . . . . 0.883 HD23 ' HB2' ' A' ' 9' ' ' ALA . 1.9 mp -70.64 -62.1 1.52 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.246 -0.434 . . . . 74.549999999999997 110.91 -179.901 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -122.77 -74.92 0.6 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.15 -0.477 . . . . 62.140000000000001 110.896 179.82 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -179.28 122.89 0.08 Allowed 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.194 -0.457 . . . . 75.519999999999996 110.964 179.878 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER . . . . . 0 C--N 1.328 -0.347 0 CA-C-N 116.264 -0.426 . . . . 71.310000000000002 110.934 179.941 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 1' ' ' MET . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 C--O 1.231 0.114 0 CA-C-O 120.815 0.34 . . . . 61.25 110.862 . . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 2' ' ' LYS . . . . . 0.532 ' HB2' HD11 ' B' ' 59' ' ' LEU . 0.3 OUTLIER -96.86 -169.97 1.97 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.169 -0.469 . . . . 71.150000000000006 110.934 179.898 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' B' B ' 3' ' ' LYS . . . . . 0.604 ' O ' HD22 ' B' ' 4' ' ' LEU . 12.2 mttt -150.92 24.66 0.75 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.262 -0.426 . . . . 75.140000000000001 110.853 179.893 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 4' ' ' LEU . . . . . 0.604 HD22 ' O ' ' B' ' 3' ' ' LYS . 0.3 OUTLIER -146.2 -66.34 0.29 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.245 -0.434 . . . . 63.140000000000001 110.927 179.858 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' B' B ' 5' ' ' ARG . . . . . . . . . . . . . 16.4 mtt180 -72.01 -40.68 68.33 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.185 -0.461 . . . . 74.450000000000003 110.895 179.908 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 6' ' ' GLU . . . . . 0.546 ' CA ' HD13 ' B' ' 59' ' ' LEU . 0.1 OUTLIER -54.48 -26.79 33.42 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.193 -0.458 . . . . 72.340000000000003 110.911 -179.969 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' B' B ' 7' ' ' GLU . . . . . . . . . . . . . 1.4 mm-40 -53.27 -39.62 64.04 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.083 -0.508 . . . . 72.129999999999995 110.902 -179.906 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 8' ' ' ALA . . . . . . . . . . . . . . . -63.68 -26.68 68.77 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.177 -0.465 . . . . 51.329999999999998 111.106 179.92 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 9' ' ' ALA . . . . . 0.507 ' HB2' ' HB1' ' B' ' 55' ' ' ALA . . . -69.26 -42.02 76.15 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.274 -0.421 . . . . 34.229999999999997 111.157 179.91 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 10' ' ' LYS . . . . . . . . . . . . . 9.8 mtpt -66.74 -28.01 68.07 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.166 -0.47 . . . . 71.450000000000003 110.889 179.937 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 11' ' ' LEU . . . . . . . . . . . . . 62.1 mt -51.81 -46.24 64.21 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.21 -0.45 . . . . 71.140000000000001 110.963 179.899 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 12' ' ' PHE . . . . . . . . . . . . . 24.0 m-85 -74.1 -26.51 60.4 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.119 -0.491 . . . . 65.519999999999996 110.884 179.963 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 13' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -59.08 -34.76 72.35 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.107 -0.497 . . . . 64.420000000000002 110.87 -179.943 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 14' ' ' GLU . . . . . . . . . . . . . 7.1 mt-10 -74.98 -34.38 61.98 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.177 -0.465 . . . . 71.019999999999996 110.914 -179.905 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 15' ' ' TRP . . . . . 0.451 ' HZ2' ' HB3' ' A' ' 22' ' ' ALA . 20.4 m0 -57.05 -52.22 66.16 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.089 -0.505 . . . . 73.319999999999993 110.935 -179.971 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 16' ' ' LYS . . . . . 0.613 ' HE2' ' HB1' ' B' ' 45' ' ' ALA . 6.7 tttt -68.26 -25.05 64.98 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.271 -0.422 . . . . 71.209999999999994 110.856 179.931 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 17' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -73.06 -55.62 6.25 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.244 -0.434 . . . . 64.200000000000003 110.917 179.791 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 18' ' ' LEU . . . . . 1.029 HD13 HD13 ' A' ' 18' ' ' LEU . 2.0 mt -55.99 -25.59 44.75 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.236 -0.438 . . . . 65.219999999999999 110.942 179.968 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 19' ' ' ALA . . . . . 0.659 ' HB2' 'CL ' ' A' ' 101' ' ' HLT . . . -73.19 -29.14 62.61 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.127 -0.488 . . . . 70.030000000000001 111.119 179.737 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 20' ' ' GLU . . . . . . . . . . . . . 1.9 mm-40 -72.99 -49.37 29.41 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.221 -0.445 . . . . 65.219999999999999 110.952 -179.958 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 21' ' ' GLU . . . . . . . . . . . . . 6.7 pt-20 -58.43 -36.6 73.86 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.2 -0.455 . . . . 74.400000000000006 110.88 -179.981 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 22' ' ' ALA . . . . . 0.511 ' HB3' ' HZ2' ' A' ' 15' ' ' TRP . . . -75.5 -33.28 60.75 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.124 -0.489 . . . . 62.539999999999999 111.09 179.937 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 23' ' ' ALA . . . . . . . . . . . . . . . -70.8 -51.95 23.63 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.213 -0.448 . . . . 65.140000000000001 111.057 179.982 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 24' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -60.89 -37.69 83.05 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.274 -0.421 . . . . 74.450000000000003 110.894 179.994 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 25' ' ' LEU . . . . . 0.421 ' HA ' HD23 ' B' ' 25' ' ' LEU . 14.7 mt -76.78 -38.55 53.84 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.223 -0.444 . . . . 61.030000000000001 110.938 179.92 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 26' ' ' LEU . . . . . . . . . . . . . 5.3 mt -50.14 -43.47 52.0 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.202 -0.454 . . . . 63.240000000000002 110.88 179.899 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 27' ' ' GLU . . . . . . . . . . . . . 2.1 mt-10 -95.23 -10.74 29.49 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.212 -0.449 . . . . 71.439999999999998 110.846 179.926 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 28' ' ' GLY . . . . . . . . . . . . . . . 62.15 18.21 57.26 Favored Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.786 -0.721 . . . . 71.439999999999998 112.494 -179.931 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 29' ' ' GLY . . . . . . . . . . . . . . . 89.02 18.59 53.7 Favored Glycine 0 N--CA 1.452 -0.274 0 C-N-CA 120.748 -0.739 . . . . 32.539999999999999 112.475 -179.907 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 30' ' ' GLY . . . . . . . . . . . . . . . 135.39 85.24 0.2 Allowed Glycine 0 N--CA 1.451 -0.338 0 C-N-CA 120.755 -0.736 . . . . 43.030000000000001 112.502 -179.914 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 31' ' ' GLY . . . . . . . . . . . . . . . -155.15 152.41 23.93 Favored Glycine 0 N--CA 1.451 -0.328 0 C-N-CA 120.765 -0.731 . . . . 74.040000000000006 112.477 -179.896 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 32' ' ' GLY . . . . . . . . . . . . . . . 52.41 -136.5 35.63 Favored Glycine 0 N--CA 1.452 -0.239 0 C-N-CA 120.714 -0.755 . . . . 62.130000000000003 112.411 -179.979 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 33' ' ' GLY . . . . . . . . . . . . . . . 179.64 -105.35 0.19 Allowed Glycine 0 N--CA 1.451 -0.349 0 C-N-CA 120.751 -0.738 . . . . 50.219999999999999 112.513 -179.888 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 34' ' ' GLY . . . . . . . . . . . . . . . 93.82 -46.84 2.28 Favored Glycine 0 N--CA 1.451 -0.344 0 C-N-CA 120.698 -0.763 . . . . 45.420000000000002 112.562 -179.904 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 35' ' ' GLY . . . . . . . . . . . . . . . 85.04 -85.34 1.57 Allowed Glycine 0 N--CA 1.451 -0.336 0 C-N-CA 120.712 -0.756 . . . . 44.409999999999997 112.5 -179.953 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 36' ' ' GLU . . . . . . . . . . . . . 62.3 tt0 -68.61 -23.32 64.44 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.852 0.358 . . . . 71.329999999999998 110.848 -179.877 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 37' ' ' LEU . . . . . 0.515 HD22 HH21 ' A' ' 58' ' ' ARG . 18.2 tp -51.47 -54.62 25.1 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.201 -0.454 . . . . 63.140000000000001 110.908 -179.984 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 38' ' ' MET . . . . . . . . . . . . . 35.0 ttm -62.01 -38.98 90.71 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.19 -0.459 . . . . 73.340000000000003 110.87 179.863 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 39' ' ' LYS . . . . . . . . . . . . . 2.2 tttp -54.12 -34.57 60.62 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.199 -0.455 . . . . 73.019999999999996 110.889 179.937 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 40' ' ' LEU . . . . . . . . . . . . . 69.4 mt -73.82 -34.98 64.8 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.211 -0.45 . . . . 74.310000000000002 110.959 179.862 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 41' ' ' CYS . . . . . 0.41 ' SG ' HD22 ' A' ' 51' ' ' LEU . 21.0 m -74.9 -29.68 61.07 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 116.253 -0.431 . . . . 61.219999999999999 110.901 179.921 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 42' ' ' GLU . . . . . . . . . . . . . 2.7 mt-10 -62.18 -26.04 68.12 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.161 -0.472 . . . . 74.010000000000005 110.9 -179.899 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 43' ' ' GLU . . . . . . . . . . . . . 3.1 mm-40 -54.89 -34.99 63.62 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.157 -0.474 . . . . 64.109999999999999 110.875 -179.939 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 44' ' ' ALA . . . . . 0.478 ' HB1' 'CL ' ' A' ' 101' ' ' HLT . . . -52.0 -41.49 62.24 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.17 -0.468 . . . . 73.230000000000004 111.089 -179.978 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 45' ' ' ALA . . . . . 0.613 ' HB1' ' HE2' ' B' ' 16' ' ' LYS . . . -75.19 -22.93 57.68 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.258 -0.428 . . . . 73.450000000000003 111.109 179.909 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 46' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -73.85 -48.96 27.38 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.21 -0.45 . . . . 74.319999999999993 110.943 179.982 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 47' ' ' LYS . . . . . . . . . . . . . 1.4 mptp? -63.79 -52.66 59.26 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.235 -0.439 . . . . 74.230000000000004 110.922 179.77 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 48' ' ' ALA . . . . . 0.727 ' HA ' HD12 ' B' ' 51' ' ' LEU . . . -56.04 -34.13 65.6 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.201 -0.454 . . . . 63.450000000000003 111.112 179.835 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 49' ' ' GLU . . . . . . . . . . . . . 2.6 tm-20 -70.58 -42.26 71.3 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.172 -0.467 . . . . 72.219999999999999 110.851 -179.867 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 50' ' ' GLU . . . . . . . . . . . . . 35.1 tt0 -72.65 -26.74 61.76 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.117 -0.492 . . . . 72.430000000000007 110.918 -179.942 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 51' ' ' LEU . . . . . 0.727 HD12 ' HA ' ' B' ' 48' ' ' ALA . 9.8 mt -72.12 -43.86 64.08 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.149 -0.478 . . . . 73.140000000000001 110.922 179.984 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 52' ' ' PHE . . . . . . . . . . . . . 44.8 t80 -57.06 -24.02 50.9 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.254 -0.43 . . . . 71.340000000000003 110.866 179.942 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 53' ' ' LYS . . . . . 0.659 ' HD3' HD21 ' B' ' 62' ' ' LEU . 0.1 OUTLIER -72.12 -46.63 55.87 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.236 -0.438 . . . . 75.319999999999993 110.902 179.956 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' B' B ' 54' ' ' LEU . . . . . 0.483 HD12 ' CD1' ' B' ' 62' ' ' LEU . 18.7 tp -55.23 -25.35 32.76 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.242 -0.436 . . . . 73.25 110.898 179.88 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 55' ' ' ALA . . . . . 0.507 ' HB1' ' HB2' ' B' ' 9' ' ' ALA . . . -54.18 -34.49 60.64 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.268 -0.424 . . . . 71.209999999999994 111.115 179.767 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 56' ' ' GLU . . . . . . . . . . . . . 34.0 tt0 -55.27 -28.18 51.6 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.166 -0.47 . . . . 70.319999999999993 110.844 -179.861 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 57' ' ' GLU . . . . . . . . . . . . . 11.1 tt0 -64.77 -47.05 79.57 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.173 -0.467 . . . . 61.43 110.876 -179.928 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 58' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -77.54 -31.47 53.32 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.092 -0.503 . . . . 72.439999999999998 110.846 -179.86 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 59' ' ' LEU . . . . . 0.546 HD13 ' CA ' ' B' ' 6' ' ' GLU . 19.8 tp -73.26 -62.53 1.44 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.179 -0.464 . . . . 72.409999999999997 110.874 -179.934 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 60' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -120.95 -77.29 0.58 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.172 -0.467 . . . . 63.25 110.905 179.847 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 61' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -179.51 123.26 0.08 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.231 -0.441 . . . . 73.209999999999994 110.919 179.872 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 62' ' ' LEU . . . . . 0.659 HD21 ' HD3' ' B' ' 53' ' ' LYS . 0.9 OUTLIER . . . . . 0 C--N 1.329 -0.293 0 CA-C-N 116.222 -0.444 . . . . 72.329999999999998 110.902 179.896 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 101' ' ' HLT . . . . . 0.659 'CL ' ' HB2' ' B' ' 19' ' ' ALA . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 2.8 mmt . . . . . 0 C--O 1.232 0.142 0 CA-C-O 120.81 0.338 . . . . 63.399999999999999 110.851 . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -101.01 143.72 30.81 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.287 -0.415 . . . . 74.400000000000006 110.886 179.936 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 3' ' ' LYS . . . . . 0.681 ' C ' HD22 ' A' ' 4' ' ' LEU . 4.3 mtmp? -153.46 -55.58 0.11 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.215 -0.448 . . . . 64.140000000000001 110.93 179.879 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 4' ' ' LEU . . . . . 0.681 HD22 ' C ' ' A' ' 3' ' ' LYS . 3.1 mm? -133.71 12.87 4.06 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.266 -0.424 . . . . 70.439999999999998 110.957 179.845 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 2.6 mtp180 -72.34 -47.8 46.82 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.218 -0.447 . . . . 74.409999999999997 110.829 -179.958 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 12.5 pt-20 -53.84 -31.17 48.41 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.185 -0.461 . . . . 65.030000000000001 110.861 -179.927 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 12.1 mm-40 -53.76 -36.94 62.9 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.146 -0.479 . . . . 75.340000000000003 110.945 -179.946 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -65.97 -26.77 67.71 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.069 -0.514 . . . . 73.129999999999995 111.086 179.959 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 9' ' ' ALA . . . . . 0.696 ' HB1' ' CE2' ' A' ' 52' ' ' PHE . . . -74.15 -28.98 61.57 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.195 -0.457 . . . . 63.420000000000002 111.077 179.902 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -75.95 -32.78 59.68 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.284 -0.416 . . . . 74.019999999999996 110.885 179.998 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 11' ' ' LEU . . . . . 0.463 HD12 HD21 ' B' ' 26' ' ' LEU . 47.6 mt -51.64 -49.15 62.84 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.23 -0.441 . . . . 63.450000000000003 110.97 179.883 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 21.6 m-85 -74.27 -22.02 59.49 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.14 -0.482 . . . . 73.239999999999995 110.879 179.936 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 19.5 tt0 -59.5 -37.34 78.03 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.181 -0.463 . . . . 74.409999999999997 110.884 -179.969 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 9.4 mt-10 -75.0 -34.1 61.9 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.16 -0.473 . . . . 64.420000000000002 110.921 -179.921 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 15' ' ' TRP . . . . . . . . . . . . . 19.8 m0 -53.82 -51.77 62.48 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.139 -0.482 . . . . 61.210000000000001 110.926 179.975 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -71.84 -30.57 65.61 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.223 -0.444 . . . . 72.540000000000006 110.891 179.971 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 1.8 tttm -64.72 -51.21 63.59 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.219 -0.446 . . . . 72.519999999999996 110.961 179.852 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 18' ' ' LEU . . . . . 1.104 HD13 HD13 ' B' ' 18' ' ' LEU . 3.2 mt -56.16 -24.98 44.73 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.187 -0.46 . . . . 72.219999999999999 110.951 179.828 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -73.35 -29.42 62.65 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.182 -0.463 . . . . 53.420000000000002 111.112 179.802 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 32.7 mt-10 -73.2 -50.02 24.76 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.176 -0.465 . . . . 72.049999999999997 110.881 -179.92 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 11.2 pt-20 -56.56 -46.51 80.68 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.163 -0.472 . . . . 74.140000000000001 110.847 -179.938 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -64.19 -33.0 74.8 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.158 -0.474 . . . . 62.119999999999997 111.136 179.956 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -70.85 -49.75 42.8 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.207 -0.452 . . . . 71.120000000000005 111.067 179.946 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 9.4 ptpt -64.51 -36.66 84.91 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.225 -0.443 . . . . 75.230000000000004 110.868 179.973 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 11.3 mt -76.76 -38.62 53.81 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.221 -0.445 . . . . 72.540000000000006 110.903 179.991 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 26' ' ' LEU . . . . . 0.456 HD21 HD12 ' B' ' 11' ' ' LEU . 2.8 mt -50.23 -46.24 54.6 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.252 -0.431 . . . . 54.200000000000003 110.961 179.786 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 24.0 tp10 -88.93 -12.0 42.88 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.19 -0.459 . . . . 73.340000000000003 110.835 179.946 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . 66.12 20.9 69.48 Favored Glycine 0 N--CA 1.453 -0.197 0 C-N-CA 120.669 -0.777 . . . . 70.010000000000005 112.477 -179.961 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . -136.14 -54.66 0.06 OUTLIER Glycine 0 N--CA 1.45 -0.37 0 C-N-CA 120.795 -0.717 . . . . 75.519999999999996 112.509 -179.909 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . 134.42 98.33 0.6 Allowed Glycine 0 N--CA 1.45 -0.382 0 C-N-CA 120.828 -0.701 . . . . 35.039999999999999 112.512 -179.93 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . 128.85 -24.63 4.81 Favored Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 120.718 -0.753 . . . . 63.219999999999999 112.536 -179.807 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . 98.94 -179.0 31.14 Favored Glycine 0 N--CA 1.451 -0.31 0 C-N-CA 120.734 -0.746 . . . . 73.510000000000005 112.481 -179.856 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -69.58 -23.63 76.56 Favored Glycine 0 N--CA 1.451 -0.355 0 C-N-CA 120.804 -0.712 . . . . 51.009999999999998 112.428 -179.891 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 72.95 77.97 0.56 Allowed Glycine 0 N--CA 1.45 -0.385 0 C-N-CA 120.73 -0.748 . . . . 50.340000000000003 112.508 -179.865 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . -179.99 -155.87 16.51 Favored Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.75 -0.738 . . . . 64.409999999999997 112.516 -179.87 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 7.8 mt-10 -66.87 -53.11 35.58 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.905 0.384 . . . . 72.230000000000004 110.929 -179.897 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -52.48 -54.62 30.04 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.144 -0.48 . . . . 75.299999999999997 110.906 -179.995 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 38' ' ' MET . . . . . . . . . . . . . 0.8 OUTLIER -59.19 -31.58 69.15 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.186 -0.461 . . . . 62.329999999999998 110.878 179.846 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -54.04 -29.66 44.72 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.192 -0.458 . . . . 75.120000000000005 110.908 -179.981 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 40' ' ' LEU . . . . . 0.799 ' HB3' HD22 ' B' ' 51' ' ' LEU . 43.8 mt -71.44 -33.76 69.66 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.149 -0.478 . . . . 74.049999999999997 110.95 179.927 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 41' ' ' CYS . . . . . . . . . . . . . 25.9 m -74.82 -31.52 61.71 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.13 -0.486 . . . . 53.310000000000002 110.879 179.91 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 37.2 tt0 -71.28 -26.13 62.75 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.22 -0.445 . . . . 62.520000000000003 110.881 -179.87 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 3.3 mm-40 -55.08 -31.23 61.01 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.142 -0.481 . . . . 70.420000000000002 110.933 -179.946 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 44' ' ' ALA . . . . . 0.567 ' HB1' 'CL ' ' A' ' 101' ' ' HLT . . . -51.81 -42.52 62.55 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.125 -0.489 . . . . 74.450000000000003 111.107 179.912 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -75.19 -23.02 57.61 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.214 -0.448 . . . . 54.140000000000001 111.095 179.931 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -72.82 -47.9 42.43 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.234 -0.439 . . . . 75.430000000000007 110.874 179.962 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -74.13 -48.37 29.86 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.247 -0.433 . . . . 45.039999999999999 110.855 179.955 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -52.23 -49.33 64.21 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.251 -0.431 . . . . 53.530000000000001 111.037 179.847 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 53.1 tp10 -54.68 -32.93 60.1 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.208 -0.451 . . . . 53.310000000000002 110.866 -179.929 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -70.31 -26.5 63.81 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.13 -0.486 . . . . 71.340000000000003 110.879 -179.909 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 12.2 mt -71.58 -46.89 58.05 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.187 -0.46 . . . . 74.120000000000005 110.922 179.972 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 52' ' ' PHE . . . . . 0.696 ' CE2' ' HB1' ' A' ' 9' ' ' ALA . 52.0 t80 -57.0 -23.97 50.16 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.17 -0.468 . . . . 72.420000000000002 110.84 179.964 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -51.92 -52.26 51.28 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.254 -0.43 . . . . 64.230000000000004 110.907 -179.99 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 54' ' ' LEU . . . . . 0.609 HD12 HH22 ' A' ' 58' ' ' ARG . 4.3 mm? -60.52 -36.73 79.08 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.187 -0.461 . . . . 73.120000000000005 110.892 179.926 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 55' ' ' ALA . . . . . 0.614 ' HB1' ' HB2' ' A' ' 9' ' ' ALA . . . -56.07 -27.73 54.72 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.222 -0.445 . . . . 60.119999999999997 111.086 179.811 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 51.7 tt0 -77.25 -24.46 51.13 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.232 -0.44 . . . . 54.420000000000002 110.83 -179.895 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 11.7 tp10 -68.87 -48.78 62.55 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.191 -0.459 . . . . 74.540000000000006 110.913 -179.966 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 58' ' ' ARG . . . . . 0.609 HH22 HD12 ' A' ' 54' ' ' LEU . 0.0 OUTLIER -78.0 -30.39 50.05 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.166 -0.47 . . . . 72.200000000000003 110.938 -179.971 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 59' ' ' LEU . . . . . . . . . . . . . 15.9 tp -73.65 -62.39 1.5 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.109 -0.496 . . . . 74.0 110.945 -179.976 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -123.13 -175.55 3.21 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.133 -0.485 . . . . 72.329999999999998 110.876 179.822 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 5.3 tttt -83.49 78.55 9.64 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.187 -0.461 . . . . 73.430000000000007 110.953 179.835 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 5.1 tt . . . . . 0 C--N 1.329 -0.319 0 CA-C-N 116.199 -0.455 . . . . 70.200000000000003 110.899 179.938 . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' B' B ' 1' ' ' MET . . . . . . . . . . . . . 2.7 mmt . . . . . 0 C--O 1.232 0.176 0 CA-C-O 120.815 0.34 . . . . 70.430000000000007 110.847 . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' B' B ' 2' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -100.53 143.24 30.94 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.251 -0.431 . . . . 75.329999999999998 110.904 179.946 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 3' ' ' LYS . . . . . 0.697 ' C ' HD22 ' B' ' 4' ' ' LEU . 4.3 mtmp? -152.46 -56.41 0.13 Allowed 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.253 -0.431 . . . . 61.340000000000003 110.871 179.907 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 4' ' ' LEU . . . . . 0.697 HD22 ' C ' ' B' ' 3' ' ' LYS . 3.1 mm? -133.85 12.3 4.0 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.249 -0.432 . . . . 74.340000000000003 110.898 179.972 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 5' ' ' ARG . . . . . . . . . . . . . 2.3 mtp180 -72.32 -48.04 45.19 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.202 -0.454 . . . . 62.25 110.868 179.975 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 6' ' ' GLU . . . . . . . . . . . . . 14.4 pt-20 -52.88 -28.95 25.46 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.235 -0.439 . . . . 75.140000000000001 110.943 -179.964 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 7' ' ' GLU . . . . . . . . . . . . . 12.1 mm-40 -54.24 -32.83 56.98 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.113 -0.494 . . . . 73.439999999999998 110.914 -179.957 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 8' ' ' ALA . . . . . . . . . . . . . . . -70.35 -26.72 63.87 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.139 -0.482 . . . . 73.239999999999995 111.14 179.881 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 9' ' ' ALA . . . . . 0.796 ' HB2' HD23 ' B' ' 59' ' ' LEU . . . -69.2 -31.02 69.33 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.198 -0.455 . . . . 72.299999999999997 111.121 179.916 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 10' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -75.48 -33.9 60.85 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.204 -0.453 . . . . 73.230000000000004 110.843 -179.974 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 11' ' ' LEU . . . . . 0.456 HD12 HD21 ' A' ' 26' ' ' LEU . 45.4 mt -52.05 -46.78 65.21 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.27 -0.423 . . . . 72.010000000000005 110.863 179.92 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 12' ' ' PHE . . . . . . . . . . . . . 20.6 m-85 -72.9 -21.95 60.82 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.213 -0.449 . . . . 64.299999999999997 110.896 179.95 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 13' ' ' GLU . . . . . . . . . . . . . 19.4 tt0 -58.97 -36.75 75.38 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.111 -0.495 . . . . 62.329999999999998 110.877 -179.906 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 14' ' ' GLU . . . . . . . . . . . . . 9.1 mt-10 -75.1 -34.24 61.7 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.169 -0.469 . . . . 75.310000000000002 110.914 -179.956 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 15' ' ' TRP . . . . . 0.515 ' CZ3' ' HB2' ' A' ' 44' ' ' ALA . 22.6 m0 -54.01 -50.44 66.62 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.115 -0.493 . . . . 73.349999999999994 110.928 -179.942 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 16' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -71.43 -30.9 66.6 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.216 -0.447 . . . . 72.049999999999997 110.887 179.946 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 17' ' ' LYS . . . . . . . . . . . . . 1.8 tttm -65.5 -50.92 63.51 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.218 -0.446 . . . . 73.109999999999999 110.886 179.883 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 18' ' ' LEU . . . . . 1.104 HD13 HD13 ' A' ' 18' ' ' LEU . 3.1 mt -56.07 -24.99 43.34 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.244 -0.435 . . . . 73.430000000000007 110.919 179.884 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 19' ' ' ALA . . . . . . . . . . . . . . . -73.46 -29.42 62.53 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.174 -0.467 . . . . 74.310000000000002 111.146 179.763 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 20' ' ' GLU . . . . . . . . . . . . . 32.5 mt-10 -73.2 -49.93 25.28 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.184 -0.462 . . . . 72.209999999999994 110.871 -179.907 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 21' ' ' GLU . . . . . . . . . . . . . 11.2 pt-20 -56.67 -46.3 81.2 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.18 -0.464 . . . . 71.150000000000006 110.889 -179.903 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 22' ' ' ALA . . . . . . . . . . . . . . . -64.35 -33.02 74.89 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.223 -0.444 . . . . 54.140000000000001 111.077 179.923 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 23' ' ' ALA . . . . . . . . . . . . . . . -70.91 -49.55 44.55 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.18 -0.464 . . . . 61.130000000000003 111.082 179.964 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 24' ' ' LYS . . . . . . . . . . . . . 9.3 ptpt -64.61 -36.7 85.09 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.236 -0.438 . . . . 64.349999999999994 110.911 179.97 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 25' ' ' LEU . . . . . . . . . . . . . 11.4 mt -76.66 -38.67 54.17 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.193 -0.458 . . . . 73.209999999999994 110.894 179.91 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 26' ' ' LEU . . . . . 0.463 HD21 HD12 ' A' ' 11' ' ' LEU . 2.8 mt -50.35 -46.02 55.52 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.25 -0.432 . . . . 72.040000000000006 110.93 179.928 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 27' ' ' GLU . . . . . . . . . . . . . 24.1 tp10 -89.18 -12.11 41.86 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.189 -0.46 . . . . 73.239999999999995 110.866 179.926 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 28' ' ' GLY . . . . . . . . . . . . . . . 66.15 21.92 70.37 Favored Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.784 -0.722 . . . . 62.340000000000003 112.408 179.973 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 29' ' ' GLY . . . . . . . . . . . . . . . -135.76 -54.14 0.06 OUTLIER Glycine 0 N--CA 1.451 -0.33 0 C-N-CA 120.722 -0.752 . . . . 33.340000000000003 112.542 -179.963 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 30' ' ' GLY . . . . . . . . . . . . . . . 134.99 98.21 0.57 Allowed Glycine 0 N--CA 1.451 -0.309 0 C-N-CA 120.706 -0.759 . . . . 61.210000000000001 112.488 -179.948 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 31' ' ' GLY . . . . . . . . . . . . . . . 128.54 -24.01 5.0 Favored Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.758 -0.734 . . . . 42.130000000000003 112.472 -179.915 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 32' ' ' GLY . . . . . . . . . . . . . . . 99.42 -179.57 30.74 Favored Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.766 -0.731 . . . . 73.409999999999997 112.422 -179.964 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 33' ' ' GLY . . . . . . . . . . . . . . . -69.67 -23.17 76.85 Favored Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 120.661 -0.78 . . . . 53.109999999999999 112.49 -179.921 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 34' ' ' GLY . . . . . . . . . . . . . . . 72.63 77.46 0.57 Allowed Glycine 0 N--CA 1.451 -0.35 0 C-N-CA 120.787 -0.721 . . . . 70.129999999999995 112.466 -179.92 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 35' ' ' GLY . . . . . . . . . . . . . . . 179.6 -154.51 13.85 Favored Glycine 0 N--CA 1.452 -0.299 0 C-N-CA 120.668 -0.777 . . . . 53.509999999999998 112.471 -179.908 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 36' ' ' GLU . . . . . . . . . . . . . 7.5 mt-10 -66.14 -51.66 55.77 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.875 0.369 . . . . 74.329999999999998 110.849 -179.824 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 37' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -51.82 -55.2 21.33 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.113 -0.494 . . . . 54.149999999999999 110.906 -179.931 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 38' ' ' MET . . . . . . . . . . . . . 0.8 OUTLIER -59.75 -32.1 70.26 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.147 -0.479 . . . . 72.099999999999994 110.867 179.818 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 39' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -54.61 -29.44 51.78 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.194 -0.457 . . . . 72.430000000000007 110.895 -179.988 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 40' ' ' LEU . . . . . . . . . . . . . 45.8 mt -70.66 -34.17 71.74 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.234 -0.439 . . . . 73.349999999999994 110.904 179.865 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 41' ' ' CYS . . . . . . . . . . . . . 26.1 m -75.07 -33.54 61.69 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.205 -0.452 . . . . 51.149999999999999 110.909 179.965 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 42' ' ' GLU . . . . . . . . . . . . . 37.5 tt0 -73.05 -25.92 61.1 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 116.113 -0.494 . . . . 72.530000000000001 110.858 -179.878 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 43' ' ' GLU . . . . . . . . . . . . . 3.3 mm-40 -55.04 -31.65 61.27 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.219 -0.446 . . . . 75.510000000000005 110.91 -179.908 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 44' ' ' ALA . . . . . . . . . . . . . . . -51.89 -42.72 62.93 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.148 -0.478 . . . . 52.310000000000002 111.124 179.895 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 45' ' ' ALA . . . . . . . . . . . . . . . -75.1 -22.9 57.94 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.247 -0.433 . . . . 41.009999999999998 111.128 179.911 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 46' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -71.55 -47.49 54.71 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.212 -0.449 . . . . 64.510000000000005 110.858 -179.995 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 47' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -73.49 -50.55 20.94 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.268 -0.424 . . . . 72.219999999999999 110.95 179.851 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 48' ' ' ALA . . . . . . . . . . . . . . . -53.09 -48.93 67.38 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.223 -0.444 . . . . 71.530000000000001 111.052 179.822 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 49' ' ' GLU . . . . . . . . . . . . . 53.2 tp10 -54.41 -32.37 57.12 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.241 -0.436 . . . . 73.349999999999994 110.893 -179.89 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 50' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -69.88 -28.96 66.07 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.112 -0.494 . . . . 72.299999999999997 110.855 -179.93 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 51' ' ' LEU . . . . . 0.799 HD22 ' HB3' ' A' ' 40' ' ' LEU . 11.8 mt -73.08 -50.95 19.99 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.131 -0.486 . . . . 71.010000000000005 110.916 -179.931 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 52' ' ' PHE . . . . . 0.585 ' HE2' ' HB1' ' B' ' 9' ' ' ALA . 53.7 t80 -60.36 -23.91 64.66 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.192 -0.458 . . . . 63.109999999999999 110.877 179.92 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 53' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -54.28 -59.22 4.96 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.155 -0.475 . . . . 63.240000000000002 110.854 -179.971 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 54' ' ' LEU . . . . . 0.563 HD12 HH22 ' B' ' 58' ' ' ARG . 4.5 mm? -75.05 -42.51 56.9 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.219 -0.446 . . . . 60.140000000000001 110.887 179.999 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 55' ' ' ALA . . . . . 0.408 ' HA ' ' HD2' ' B' ' 58' ' ' ARG . . . -55.69 -29.28 59.12 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.292 -0.413 . . . . 74.049999999999997 111.076 179.771 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 56' ' ' GLU . . . . . . . . . . . . . 52.4 tt0 -77.24 -24.45 51.18 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.229 -0.441 . . . . 70.019999999999996 110.874 -179.931 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 57' ' ' GLU . . . . . . . . . . . . . 11.4 tp10 -64.63 -48.45 74.8 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.164 -0.471 . . . . 52.229999999999997 110.893 -179.96 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 58' ' ' ARG . . . . . 0.563 HH22 HD12 ' B' ' 54' ' ' LEU . 0.0 OUTLIER -77.79 -31.11 51.67 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.195 -0.457 . . . . 73.129999999999995 110.891 -179.929 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' B' B ' 59' ' ' LEU . . . . . 0.796 HD23 ' HB2' ' B' ' 9' ' ' ALA . 3.8 mp -71.77 -59.05 2.95 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.14 -0.482 . . . . 74.439999999999998 110.873 -179.993 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 60' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -127.73 -178.98 4.7 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.267 -0.424 . . . . 73.349999999999994 110.934 179.833 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 61' ' ' LYS . . . . . . . . . . . . . 5.4 tttt -85.85 79.28 9.31 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.26 -0.427 . . . . 70.040000000000006 110.941 179.865 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 62' ' ' LEU . . . . . . . . . . . . . 4.8 tt . . . . . 0 C--N 1.328 -0.331 0 CA-C-N 116.185 -0.461 . . . . 75.230000000000004 110.877 179.981 . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' A' A ' 101' ' ' HLT . . . . . 0.567 'CL ' ' HB1' ' A' ' 44' ' ' ALA . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.231 0.13 0 CA-C-O 120.822 0.344 . . . . 71.530000000000001 110.884 . . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 63.15 162.26 0.1 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.257 -0.428 . . . . 61.299999999999997 110.898 179.94 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 15.0 ttpt -141.51 -42.54 0.36 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.268 -0.424 . . . . 73.349999999999994 110.945 179.844 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 3.8 mm? -70.99 -33.83 70.79 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.222 -0.444 . . . . 74.140000000000001 110.966 179.883 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 5.4 mtt-85 -72.02 -40.54 68.39 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 116.18 -0.464 . . . . 65.540000000000006 110.903 179.94 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 6' ' ' GLU . . . . . 0.816 ' HA ' HD22 ' A' ' 59' ' ' LEU . 4.9 tt0 -52.99 -27.59 19.9 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.164 -0.471 . . . . 72.129999999999995 110.861 -179.969 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 67.0 mt-10 -55.19 -28.39 52.63 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.184 -0.462 . . . . 71.0 110.878 -179.909 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 8' ' ' ALA . . . . . 0.518 ' HA ' HD21 ' A' ' 11' ' ' LEU . . . -76.12 -26.53 56.46 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.199 -0.455 . . . . 74.239999999999995 111.085 179.918 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 9' ' ' ALA . . . . . 0.834 ' HB2' HD13 ' A' ' 59' ' ' LEU . . . -75.97 -26.95 57.28 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.265 -0.425 . . . . 55.049999999999997 111.106 179.888 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 19.3 mtpt -68.73 -54.57 15.29 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.217 -0.447 . . . . 54.210000000000001 110.871 -179.987 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 11' ' ' LEU . . . . . 0.562 HD12 ' N ' ' A' ' 12' ' ' PHE . 1.6 pp -57.31 -44.75 84.41 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.235 -0.438 . . . . 74.25 110.899 179.94 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 12' ' ' PHE . . . . . 0.562 ' N ' HD12 ' A' ' 11' ' ' LEU . 9.1 m-85 -65.57 -20.19 66.23 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.251 -0.432 . . . . 73.120000000000005 110.915 179.922 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -65.16 -38.99 92.31 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.141 -0.481 . . . . 74.099999999999994 110.909 -179.93 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 4.3 mt-10 -75.47 -28.83 59.41 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.178 -0.465 . . . . 72.230000000000004 110.823 -179.885 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 15' ' ' TRP . . . . . . . . . . . . . 1.0 OUTLIER -63.0 -47.3 83.7 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.136 -0.484 . . . . 71.109999999999999 110.93 -179.975 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 16' ' ' LYS . . . . . 0.416 ' HB2' ' HB1' ' A' ' 48' ' ' ALA . 2.8 ttpt -77.24 -25.13 51.24 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.246 -0.434 . . . . 54.119999999999997 110.931 179.888 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 1.7 mmmt -73.13 -53.93 9.78 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.189 -0.46 . . . . 75.109999999999999 110.892 179.852 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 18' ' ' LEU . . . . . 0.538 HD12 'CL ' ' A' ' 101' ' ' HLT . 77.2 mt -54.77 -32.75 60.42 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.154 -0.475 . . . . 61.130000000000003 110.932 179.926 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 19' ' ' ALA . . . . . 0.431 ' O ' ' HB2' ' A' ' 23' ' ' ALA . . . -68.56 -26.34 65.36 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.192 -0.458 . . . . 54.020000000000003 111.072 179.804 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 1.7 mt-10 -73.3 -49.28 28.4 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.255 -0.429 . . . . 63.43 110.871 -179.889 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 3.3 mm-40 -73.2 -50.14 24.14 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.215 -0.448 . . . . 74.219999999999999 110.889 -179.973 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -56.64 -22.6 35.4 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.146 -0.479 . . . . 73.400000000000006 111.136 179.936 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 23' ' ' ALA . . . . . 0.431 ' HB2' ' O ' ' A' ' 19' ' ' ALA . . . -76.06 -54.75 6.37 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.175 -0.466 . . . . 54.350000000000001 111.083 179.949 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -66.27 -30.14 70.51 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.269 -0.423 . . . . 64.329999999999998 110.912 179.933 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 25' ' ' LEU . . . . . 0.42 HD23 ' HA ' ' A' ' 25' ' ' LEU . 5.4 mt -77.64 -42.21 35.63 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.245 -0.434 . . . . 74.319999999999993 110.907 179.894 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 26' ' ' LEU . . . . . 0.446 HD11 ' CZ ' ' B' ' 12' ' ' PHE . 4.8 mt -50.5 -49.76 54.67 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.153 -0.476 . . . . 74.150000000000006 110.88 179.949 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 18.4 mt-10 -90.69 12.15 19.99 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.188 -0.46 . . . . 62.530000000000001 110.913 179.934 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . -59.58 -14.32 27.9 Favored Glycine 0 N--CA 1.45 -0.375 0 C-N-CA 120.686 -0.769 . . . . 55.119999999999997 112.545 -179.992 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . 136.1 47.35 0.08 OUTLIER Glycine 0 N--CA 1.451 -0.357 0 C-N-CA 120.697 -0.763 . . . . 54.240000000000002 112.471 -179.909 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . 152.13 86.25 0.05 OUTLIER Glycine 0 N--CA 1.451 -0.337 0 C-N-CA 120.708 -0.758 . . . . 53.149999999999999 112.441 -179.936 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . 145.13 40.55 0.05 OUTLIER Glycine 0 N--CA 1.452 -0.279 0 C-N-CA 120.724 -0.751 . . . . 71.420000000000002 112.458 -179.954 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . -161.91 174.2 38.35 Favored Glycine 0 N--CA 1.451 -0.342 0 C-N-CA 120.772 -0.728 . . . . 54.100000000000001 112.487 -179.953 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -161.14 50.38 0.35 Allowed Glycine 0 N--CA 1.451 -0.323 0 C-N-CA 120.733 -0.746 . . . . 55.439999999999998 112.558 -179.924 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 132.19 -135.16 7.99 Favored Glycine 0 N--CA 1.451 -0.34 0 C-N-CA 120.754 -0.736 . . . . 44.039999999999999 112.496 -179.89 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . -130.13 -63.82 0.1 Allowed Glycine 0 N--CA 1.451 -0.34 0 C-N-CA 120.7 -0.762 . . . . 60.140000000000001 112.481 -179.852 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 23.6 tt0 -52.0 -35.04 45.35 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-O 120.915 0.388 . . . . 62.399999999999999 110.939 -179.919 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 37' ' ' LEU . . . . . 0.523 HD21 HH22 ' B' ' 58' ' ' ARG . 7.1 tp -57.0 -47.67 80.3 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.142 -0.481 . . . . 64.319999999999993 110.902 179.978 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 38' ' ' MET . . . . . . . . . . . . . 0.1 OUTLIER -70.54 -27.22 63.99 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.207 -0.451 . . . . 64.329999999999998 110.924 179.852 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -53.81 -27.87 31.87 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.2 -0.455 . . . . 60.240000000000002 110.922 179.898 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 40' ' ' LEU . . . . . 0.723 HD13 ' CB ' ' B' ' 51' ' ' LEU . 2.1 mt -54.89 -61.0 2.6 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.202 -0.454 . . . . 71.230000000000004 110.919 179.941 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 41' ' ' CYS . . . . . . . . . . . . . 20.2 p -68.01 -27.01 66.19 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.218 -0.446 . . . . 73.439999999999998 110.857 179.948 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 29.4 tt0 -58.51 -25.25 62.2 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.17 -0.468 . . . . 75.329999999999998 110.882 -179.856 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 1.4 mm-40 -54.68 -27.7 42.1 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.104 -0.498 . . . . 63.299999999999997 110.903 -179.929 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -51.82 -46.31 64.24 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.187 -0.46 . . . . 73.400000000000006 111.123 179.932 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -72.82 -22.82 60.75 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.246 -0.434 . . . . 74.530000000000001 111.01 179.945 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -77.07 -53.11 8.2 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.223 -0.444 . . . . 74.430000000000007 110.925 179.969 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -68.04 -51.13 50.32 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.235 -0.439 . . . . 71.120000000000005 110.878 179.89 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 48' ' ' ALA . . . . . 0.416 ' HB1' ' HB2' ' A' ' 16' ' ' LYS . . . -51.82 -44.58 63.58 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.325 -0.398 . . . . 62.140000000000001 111.148 179.797 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 41.5 tt0 -77.23 -30.89 54.77 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.186 -0.461 . . . . 64.209999999999994 110.869 -179.906 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 1.3 mm-40 -65.94 -51.34 59.36 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.177 -0.465 . . . . 71.109999999999999 110.861 -179.976 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 51' ' ' LEU . . . . . 0.768 HD22 ' HB3' ' B' ' 41' ' ' CYS . 3.6 pp -70.0 -40.42 75.29 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.154 -0.476 . . . . 70.209999999999994 110.96 -179.918 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 52' ' ' PHE . . . . . . . . . . . . . 34.8 t80 -69.54 -23.82 63.63 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.147 -0.479 . . . . 74.319999999999993 110.922 179.846 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -64.68 -59.0 4.77 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.146 -0.479 . . . . 74.129999999999995 110.947 179.944 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 54' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -75.23 -23.59 57.58 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.12 -0.491 . . . . 74.239999999999995 110.931 179.936 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 55' ' ' ALA . . . . . 0.423 ' HB2' ' O ' ' A' ' 51' ' ' LEU . . . -56.18 -37.03 69.04 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.133 -0.485 . . . . 62.530000000000001 111.107 179.818 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 13.9 mt-10 -53.01 -32.84 48.8 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.223 -0.444 . . . . 74.230000000000004 110.876 -179.922 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 2.0 tm-20 -60.32 -50.99 71.42 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.094 -0.503 . . . . 74.439999999999998 110.898 -179.938 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 58' ' ' ARG . . . . . 0.448 HH22 HD21 ' B' ' 37' ' ' LEU . 0.1 OUTLIER -78.22 -22.3 48.72 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.145 -0.48 . . . . 73.450000000000003 110.886 -179.943 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 59' ' ' LEU . . . . . 0.834 HD13 ' HB2' ' A' ' 9' ' ' ALA . 39.2 mt -82.98 -76.72 0.26 Allowed 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.151 -0.477 . . . . 71.409999999999997 110.89 -179.903 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -102.36 -175.68 2.89 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.23 -0.441 . . . . 51.409999999999997 110.896 179.787 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -101.83 -26.99 13.26 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.221 -0.445 . . . . 65.239999999999995 110.835 179.92 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 1.7 mt . . . . . 0 C--N 1.328 -0.356 0 CA-C-N 116.226 -0.443 . . . . 74.129999999999995 110.906 179.896 . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' B' B ' 1' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.458 -0.074 0 CA-C-O 120.873 0.368 . . . . 63.020000000000003 110.914 . . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 2' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 63.09 162.21 0.1 Allowed 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.161 -0.472 . . . . 72.420000000000002 110.883 179.929 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 3' ' ' LYS . . . . . . . . . . . . . 15.0 ttpt -141.67 -42.35 0.36 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.232 -0.44 . . . . 70.420000000000002 110.837 179.871 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 4' ' ' LEU . . . . . . . . . . . . . 3.8 mm? -71.27 -33.05 69.42 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.211 -0.449 . . . . 72.140000000000001 110.944 179.907 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 5' ' ' ARG . . . . . . . . . . . . . 5.3 mtt-85 -71.88 -40.69 68.74 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.236 -0.438 . . . . 70.340000000000003 110.888 179.906 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 6' ' ' GLU . . . . . 0.802 ' HA ' HD22 ' B' ' 59' ' ' LEU . 4.9 tt0 -53.43 -26.71 21.14 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.19 -0.459 . . . . 71.319999999999993 110.904 -179.948 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 7' ' ' GLU . . . . . . . . . . . . . 67.1 mt-10 -55.02 -28.15 49.89 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.168 -0.469 . . . . 75.329999999999998 110.913 -179.918 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 8' ' ' ALA . . . . . 0.499 ' HA ' HD21 ' B' ' 11' ' ' LEU . . . -75.76 -26.62 57.55 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.142 -0.481 . . . . 55.329999999999998 111.143 179.897 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 9' ' ' ALA . . . . . 0.623 ' HB2' HD13 ' B' ' 59' ' ' LEU . . . -77.22 -26.02 52.27 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.196 -0.456 . . . . 62.109999999999999 111.125 179.922 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 10' ' ' LYS . . . . . . . . . . . . . 19.5 mtpt -68.06 -54.09 20.85 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.224 -0.444 . . . . 62.149999999999999 110.893 179.952 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 11' ' ' LEU . . . . . 0.569 HD12 ' N ' ' B' ' 12' ' ' PHE . 1.5 pp -55.89 -44.33 78.07 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.253 -0.431 . . . . 45.439999999999998 110.871 179.949 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 12' ' ' PHE . . . . . 0.569 ' N ' HD12 ' B' ' 11' ' ' LEU . 14.2 m-85 -67.12 -20.54 65.79 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.227 -0.442 . . . . 73.319999999999993 110.915 179.951 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 13' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -61.99 -26.06 68.0 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.111 -0.495 . . . . 74.040000000000006 110.869 -179.887 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 14' ' ' GLU . . . . . . . . . . . . . 5.1 mt-10 -72.42 -34.45 67.85 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.18 -0.464 . . . . 75.439999999999998 110.895 -179.888 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 15' ' ' TRP . . . . . 0.419 ' CD2' ' HB2' ' B' ' 48' ' ' ALA . 5.6 t90 -66.88 -43.39 83.61 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.114 -0.493 . . . . 74.310000000000002 110.912 179.973 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 16' ' ' LYS . . . . . . . . . . . . . 3.0 ttpt -77.53 -30.31 52.78 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.303 -0.408 . . . . 62.210000000000001 110.947 179.891 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 17' ' ' LYS . . . . . . . . . . . . . 2.5 mmmt -75.3 -58.14 3.47 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.212 -0.449 . . . . 73.409999999999997 110.887 179.822 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 18' ' ' LEU . . . . . . . . . . . . . 89.3 mt -54.55 -31.95 57.41 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.223 -0.444 . . . . 72.400000000000006 110.896 179.962 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 19' ' ' ALA . . . . . 0.491 ' CB ' ' HB2' ' B' ' 45' ' ' ALA . . . -66.14 -28.08 68.52 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.183 -0.462 . . . . 53.539999999999999 111.138 179.761 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 20' ' ' GLU . . . . . . . . . . . . . 1.6 mt-10 -73.57 -49.26 27.23 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.198 -0.455 . . . . 72.329999999999998 110.867 -179.895 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 21' ' ' GLU . . . . . . . . . . . . . 3.3 mm-40 -72.87 -51.3 19.26 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.102 -0.499 . . . . 74.140000000000001 110.889 -179.947 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 22' ' ' ALA . . . . . . . . . . . . . . . -55.59 -22.76 23.65 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.193 -0.458 . . . . 62.520000000000003 111.118 179.907 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 23' ' ' ALA . . . . . 0.429 ' HB2' ' O ' ' B' ' 19' ' ' ALA . . . -76.2 -54.56 6.62 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.182 -0.463 . . . . 64.129999999999995 111.095 179.964 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 24' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -66.75 -29.92 70.01 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.228 -0.442 . . . . 72.310000000000002 110.91 179.928 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 25' ' ' LEU . . . . . 0.435 HD23 ' HA ' ' B' ' 25' ' ' LEU . 5.0 mt -77.69 -42.35 34.84 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.252 -0.431 . . . . 75.420000000000002 110.98 179.912 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 26' ' ' LEU . . . . . . . . . . . . . 5.3 mt -50.44 -50.12 53.06 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.12 -0.491 . . . . 73.109999999999999 110.912 179.849 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 27' ' ' GLU . . . . . . . . . . . . . 18.1 mt-10 -90.71 12.21 19.82 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.169 -0.469 . . . . 72.319999999999993 110.892 179.958 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 28' ' ' GLY . . . . . . . . . . . . . . . -59.29 -14.57 26.97 Favored Glycine 0 N--CA 1.451 -0.331 0 C-N-CA 120.708 -0.758 . . . . 70.209999999999994 112.541 179.998 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 29' ' ' GLY . . . . . . . . . . . . . . . 135.31 46.12 0.09 OUTLIER Glycine 0 N--CA 1.451 -0.364 0 C-N-CA 120.801 -0.714 . . . . 64.329999999999998 112.551 -179.883 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 30' ' ' GLY . . . . . . . . . . . . . . . 150.76 88.57 0.07 OUTLIER Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 120.707 -0.759 . . . . 74.120000000000005 112.48 -179.906 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 31' ' ' GLY . . . . . . . . . . . . . . . 146.58 40.97 0.04 OUTLIER Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.72 -0.752 . . . . 75.230000000000004 112.486 -179.943 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 32' ' ' GLY . . . . . . . . . . . . . . . -161.95 173.09 38.24 Favored Glycine 0 N--CA 1.451 -0.338 0 C-N-CA 120.818 -0.706 . . . . 55.310000000000002 112.555 -179.981 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 33' ' ' GLY . . . . . . . . . . . . . . . -161.96 49.71 0.34 Allowed Glycine 0 N--CA 1.451 -0.358 0 C-N-CA 120.733 -0.746 . . . . 74.340000000000003 112.455 -179.842 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 34' ' ' GLY . . . . . . . . . . . . . . . 131.71 -135.19 8.04 Favored Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 120.755 -0.736 . . . . 64.310000000000002 112.462 -179.958 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 35' ' ' GLY . . . . . . . . . . . . . . . -130.22 -64.67 0.1 Allowed Glycine 0 N--CA 1.45 -0.388 0 C-N-CA 120.745 -0.741 . . . . 72.340000000000003 112.505 -179.945 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 36' ' ' GLU . . . . . . . . . . . . . 23.5 tt0 -52.82 -35.87 57.72 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.892 0.377 . . . . 71.239999999999995 110.886 -179.869 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 37' ' ' LEU . . . . . 0.448 HD21 HH22 ' A' ' 58' ' ' ARG . 7.2 tp -57.37 -47.99 80.19 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.156 -0.474 . . . . 75.329999999999998 110.91 179.941 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 38' ' ' MET . . . . . 0.406 ' HE2' ' HA ' ' B' ' 38' ' ' MET . 0.1 OUTLIER -70.38 -26.64 63.8 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.187 -0.46 . . . . 64.129999999999995 110.827 179.914 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' B' B ' 39' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -54.0 -27.68 33.31 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.267 -0.424 . . . . 72.530000000000001 110.89 179.965 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 40' ' ' LEU . . . . . . . . . . . . . 2.1 mt -54.01 -61.13 2.5 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.244 -0.434 . . . . 65.510000000000005 110.886 179.917 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 41' ' ' CYS . . . . . 0.768 ' HB3' HD22 ' A' ' 51' ' ' LEU . 29.3 p -70.24 -28.4 65.22 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.191 -0.458 . . . . 61.43 110.839 179.997 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 42' ' ' GLU . . . . . . . . . . . . . 29.6 tt0 -60.45 -25.52 66.06 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.194 -0.457 . . . . 60.219999999999999 110.861 -179.822 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 43' ' ' GLU . . . . . . . . . . . . . 1.4 mm-40 -54.97 -26.02 33.8 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.184 -0.462 . . . . 62.43 110.833 -179.937 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 44' ' ' ALA . . . . . . . . . . . . . . . -51.75 -47.5 64.06 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.165 -0.47 . . . . 74.530000000000001 111.1 179.955 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 45' ' ' ALA . . . . . 0.491 ' HB2' ' CB ' ' B' ' 19' ' ' ALA . . . -71.85 -22.86 61.47 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.155 -0.475 . . . . 64.099999999999994 111.133 179.918 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 46' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -76.49 -52.75 9.2 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.225 -0.443 . . . . 64.25 110.923 179.935 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 47' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -68.45 -48.49 64.4 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.248 -0.433 . . . . 74.400000000000006 110.873 179.86 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 48' ' ' ALA . . . . . 0.419 ' HB2' ' CD2' ' B' ' 15' ' ' TRP . . . -51.89 -46.47 64.56 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.186 -0.461 . . . . 65.319999999999993 111.045 179.876 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 49' ' ' GLU . . . . . . . . . . . . . 42.2 tt0 -77.23 -30.6 54.63 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.238 -0.437 . . . . 62.530000000000001 110.852 -179.883 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 50' ' ' GLU . . . . . . . . . . . . . 1.2 mm-40 -64.83 -51.26 63.05 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.226 -0.443 . . . . 71.519999999999996 110.871 -179.945 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 51' ' ' LEU . . . . . 0.723 ' CB ' HD13 ' A' ' 40' ' ' LEU . 3.6 pp -71.67 -40.31 69.7 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.158 -0.474 . . . . 72.310000000000002 110.93 179.989 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 52' ' ' PHE . . . . . 0.405 ' CE1' ' HB1' ' B' ' 9' ' ' ALA . 32.3 t80 -69.06 -23.82 64.09 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.261 -0.427 . . . . 71.329999999999998 110.893 179.916 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 53' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -62.02 -57.01 13.26 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.158 -0.474 . . . . 71.140000000000001 110.937 179.927 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 54' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -75.06 -23.71 58.12 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.207 -0.451 . . . . 74.140000000000001 110.928 179.891 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 55' ' ' ALA . . . . . . . . . . . . . . . -57.7 -36.48 72.04 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.177 -0.465 . . . . 63.350000000000001 111.089 179.811 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 56' ' ' GLU . . . . . . . . . . . . . 14.1 mt-10 -52.97 -33.26 50.47 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.234 -0.439 . . . . 75.209999999999994 110.909 -179.908 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 57' ' ' GLU . . . . . . . . . . . . . 2.0 tm-20 -60.38 -50.36 73.92 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.062 -0.517 . . . . 75.430000000000007 110.876 -179.898 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 58' ' ' ARG . . . . . 0.523 HH22 HD21 ' A' ' 37' ' ' LEU . 0.0 OUTLIER -78.26 -22.65 48.01 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.168 -0.469 . . . . 74.400000000000006 110.824 -179.875 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' B' B ' 59' ' ' LEU . . . . . 0.802 HD22 ' HA ' ' B' ' 6' ' ' GLU . 36.1 mt -83.04 -76.61 0.27 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.221 -0.445 . . . . 63.119999999999997 110.919 -179.983 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 60' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -102.32 -175.79 2.93 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.24 -0.437 . . . . 71.349999999999994 110.927 179.852 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 61' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -101.92 -26.78 13.31 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.298 -0.41 . . . . 70.349999999999994 110.87 179.948 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 62' ' ' LEU . . . . . . . . . . . . . 1.7 mt . . . . . 0 C--N 1.329 -0.315 0 CA-C-N 116.211 -0.449 . . . . 73.450000000000003 110.872 179.877 . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' A' A ' 101' ' ' HLT . . . . . 0.538 'CL ' HD12 ' A' ' 18' ' ' LEU . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 1.4 ttp . . . . . 0 C--O 1.23 0.06 0 CA-C-O 120.859 0.361 . . . . 65.299999999999997 110.864 . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 6.1 pttm -52.1 148.3 6.4 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.176 -0.465 . . . . 64.310000000000002 110.909 179.983 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -178.4 -39.65 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.198 -0.455 . . . . 62.109999999999999 110.941 179.906 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 4.4 mm? -78.4 -32.94 49.02 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.191 -0.459 . . . . 74.439999999999998 110.865 179.929 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -71.72 -35.73 70.28 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.186 -0.461 . . . . 74.0 110.863 179.989 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 6' ' ' GLU . . . . . 0.507 ' CA ' HD13 ' A' ' 59' ' ' LEU . 0.2 OUTLIER -54.31 -27.78 37.9 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.195 -0.457 . . . . 70.319999999999993 110.813 -179.919 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -53.92 -51.81 62.57 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.199 -0.455 . . . . 75.5 110.85 -179.9 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -52.97 -28.13 22.35 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.251 -0.432 . . . . 71.349999999999994 111.102 179.889 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 9' ' ' ALA . . . . . 0.658 ' HB2' ' HB1' ' A' ' 55' ' ' ALA . . . -67.95 -39.21 83.44 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.187 -0.461 . . . . 63.039999999999999 111.103 179.968 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -74.97 -31.87 61.55 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.194 -0.457 . . . . 73.409999999999997 110.882 179.961 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 63.1 mt -51.87 -47.29 64.57 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.265 -0.425 . . . . 70.0 110.948 179.954 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 12' ' ' PHE . . . . . 0.418 ' CZ ' HD13 ' A' ' 51' ' ' LEU . 23.0 m-85 -74.17 -23.37 59.23 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.169 -0.469 . . . . 63.409999999999997 110.871 179.95 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 4.2 tm-20 -61.01 -35.91 78.09 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.095 -0.502 . . . . 74.430000000000007 110.918 -179.933 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 4.3 mt-10 -74.81 -30.4 61.4 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.158 -0.474 . . . . 74.310000000000002 110.917 -179.93 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 15' ' ' TRP . . . . . . . . . . . . . 20.4 m0 -60.04 -52.8 63.84 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.161 -0.472 . . . . 71.0 110.863 -179.995 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 7.2 tttp -68.8 -28.93 67.2 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.269 -0.423 . . . . 74.530000000000001 110.874 179.989 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -68.09 -57.6 5.84 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.236 -0.438 . . . . 70.310000000000002 110.926 179.847 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 18' ' ' LEU . . . . . 0.681 HD13 HD13 ' B' ' 18' ' ' LEU . 3.6 mt -54.93 -44.97 74.75 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.208 -0.451 . . . . 73.299999999999997 110.912 179.902 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -61.71 -34.28 75.51 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.185 -0.461 . . . . 31.239999999999998 111.076 179.831 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -57.88 -49.29 77.23 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.189 -0.46 . . . . 50.409999999999997 110.904 -179.939 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 32.6 mt-10 -74.03 -48.85 27.21 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.205 -0.452 . . . . 60.240000000000002 110.83 -179.915 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -56.38 -31.01 63.43 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.261 -0.427 . . . . 65.120000000000005 111.081 179.941 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -71.02 -54.26 11.86 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.235 -0.439 . . . . 64.120000000000005 111.139 179.893 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 5.3 ptpt -62.53 -35.1 78.37 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.233 -0.439 . . . . 75.120000000000005 110.943 179.881 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 25' ' ' LEU . . . . . 0.401 ' HA ' HD23 ' A' ' 25' ' ' LEU . 6.7 mt -76.53 -39.08 53.96 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.266 -0.425 . . . . 63.5 110.909 179.945 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 2.1 mt -50.44 -49.73 54.1 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.179 -0.464 . . . . 74.030000000000001 110.922 179.902 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -82.64 -12.25 57.78 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.137 -0.483 . . . . 73.140000000000001 110.866 179.967 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . 67.32 20.83 71.76 Favored Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 120.766 -0.73 . . . . 75.409999999999997 112.464 -179.967 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . 70.95 21.36 78.23 Favored Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.799 -0.715 . . . . 70.319999999999993 112.482 -179.882 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . 143.39 -40.54 1.21 Allowed Glycine 0 N--CA 1.452 -0.239 0 C-N-CA 120.684 -0.77 . . . . 52.140000000000001 112.447 -179.939 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . -84.84 77.09 2.14 Favored Glycine 0 N--CA 1.451 -0.347 0 C-N-CA 120.818 -0.706 . . . . 61.32 112.464 -179.867 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . -174.04 -149.48 7.06 Favored Glycine 0 N--CA 1.451 -0.364 0 C-N-CA 120.794 -0.717 . . . . 75.340000000000003 112.505 -179.912 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -65.44 -69.46 1.34 Allowed Glycine 0 N--CA 1.45 -0.376 0 C-N-CA 120.775 -0.726 . . . . 71.25 112.501 -179.944 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 67.27 44.6 85.33 Favored Glycine 0 N--CA 1.452 -0.272 0 C-N-CA 120.75 -0.738 . . . . 73.120000000000005 112.455 -179.9 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . -137.81 -170.33 11.85 Favored Glycine 0 N--CA 1.451 -0.335 0 C-N-CA 120.707 -0.759 . . . . 65.409999999999997 112.467 -179.892 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 28.5 tt0 -54.49 -30.73 54.19 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.852 0.358 . . . . 72.230000000000004 110.876 -179.908 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 1.7 pp -54.19 -30.43 49.66 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.157 -0.474 . . . . 55.219999999999999 110.834 -179.934 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 38' ' ' MET . . . . . . . . . . . . . 0.4 OUTLIER -70.17 -39.27 75.37 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.186 -0.461 . . . . 64.340000000000003 110.898 179.844 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 25.9 ttmt -61.28 -28.31 69.09 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.216 -0.447 . . . . 62.539999999999999 110.906 179.964 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 1.6 mt -59.31 -56.44 22.07 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.207 -0.451 . . . . 55.420000000000002 110.974 179.879 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 41' ' ' CYS . . . . . . . . . . . . . 28.6 p -73.55 -27.89 61.58 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.14 -0.482 . . . . 74.120000000000005 110.804 179.963 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 29.8 tt0 -61.3 -26.11 67.57 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.226 -0.443 . . . . 74.430000000000007 110.893 -179.86 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 2.3 mt-10 -57.06 -26.99 61.31 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.179 -0.464 . . . . 54.409999999999997 110.897 -179.97 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -52.45 -44.13 65.34 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.149 -0.478 . . . . 64.25 111.102 179.909 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -75.05 -24.31 58.23 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.245 -0.434 . . . . 75.319999999999993 111.022 -179.974 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -74.56 -48.72 25.16 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.207 -0.452 . . . . 61.530000000000001 110.936 179.961 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 48.7 mmtt -69.74 -51.98 29.43 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.201 -0.454 . . . . 73.5 110.896 179.852 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -52.1 -40.63 61.54 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.243 -0.435 . . . . 52.530000000000001 111.178 179.77 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 1.7 tt0 -68.75 -34.35 75.44 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.167 -0.47 . . . . 71.409999999999997 110.907 -179.997 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 1.3 tp10 -71.94 -51.03 24.07 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.184 -0.462 . . . . 64.010000000000005 110.896 -179.917 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 51' ' ' LEU . . . . . 0.418 HD13 ' CZ ' ' A' ' 12' ' ' PHE . 1.2 pp -68.07 -26.02 65.63 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.093 -0.503 . . . . 73.219999999999999 110.941 179.966 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 52' ' ' PHE . . . . . . . . . . . . . 12.1 t80 -54.91 -30.81 59.22 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.22 -0.446 . . . . 74.5 110.877 179.965 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 1.1 mtpp -61.54 -35.8 78.76 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.137 -0.483 . . . . 61.340000000000003 110.88 -179.974 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 54' ' ' LEU . . . . . . . . . . . . . 6.6 tp -54.97 -26.22 35.13 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.19 -0.459 . . . . 60.409999999999997 110.859 179.905 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 55' ' ' ALA . . . . . 0.658 ' HB1' ' HB2' ' A' ' 9' ' ' ALA . . . -53.75 -28.88 37.08 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.218 -0.447 . . . . 61.509999999999998 111.187 179.769 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 56' ' ' GLU . . . . . 0.71 ' HB3' HD12 ' A' ' 62' ' ' LEU . 22.0 tt0 -65.53 -52.96 48.69 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.184 -0.462 . . . . 75.140000000000001 110.913 -179.942 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 9.8 tt0 -54.49 -40.8 68.86 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.144 -0.48 . . . . 75.420000000000002 110.888 179.993 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 4.7 mtp180 -78.14 -25.11 47.18 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.126 -0.488 . . . . 73.319999999999993 110.905 -179.882 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 59' ' ' LEU . . . . . 0.507 HD13 ' CA ' ' A' ' 6' ' ' GLU . 63.6 tp -85.55 -68.12 0.75 Allowed 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.158 -0.474 . . . . 43.439999999999998 110.87 -179.974 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 60' ' ' LYS . . . . . 0.46 ' HD3' HD23 ' A' ' 59' ' ' LEU . 0.0 OUTLIER -102.57 -75.28 0.61 Allowed 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.294 -0.412 . . . . 73.140000000000001 110.925 179.806 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER -179.79 -34.4 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.243 -0.435 . . . . 74.5 110.937 179.874 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 62' ' ' LEU . . . . . 0.71 HD12 ' HB3' ' A' ' 56' ' ' GLU . 6.5 tt . . . . . 0 C--N 1.329 -0.302 0 CA-C-N 116.178 -0.465 . . . . 53.420000000000002 110.84 179.88 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 1' ' ' MET . . . . . . . . . . . . . 1.5 ttp . . . . . 0 C--O 1.231 0.117 0 CA-C-O 120.913 0.387 . . . . 64.239999999999995 110.869 . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' B' B ' 2' ' ' LYS . . . . . . . . . . . . . 6.0 pttm -52.17 148.03 6.86 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.232 -0.44 . . . . 75.409999999999997 110.844 179.973 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 3' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -178.36 -39.76 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.175 -0.466 . . . . 74.510000000000005 110.905 179.814 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 4' ' ' LEU . . . . . . . . . . . . . 4.4 mm? -78.25 -32.82 49.86 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.169 -0.469 . . . . 73.099999999999994 110.893 179.984 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 5' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -71.93 -35.89 69.77 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.164 -0.471 . . . . 74.420000000000002 110.863 179.935 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 6' ' ' GLU . . . . . 0.522 ' CA ' HD13 ' B' ' 59' ' ' LEU . 0.2 OUTLIER -54.35 -27.26 34.91 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.232 -0.44 . . . . 74.530000000000001 110.912 -179.933 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' B' B ' 7' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -53.72 -51.64 62.64 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.1 -0.5 . . . . 75.420000000000002 110.916 -179.932 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 8' ' ' ALA . . . . . . . . . . . . . . . -52.86 -27.66 19.44 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.149 -0.478 . . . . 33.420000000000002 111.085 179.935 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 9' ' ' ALA . . . . . 0.68 ' HB2' ' HB1' ' B' ' 55' ' ' ALA . . . -67.16 -39.63 86.54 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.227 -0.442 . . . . 65.230000000000004 111.114 179.905 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 10' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -76.09 -31.98 59.0 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.198 -0.456 . . . . 71.510000000000005 110.931 179.999 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 11' ' ' LEU . . . . . . . . . . . . . 60.9 mt -51.82 -47.5 64.29 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.234 -0.439 . . . . 73.319999999999993 110.882 179.861 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 12' ' ' PHE . . . . . . . . . . . . . 22.7 m-85 -74.08 -23.34 59.33 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.145 -0.48 . . . . 74.230000000000004 110.904 179.981 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 13' ' ' GLU . . . . . . . . . . . . . 4.1 tm-20 -61.01 -35.43 76.84 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.113 -0.494 . . . . 54.439999999999998 110.863 -179.935 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 14' ' ' GLU . . . . . . . . . . . . . 4.3 mt-10 -74.31 -30.93 62.28 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.169 -0.469 . . . . 64.319999999999993 110.885 -179.912 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 15' ' ' TRP . . . . . . . . . . . . . 19.8 m0 -60.19 -53.08 62.02 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.203 -0.453 . . . . 73.530000000000001 110.915 -179.984 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 16' ' ' LYS . . . . . . . . . . . . . 7.2 tttp -68.88 -29.06 67.27 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.201 -0.454 . . . . 73.109999999999999 110.938 179.917 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 17' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -68.2 -57.71 5.59 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.217 -0.447 . . . . 75.140000000000001 110.9 179.875 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 18' ' ' LEU . . . . . 0.681 HD13 HD13 ' A' ' 18' ' ' LEU . 3.6 mt -54.99 -44.94 74.93 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.214 -0.448 . . . . 72.099999999999994 110.918 179.93 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 19' ' ' ALA . . . . . 0.663 ' HB2' 'BR ' ' A' ' 101' ' ' HLT . . . -61.82 -34.44 75.95 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.175 -0.466 . . . . 73.030000000000001 111.137 179.774 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 20' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -57.83 -49.29 77.15 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.275 -0.421 . . . . 75.109999999999999 110.876 -179.989 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 21' ' ' GLU . . . . . . . . . . . . . 32.5 mt-10 -74.09 -48.97 26.1 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.191 -0.459 . . . . 74.540000000000006 110.811 -179.859 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 22' ' ' ALA . . . . . . . . . . . . . . . -56.33 -30.9 63.2 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.185 -0.461 . . . . 73.219999999999999 111.1 179.987 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 23' ' ' ALA . . . . . . . . . . . . . . . -71.08 -54.21 11.92 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.187 -0.461 . . . . 72.519999999999996 111.065 179.922 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 24' ' ' LYS . . . . . . . . . . . . . 5.2 ptpt -62.67 -35.02 78.33 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.289 -0.414 . . . . 75.25 110.877 -179.984 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 25' ' ' LEU . . . . . . . . . . . . . 6.7 mt -76.65 -39.02 53.57 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.185 -0.461 . . . . 75.040000000000006 110.901 179.971 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 26' ' ' LEU . . . . . . . . . . . . . 2.3 mt -50.43 -49.81 53.83 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.21 -0.45 . . . . 72.510000000000005 110.937 179.874 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 27' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -82.46 -12.32 57.92 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.128 -0.487 . . . . 71.349999999999994 110.905 179.9 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 28' ' ' GLY . . . . . . . . . . . . . . . 67.08 21.26 71.63 Favored Glycine 0 N--CA 1.451 -0.325 0 C-N-CA 120.754 -0.736 . . . . 61.219999999999999 112.504 -179.904 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 29' ' ' GLY . . . . . . . . . . . . . . . 71.35 21.15 78.59 Favored Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.735 -0.745 . . . . 60.310000000000002 112.512 -179.925 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 30' ' ' GLY . . . . . . . . . . . . . . . 143.26 -40.44 1.23 Allowed Glycine 0 N--CA 1.451 -0.32 0 C-N-CA 120.721 -0.752 . . . . 43.409999999999997 112.45 -179.902 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 31' ' ' GLY . . . . . . . . . . . . . . . -85.08 77.41 2.11 Favored Glycine 0 N--CA 1.452 -0.298 0 C-N-CA 120.75 -0.738 . . . . 70.140000000000001 112.441 -179.915 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 32' ' ' GLY . . . . . . . . . . . . . . . -173.71 -149.97 7.28 Favored Glycine 0 N--CA 1.452 -0.285 0 C-N-CA 120.75 -0.738 . . . . 73.0 112.458 -179.945 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 33' ' ' GLY . . . . . . . . . . . . . . . -65.67 -69.66 1.29 Allowed Glycine 0 N--CA 1.45 -0.375 0 C-N-CA 120.75 -0.738 . . . . 54.219999999999999 112.566 -179.997 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 34' ' ' GLY . . . . . . . . . . . . . . . 67.37 44.47 84.59 Favored Glycine 0 N--CA 1.45 -0.39 0 C-N-CA 120.739 -0.743 . . . . 64.230000000000004 112.496 -179.95 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 35' ' ' GLY . . . . . . . . . . . . . . . -137.83 -170.46 11.88 Favored Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.693 -0.765 . . . . 72.209999999999994 112.428 -179.924 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 36' ' ' GLU . . . . . . . . . . . . . 28.4 tt0 -54.86 -31.06 59.22 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-O 120.853 0.359 . . . . 73.400000000000006 110.865 -179.842 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 37' ' ' LEU . . . . . . . . . . . . . 1.7 pp -54.34 -31.22 53.93 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.157 -0.474 . . . . 72.140000000000001 110.953 -179.995 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 38' ' ' MET . . . . . . . . . . . . . 0.4 OUTLIER -70.7 -39.08 73.65 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.12 -0.491 . . . . 73.120000000000005 110.965 179.799 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 39' ' ' LYS . . . . . . . . . . . . . 26.0 ttmt -61.26 -28.12 68.95 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.192 -0.458 . . . . 71.329999999999998 110.899 179.908 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 40' ' ' LEU . . . . . . . . . . . . . 1.6 mt -58.82 -56.64 19.65 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.23 -0.441 . . . . 72.329999999999998 110.901 179.926 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 41' ' ' CYS . . . . . . . . . . . . . 29.0 p -73.54 -27.89 61.58 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.219 -0.446 . . . . 52.329999999999998 110.902 179.961 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 42' ' ' GLU . . . . . . . . . . . . . 30.0 tt0 -61.05 -25.94 67.28 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.116 -0.493 . . . . 74.219999999999999 110.917 -179.867 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 43' ' ' GLU . . . . . . . . . . . . . 2.3 mt-10 -56.91 -27.09 60.4 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.11 -0.495 . . . . 73.120000000000005 110.857 -179.877 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 44' ' ' ALA . . . . . . . . . . . . . . . -52.44 -44.02 65.24 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.135 -0.484 . . . . 71.400000000000006 111.082 179.938 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 45' ' ' ALA . . . . . . . . . . . . . . . -75.13 -24.34 57.99 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.222 -0.445 . . . . 74.239999999999995 111.056 -179.988 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 46' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -74.44 -48.93 24.56 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.177 -0.465 . . . . 75.140000000000001 110.853 179.967 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 47' ' ' LYS . . . . . . . . . . . . . 48.5 mmtt -70.13 -51.54 30.67 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.225 -0.443 . . . . 72.230000000000004 110.934 179.873 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 48' ' ' ALA . . . . . . . . . . . . . . . -51.93 -40.56 60.98 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.168 -0.469 . . . . 74.129999999999995 111.118 179.824 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 49' ' ' GLU . . . . . . . . . . . . . 1.7 tt0 -68.62 -34.35 75.6 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.194 -0.457 . . . . 63.399999999999999 110.93 -179.916 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 50' ' ' GLU . . . . . . . . . . . . . 1.3 tp10 -72.25 -50.96 23.25 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.099 -0.5 . . . . 71.030000000000001 110.879 -179.922 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 51' ' ' LEU . . . . . . . . . . . . . 1.2 pp -68.19 -24.06 64.91 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.165 -0.471 . . . . 71.310000000000002 110.917 -179.94 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 52' ' ' PHE . . . . . . . . . . . . . 11.3 t80 -53.99 -31.74 51.83 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.18 -0.463 . . . . 73.040000000000006 110.814 179.992 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 53' ' ' LYS . . . . . . . . . . . . . 1.1 mtpp -61.92 -33.0 73.45 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.174 -0.466 . . . . 74.439999999999998 110.804 179.992 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 54' ' ' LEU . . . . . . . . . . . . . 6.7 tp -55.21 -25.37 32.61 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.326 -0.397 . . . . 53.450000000000003 110.886 179.954 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 55' ' ' ALA . . . . . 0.68 ' HB1' ' HB2' ' B' ' 9' ' ' ALA . . . -54.87 -33.87 62.32 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.21 -0.45 . . . . 30.530000000000001 111.098 179.821 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 56' ' ' GLU . . . . . 0.673 ' HB2' HD12 ' B' ' 62' ' ' LEU . 44.3 mt-10 -66.42 -36.55 83.09 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.239 -0.437 . . . . 72.129999999999995 110.859 -179.922 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 57' ' ' GLU . . . . . . . . . . . . . 9.9 tt0 -59.84 -47.81 84.24 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.178 -0.465 . . . . 65.109999999999999 110.915 -179.953 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 58' ' ' ARG . . . . . . . . . . . . . 3.6 mpp_? -78.8 -29.31 44.81 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.193 -0.458 . . . . 61.409999999999997 110.823 -179.896 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 59' ' ' LEU . . . . . 0.522 HD13 ' CA ' ' B' ' 6' ' ' GLU . 47.5 tp -74.47 -67.08 0.66 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.205 -0.452 . . . . 73.25 110.899 -179.96 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 60' ' ' LYS . . . . . 0.519 ' HD3' HD23 ' B' ' 59' ' ' LEU . 0.0 OUTLIER -111.77 -75.98 0.6 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.205 -0.452 . . . . 72.329999999999998 110.831 179.907 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' B' B ' 61' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER 179.04 -33.81 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.134 -0.485 . . . . 75.019999999999996 110.917 179.918 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 62' ' ' LEU . . . . . 0.673 HD12 ' HB2' ' B' ' 56' ' ' GLU . 6.7 tt . . . . . 0 C--N 1.328 -0.335 0 CA-C-N 116.169 -0.469 . . . . 51.43 110.892 179.897 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 101' ' ' HLT . . . . . 0.663 'BR ' ' HB2' ' B' ' 19' ' ' ALA . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 6.1 mtm . . . . . 0 C--O 1.232 0.14 0 CA-C-O 120.88 0.371 . . . . 64.310000000000002 110.858 . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 6.9 pttt -123.1 171.98 8.89 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.216 -0.447 . . . . 75.129999999999995 110.895 179.935 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 3' ' ' LYS . . . . . 0.433 ' C ' HD22 ' A' ' 4' ' ' LEU . 1.9 mtpt -157.17 49.48 0.45 Allowed 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.248 -0.433 . . . . 72.209999999999994 110.911 179.862 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 4' ' ' LEU . . . . . 0.466 ' N ' HD22 ' A' ' 4' ' ' LEU . 1.7 mm? 60.57 17.86 7.81 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.198 -0.455 . . . . 62.43 110.888 179.891 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 0.8 OUTLIER -72.84 -41.06 65.21 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.223 -0.444 . . . . 75.450000000000003 110.829 -179.982 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 21.5 tt0 -53.96 -30.66 47.76 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.188 -0.46 . . . . 74.209999999999994 110.866 -179.921 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -55.28 -50.24 70.04 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.113 -0.494 . . . . 64.030000000000001 110.85 -179.893 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -54.4 -27.98 40.42 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.127 -0.488 . . . . 42.409999999999997 111.116 179.953 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 9' ' ' ALA . . . . . 0.442 ' HB2' ' HB1' ' A' ' 55' ' ' ALA . . . -74.03 -38.04 64.15 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.181 -0.463 . . . . 74.120000000000005 111.088 179.952 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 1.7 mtmt -70.89 -29.29 65.33 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.262 -0.426 . . . . 75.409999999999997 110.911 179.934 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 56.6 mt -51.65 -45.26 63.3 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.234 -0.439 . . . . 72.209999999999994 110.94 179.942 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 27.4 m-85 -74.23 -29.35 61.67 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.129 -0.487 . . . . 72.120000000000005 110.857 179.962 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -59.69 -36.5 76.63 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.131 -0.486 . . . . 74.129999999999995 110.935 -179.928 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 2.7 mt-10 -75.01 -33.85 61.85 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.123 -0.489 . . . . 75.519999999999996 110.931 179.99 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 15' ' ' TRP . . . . . . . . . . . . . 1.3 m0 -61.42 -45.96 92.14 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.15 -0.477 . . . . 74.349999999999994 110.872 -179.931 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 16' ' ' LYS . . . . . 0.408 ' HB2' ' HB3' ' A' ' 48' ' ' ALA . 0.3 OUTLIER -77.32 -27.57 52.9 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.247 -0.433 . . . . 72.299999999999997 110.841 179.969 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -71.58 -53.13 14.76 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.244 -0.435 . . . . 72.310000000000002 110.835 179.935 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 22.8 mt -54.79 -29.0 53.24 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.247 -0.433 . . . . 72.230000000000004 110.927 179.99 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -65.98 -34.88 79.11 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.142 -0.481 . . . . 74.310000000000002 111.154 179.754 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 3.3 tt0 -56.3 -49.31 74.66 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.185 -0.461 . . . . 62.43 110.86 -179.93 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 1.7 mm-40 -74.1 -51.52 15.46 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.204 -0.453 . . . . 70.230000000000004 110.846 -179.884 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -53.54 -30.64 42.75 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.136 -0.483 . . . . 63.210000000000001 111.113 179.952 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -70.8 -54.09 12.92 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.187 -0.46 . . . . 71.510000000000005 111.11 179.889 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -64.58 -33.42 75.89 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.242 -0.435 . . . . 75.209999999999994 110.9 179.978 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 25' ' ' LEU . . . . . 0.434 HD23 ' HA ' ' A' ' 25' ' ' LEU . 4.8 mt -76.59 -40.35 49.78 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.224 -0.444 . . . . 73.140000000000001 110.932 179.88 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 2.9 mt -50.74 -49.92 56.77 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 116.205 -0.452 . . . . 61.530000000000001 110.975 179.88 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 11.9 mm-40 -93.32 12.51 24.44 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.152 -0.476 . . . . 73.120000000000005 110.872 179.858 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . -59.29 -14.6 27.09 Favored Glycine 0 N--CA 1.453 -0.227 0 C-N-CA 120.784 -0.722 . . . . 55.109999999999999 112.456 -179.945 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . 138.68 47.48 0.06 OUTLIER Glycine 0 N--CA 1.451 -0.342 0 C-N-CA 120.746 -0.74 . . . . 41.030000000000001 112.493 -179.894 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . -175.6 35.09 0.1 OUTLIER Glycine 0 N--CA 1.452 -0.286 0 C-N-CA 120.703 -0.76 . . . . 74.409999999999997 112.43 -179.893 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . -130.01 -120.07 2.2 Favored Glycine 0 N--CA 1.452 -0.289 0 C-N-CA 120.683 -0.77 . . . . 44.030000000000001 112.478 -179.961 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . -109.51 -61.54 0.52 Allowed Glycine 0 N--CA 1.451 -0.347 0 C-N-CA 120.713 -0.756 . . . . 72.239999999999995 112.511 -179.932 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . 151.85 -60.43 0.41 Allowed Glycine 0 N--CA 1.451 -0.343 0 C-N-CA 120.718 -0.753 . . . . 62.109999999999999 112.452 -179.944 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 176.32 82.86 0.06 OUTLIER Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 120.768 -0.73 . . . . 74.519999999999996 112.463 -179.954 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . -144.1 -154.24 6.08 Favored Glycine 0 N--CA 1.451 -0.341 0 C-N-CA 120.707 -0.758 . . . . 72.030000000000001 112.491 -179.947 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 1.5 pt-20 -73.49 -12.69 60.87 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-O 120.8 0.333 . . . . 64.239999999999995 110.895 -179.914 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 4.8 tp -51.46 -55.16 20.33 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.188 -0.46 . . . . 75.030000000000001 110.95 -179.95 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 38' ' ' MET . . . . . . . . . . . . . 33.1 tpp -68.7 -34.42 75.62 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.203 -0.453 . . . . 64.299999999999997 110.874 179.787 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -55.23 -28.68 54.92 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.242 -0.435 . . . . 61.420000000000002 110.943 179.937 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 40' ' ' LEU . . . . . 0.562 ' CB ' HD21 ' B' ' 51' ' ' LEU . 4.7 mt -68.69 -57.13 6.11 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.177 -0.465 . . . . 65.310000000000002 110.892 179.941 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 41' ' ' CYS . . . . . . . . . . . . . 17.8 p -67.68 -24.4 65.41 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.201 -0.454 . . . . 64.409999999999997 110.874 179.962 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 1.7 mt-10 -55.87 -25.13 40.93 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.201 -0.454 . . . . 72.549999999999997 110.903 -179.956 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 12.2 mm-40 -54.28 -28.31 41.09 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.2 -0.455 . . . . 70.340000000000003 110.852 -179.975 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -51.51 -43.5 62.27 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.18 -0.463 . . . . 51.229999999999997 111.126 179.929 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -75.04 -22.84 58.15 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.155 -0.475 . . . . 73.230000000000004 111.128 179.928 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -77.75 -51.03 11.2 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.212 -0.449 . . . . 73.099999999999994 110.925 179.917 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 47' ' ' LYS . . . . . 0.463 ' C ' HD12 ' A' ' 51' ' ' LEU . 0.8 OUTLIER -69.03 -53.41 20.62 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.23 -0.441 . . . . 70.0 110.926 179.837 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 48' ' ' ALA . . . . . 0.408 ' HB3' ' HB2' ' A' ' 16' ' ' LYS . . . -51.96 -29.67 21.48 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.216 -0.447 . . . . 75.25 111.09 179.897 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 2.0 tt0 -71.26 -44.45 65.26 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.185 -0.461 . . . . 73.430000000000007 110.895 -179.961 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 27.1 tp10 -74.0 -33.43 63.8 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.118 -0.492 . . . . 63.299999999999997 110.914 -179.945 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 51' ' ' LEU . . . . . 0.685 ' HG ' HD13 ' B' ' 40' ' ' LEU . 2.4 mt -71.23 -38.2 71.98 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.145 -0.479 . . . . 62.119999999999997 110.886 -179.945 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 52' ' ' PHE . . . . . . . . . . . . . 43.1 t80 -53.86 -30.92 47.74 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.253 -0.43 . . . . 63.340000000000003 110.857 179.973 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 1.6 mptt -75.61 -39.82 57.35 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.136 -0.483 . . . . 75.030000000000001 110.9 179.931 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 54' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -59.54 -25.07 64.22 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.199 -0.455 . . . . 75.420000000000002 110.927 179.94 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 55' ' ' ALA . . . . . 0.442 ' HB1' ' HB2' ' A' ' 9' ' ' ALA . . . -68.4 -30.44 69.35 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.152 -0.476 . . . . 72.150000000000006 111.099 179.785 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 39.6 tt0 -52.83 -34.34 53.5 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.226 -0.443 . . . . 73.439999999999998 110.855 -179.908 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 2.3 tt0 -65.81 -43.0 89.95 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.193 -0.458 . . . . 74.239999999999995 110.901 -179.973 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 2.5 mpt_? -77.75 -25.66 49.33 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.126 -0.488 . . . . 75.439999999999998 110.907 -179.929 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 59' ' ' LEU . . . . . . . . . . . . . 1.5 tp -85.43 -73.65 0.43 Allowed 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.214 -0.448 . . . . 72.409999999999997 110.937 179.999 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -105.57 -175.55 2.83 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.188 -0.46 . . . . 74.420000000000002 110.888 179.782 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 5.5 mttt -102.0 29.49 5.01 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.187 -0.46 . . . . 74.510000000000005 110.93 179.864 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 3.4 mp . . . . . 0 C--N 1.329 -0.291 0 CA-C-N 116.259 -0.428 . . . . 51.25 110.975 179.942 . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' B' B ' 1' ' ' MET . . . . . . . . . . . . . 6.2 mtm . . . . . 0 C--O 1.231 0.116 0 CA-C-O 120.856 0.36 . . . . 71.209999999999994 110.816 . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' B' B ' 2' ' ' LYS . . . . . . . . . . . . . 6.8 pttt -122.3 171.07 9.31 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.18 -0.463 . . . . 75.530000000000001 110.922 179.916 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 3' ' ' LYS . . . . . 0.418 ' C ' HD22 ' B' ' 4' ' ' LEU . 1.7 mtpt -158.01 50.86 0.42 Allowed 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.253 -0.43 . . . . 74.530000000000001 110.925 179.809 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 4' ' ' LEU . . . . . 0.467 HD22 ' N ' ' B' ' 4' ' ' LEU . 1.8 mm? 60.47 18.14 7.93 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.212 -0.449 . . . . 75.019999999999996 110.958 179.977 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 5' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER -73.11 -38.44 66.34 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.195 -0.457 . . . . 54.140000000000001 110.899 179.939 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 6' ' ' GLU . . . . . 0.572 ' N ' HD23 ' B' ' 59' ' ' LEU . 20.3 tt0 -53.78 -28.39 34.56 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.22 -0.445 . . . . 72.5 110.89 -179.979 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 7' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -53.15 -50.97 63.46 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.123 -0.489 . . . . 74.230000000000004 110.924 -179.958 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 8' ' ' ALA . . . . . . . . . . . . . . . -52.51 -27.36 16.1 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.196 -0.456 . . . . 74.230000000000004 111.062 179.957 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 9' ' ' ALA . . . . . 0.697 ' HB2' ' CB ' ' B' ' 55' ' ' ALA . . . -74.26 -37.81 63.64 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.268 -0.424 . . . . 45.140000000000001 111.111 179.933 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 10' ' ' LYS . . . . . . . . . . . . . 1.7 mtmt -70.88 -34.97 72.13 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.238 -0.437 . . . . 74.310000000000002 110.918 179.973 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 11' ' ' LEU . . . . . . . . . . . . . 49.6 mt -51.86 -44.4 63.66 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.239 -0.437 . . . . 64.439999999999998 110.958 179.862 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 12' ' ' PHE . . . . . . . . . . . . . 27.4 m-85 -74.14 -24.97 59.5 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.275 -0.421 . . . . 74.219999999999999 110.882 179.917 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 13' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -53.85 -27.81 32.06 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.174 -0.466 . . . . 75.409999999999997 110.904 -179.938 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 14' ' ' GLU . . . . . . . . . . . . . 2.7 mt-10 -68.16 -38.21 81.84 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.133 -0.485 . . . . 74.319999999999993 110.881 -179.93 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 15' ' ' TRP . . . . . 0.408 ' CD1' ' HB1' ' B' ' 44' ' ' ALA . 5.2 t90 -64.7 -42.42 95.31 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.174 -0.466 . . . . 75.439999999999998 110.909 179.999 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 16' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -77.51 -29.01 52.25 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.276 -0.42 . . . . 70.319999999999993 110.92 179.892 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 17' ' ' LYS . . . . . . . . . . . . . 1.1 mmtp -75.05 -55.53 5.65 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.271 -0.422 . . . . 72.409999999999997 110.888 179.852 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 18' ' ' LEU . . . . . . . . . . . . . 22.7 mt -54.4 -26.95 33.41 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.163 -0.471 . . . . 64.140000000000001 110.942 179.927 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 19' ' ' ALA . . . . . . . . . . . . . . . -64.23 -39.43 93.96 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.161 -0.472 . . . . 72.530000000000001 111.098 179.792 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 20' ' ' GLU . . . . . . . . . . . . . 3.3 tt0 -56.41 -49.65 73.9 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.262 -0.426 . . . . 72.030000000000001 110.837 -179.924 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 21' ' ' GLU . . . . . . . . . . . . . 1.7 mm-40 -74.13 -51.52 15.36 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.16 -0.473 . . . . 75.140000000000001 110.863 -179.904 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 22' ' ' ALA . . . . . . . . . . . . . . . -53.34 -30.66 40.54 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.221 -0.445 . . . . 71.439999999999998 111.126 179.933 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 23' ' ' ALA . . . . . . . . . . . . . . . -70.78 -54.11 12.9 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.225 -0.443 . . . . 75.120000000000005 111.076 179.916 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 24' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -64.67 -33.49 76.06 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.277 -0.42 . . . . 73.340000000000003 110.898 179.989 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 25' ' ' LEU . . . . . 0.439 HD23 ' HA ' ' B' ' 25' ' ' LEU . 4.7 mt -76.46 -40.3 50.84 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.223 -0.444 . . . . 74.239999999999995 110.889 179.927 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 26' ' ' LEU . . . . . . . . . . . . . 2.8 mt -50.75 -50.28 56.06 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.208 -0.451 . . . . 74.239999999999995 110.96 179.916 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 27' ' ' GLU . . . . . . . . . . . . . 12.1 mm-40 -94.49 12.44 27.3 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.197 -0.456 . . . . 55.299999999999997 110.88 179.927 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 28' ' ' GLY . . . . . . . . . . . . . . . -59.22 -14.77 27.43 Favored Glycine 0 N--CA 1.452 -0.278 0 C-N-CA 120.757 -0.735 . . . . 31.129999999999999 112.41 -179.908 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 29' ' ' GLY . . . . . . . . . . . . . . . 136.54 47.11 0.08 OUTLIER Glycine 0 N--CA 1.451 -0.346 0 C-N-CA 120.733 -0.746 . . . . 43.229999999999997 112.455 -179.88 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 30' ' ' GLY . . . . . . . . . . . . . . . -176.46 36.67 0.09 OUTLIER Glycine 0 N--CA 1.451 -0.302 0 C-N-CA 120.739 -0.743 . . . . 50.310000000000002 112.474 -179.91 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 31' ' ' GLY . . . . . . . . . . . . . . . -129.0 -122.66 2.48 Favored Glycine 0 N--CA 1.45 -0.412 0 C-N-CA 120.731 -0.747 . . . . 71.030000000000001 112.502 -179.941 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 32' ' ' GLY . . . . . . . . . . . . . . . -111.62 -61.4 0.47 Allowed Glycine 0 N--CA 1.451 -0.334 0 C-N-CA 120.786 -0.721 . . . . 64.430000000000007 112.518 -179.884 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 33' ' ' GLY . . . . . . . . . . . . . . . 151.84 -58.22 0.43 Allowed Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 120.712 -0.756 . . . . 64.219999999999999 112.477 -179.886 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 34' ' ' GLY . . . . . . . . . . . . . . . 178.27 81.3 0.06 OUTLIER Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 120.732 -0.747 . . . . 53.509999999999998 112.474 -179.906 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 35' ' ' GLY . . . . . . . . . . . . . . . -144.99 -153.55 5.89 Favored Glycine 0 N--CA 1.452 -0.299 0 C-N-CA 120.694 -0.765 . . . . 43.210000000000001 112.525 -179.937 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 36' ' ' GLU . . . . . . . . . . . . . 1.5 pt-20 -73.81 -12.88 60.83 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 120.884 0.373 . . . . 41.530000000000001 110.873 -179.875 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 37' ' ' LEU . . . . . . . . . . . . . 4.6 tp -51.38 -55.86 16.29 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.185 -0.461 . . . . 75.150000000000006 110.929 -179.992 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 38' ' ' MET . . . . . . . . . . . . . 33.5 tpp -69.21 -34.25 74.6 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.206 -0.452 . . . . 64.239999999999995 110.843 179.848 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 39' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -54.17 -29.31 45.15 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.27 -0.423 . . . . 74.030000000000001 110.875 179.953 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 40' ' ' LEU . . . . . 0.685 HD13 ' HG ' ' A' ' 51' ' ' LEU . 5.1 mt -66.56 -59.17 3.87 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.231 -0.44 . . . . 71.319999999999993 110.899 179.955 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 41' ' ' CYS . . . . . . . . . . . . . 18.2 p -67.05 -25.36 66.22 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.141 -0.482 . . . . 72.219999999999999 110.987 179.869 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 42' ' ' GLU . . . . . . . . . . . . . 1.7 mt-10 -57.22 -25.48 59.16 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.125 -0.489 . . . . 75.5 110.89 -179.914 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 43' ' ' GLU . . . . . . . . . . . . . 12.3 mm-40 -54.6 -27.43 39.26 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.142 -0.481 . . . . 53.240000000000002 110.893 -179.935 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 44' ' ' ALA . . . . . 0.408 ' HB1' ' CD1' ' B' ' 15' ' ' TRP . . . -51.71 -45.76 63.69 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.107 -0.497 . . . . 61.130000000000003 111.157 179.887 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 45' ' ' ALA . . . . . . . . . . . . . . . -72.99 -22.91 60.6 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.175 -0.466 . . . . 63.210000000000001 111.109 179.895 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 46' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -76.89 -51.05 11.93 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.227 -0.442 . . . . 65.420000000000002 110.893 179.965 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 47' ' ' LYS . . . . . 0.476 ' C ' HD12 ' B' ' 51' ' ' LEU . 0.8 OUTLIER -70.71 -53.89 13.92 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.276 -0.42 . . . . 70.109999999999999 110.897 179.888 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' B' B ' 48' ' ' ALA . . . . . . . . . . . . . . . -51.89 -29.8 21.42 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.234 -0.439 . . . . 64.450000000000003 111.117 179.859 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 49' ' ' GLU . . . . . . . . . . . . . 2.0 tt0 -70.96 -44.39 66.14 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.18 -0.464 . . . . 75.239999999999995 110.87 -179.94 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 50' ' ' GLU . . . . . . . . . . . . . 27.1 tp10 -74.0 -35.02 64.39 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.147 -0.479 . . . . 75.25 110.975 -179.979 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 51' ' ' LEU . . . . . 0.562 HD21 ' CB ' ' A' ' 40' ' ' LEU . 2.5 mt -73.13 -45.62 55.77 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.088 -0.506 . . . . 71.299999999999997 110.921 -179.972 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 52' ' ' PHE . . . . . . . . . . . . . 42.8 t80 -53.84 -34.83 60.46 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.169 -0.469 . . . . 72.219999999999999 110.934 179.924 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 53' ' ' LYS . . . . . . . . . . . . . 1.7 mptt -76.2 -35.3 59.15 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.067 -0.515 . . . . 74.25 110.915 179.937 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 54' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -54.6 -27.89 42.46 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.248 -0.433 . . . . 72.230000000000004 110.934 179.907 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 55' ' ' ALA . . . . . 0.697 ' CB ' ' HB2' ' B' ' 9' ' ' ALA . . . -73.13 -35.83 66.59 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.081 -0.509 . . . . 51.020000000000003 111.09 179.814 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 56' ' ' GLU . . . . . . . . . . . . . 39.5 tt0 -52.59 -34.26 49.94 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.209 -0.451 . . . . 51.5 110.91 -179.973 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 57' ' ' GLU . . . . . . . . . . . . . 2.3 tt0 -66.11 -40.31 90.63 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 116.137 -0.483 . . . . 71.319999999999993 110.882 -179.878 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 58' ' ' ARG . . . . . . . . . . . . . 2.4 mpt_? -78.42 -28.29 46.78 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.137 -0.483 . . . . 73.430000000000007 110.894 -179.954 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 59' ' ' LEU . . . . . 0.572 HD23 ' N ' ' B' ' 6' ' ' GLU . 1.4 tm? -84.19 -69.95 0.61 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.182 -0.463 . . . . 73.25 110.874 -179.924 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 60' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -109.52 -175.05 2.65 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.204 -0.453 . . . . 75.209999999999994 110.975 179.815 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 61' ' ' LYS . . . . . . . . . . . . . 5.5 mttt -101.94 31.12 4.04 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.276 -0.42 . . . . 51.310000000000002 110.921 179.898 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 62' ' ' LEU . . . . . . . . . . . . . 3.4 mp . . . . . 0 C--N 1.329 -0.323 0 CA-C-N 116.161 -0.472 . . . . 64.219999999999999 110.926 179.996 . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' A' A ' 101' ' ' HLT . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.23 0.062 0 CA-C-O 120.904 0.383 . . . . 74.230000000000004 110.802 . . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -165.25 151.97 10.36 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.177 -0.465 . . . . 73.129999999999995 110.921 179.937 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 9.6 mttt -179.33 -38.48 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.249 -0.432 . . . . 73.25 110.91 179.839 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 4.5 mm? -90.4 -35.71 15.02 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.261 -0.427 . . . . 40.219999999999999 110.931 179.879 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 3.8 mtt-85 -68.21 -37.93 81.38 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.146 -0.479 . . . . 72.200000000000003 110.9 179.962 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 6' ' ' GLU . . . . . 0.408 ' O ' ' HB3' ' A' ' 9' ' ' ALA . 0.4 OUTLIER -53.76 -31.82 50.02 Favored 'General case' 0 C--N 1.331 -0.207 0 CA-C-N 116.152 -0.476 . . . . 60.25 110.898 -179.884 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 45.4 mm-40 -54.0 -42.85 69.52 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.103 -0.499 . . . . 72.200000000000003 110.894 -179.926 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -71.84 -26.71 62.48 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.163 -0.471 . . . . 65.329999999999998 111.11 179.914 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 9' ' ' ALA . . . . . 0.645 ' HB2' HD13 ' A' ' 59' ' ' LEU . . . -55.71 -49.19 73.7 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.256 -0.429 . . . . 63.020000000000003 111.118 179.897 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 20.8 mtpt -55.79 -38.92 70.56 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.173 -0.467 . . . . 64.120000000000005 110.913 179.963 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 44.0 mt -51.71 -41.95 61.88 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.192 -0.458 . . . . 75.129999999999995 110.913 179.944 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 12' ' ' PHE . . . . . 0.428 ' CG ' HD11 ' A' ' 51' ' ' LEU . 22.2 m-85 -74.26 -26.16 60.05 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.156 -0.475 . . . . 65.150000000000006 110.853 179.917 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -58.37 -41.66 85.26 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.201 -0.454 . . . . 64.109999999999999 110.933 -179.947 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 7.1 mt-10 -75.14 -27.57 59.82 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.059 -0.518 . . . . 74.239999999999995 110.923 -179.97 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 15' ' ' TRP . . . . . . . . . . . . . 1.2 m0 -60.67 -48.54 81.32 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.183 -0.462 . . . . 73.140000000000001 110.942 -179.968 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 16' ' ' LYS . . . . . 0.443 ' HB3' ' HB1' ' A' ' 48' ' ' ALA . 16.0 ptmt -77.02 -28.04 54.81 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.247 -0.433 . . . . 62.439999999999998 110.939 179.909 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 8.0 ttmm -69.83 -51.81 30.38 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.166 -0.47 . . . . 74.329999999999998 110.953 179.81 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 18' ' ' LEU . . . . . 0.536 HD13 'BR ' ' A' ' 101' ' ' HLT . 12.0 mt -54.81 -35.94 64.42 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.227 -0.442 . . . . 71.040000000000006 110.972 179.885 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -66.77 -23.37 66.07 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.19 -0.459 . . . . 63.32 111.082 179.8 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 2.1 tp10 -73.02 -49.37 29.21 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.225 -0.443 . . . . 72.239999999999995 110.952 179.998 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 21.3 mt-10 -72.3 -51.0 22.79 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.1 -0.5 . . . . 74.109999999999999 110.925 -179.945 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -54.67 -30.6 55.93 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.142 -0.481 . . . . 52.32 111.132 179.93 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -71.04 -54.33 11.54 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.239 -0.437 . . . . 61.409999999999997 111.094 179.87 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 6.3 ptmt -63.48 -34.29 77.45 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.232 -0.44 . . . . 75.439999999999998 110.859 -179.972 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 6.0 mt -76.75 -39.11 52.83 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.238 -0.437 . . . . 74.230000000000004 110.88 179.939 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 2.2 mt -50.75 -49.9 56.91 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.254 -0.43 . . . . 75.120000000000005 110.927 179.842 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -90.63 12.2 19.68 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.178 -0.465 . . . . 74.049999999999997 110.922 179.9 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . -58.89 -14.72 24.77 Favored Glycine 0 N--CA 1.451 -0.307 0 C-N-CA 120.738 -0.744 . . . . 74.439999999999998 112.501 -179.954 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . 140.07 48.24 0.06 OUTLIER Glycine 0 N--CA 1.451 -0.344 0 C-N-CA 120.72 -0.752 . . . . 42.229999999999997 112.462 -179.92 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . -79.59 -43.28 10.4 Favored Glycine 0 N--CA 1.451 -0.316 0 C-N-CA 120.767 -0.73 . . . . 54.25 112.485 -179.919 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . 98.52 127.97 5.99 Favored Glycine 0 N--CA 1.452 -0.267 0 C-N-CA 120.703 -0.761 . . . . 55.399999999999999 112.461 -179.902 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . 153.57 -129.9 2.81 Favored Glycine 0 N--CA 1.452 -0.293 0 C-N-CA 120.756 -0.735 . . . . 34.119999999999997 112.486 -179.979 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . 167.94 72.3 0.03 OUTLIER Glycine 0 N--CA 1.45 -0.39 0 C-N-CA 120.676 -0.773 . . . . 63.450000000000003 112.491 -179.919 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . -120.54 89.49 0.45 Allowed Glycine 0 N--CA 1.452 -0.267 0 C-N-CA 120.74 -0.743 . . . . 72.109999999999999 112.493 -179.892 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . -52.59 -81.72 0.05 OUTLIER Glycine 0 N--CA 1.452 -0.29 0 C-N-CA 120.681 -0.771 . . . . 64.299999999999997 112.498 -179.923 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 28.2 tt0 -63.11 -21.49 66.22 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.857 0.361 . . . . 72.209999999999994 110.896 -179.882 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 16.1 tp -50.9 -36.14 36.66 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.128 -0.487 . . . . 71.25 110.911 179.952 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 38' ' ' MET . . . . . . . . . . . . . 1.0 OUTLIER -72.65 -35.02 67.65 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.219 -0.446 . . . . 71.450000000000003 110.827 179.889 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 2.2 tttt -58.5 -28.0 65.0 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.189 -0.46 . . . . 74.120000000000005 110.909 179.96 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 40' ' ' LEU . . . . . 0.549 HD13 ' CB ' ' B' ' 51' ' ' LEU . 2.8 mt -59.95 -61.14 2.83 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.234 -0.439 . . . . 51.229999999999997 110.9 179.913 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 41' ' ' CYS . . . . . . . . . . . . . 28.1 p -69.06 -31.3 69.97 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.198 -0.456 . . . . 64.200000000000003 110.843 179.974 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 11.2 tt0 -55.93 -25.48 43.41 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.236 -0.438 . . . . 73.420000000000002 110.891 -179.874 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 2.5 mm-40 -54.54 -29.3 50.44 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.182 -0.463 . . . . 75.120000000000005 110.877 -179.906 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -51.75 -43.79 63.08 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.164 -0.471 . . . . 71.439999999999998 111.134 179.927 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -75.09 -23.1 57.94 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.205 -0.452 . . . . 72.329999999999998 111.094 179.898 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -77.02 -50.36 13.29 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.256 -0.429 . . . . 74.409999999999997 110.974 179.924 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 9.4 mmtm -69.36 -46.86 65.96 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.18 -0.464 . . . . 41.539999999999999 110.874 179.869 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 48' ' ' ALA . . . . . 0.443 ' HB1' ' HB3' ' A' ' 16' ' ' LYS . . . -51.97 -47.11 64.98 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.258 -0.428 . . . . 73.450000000000003 111.186 179.755 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -77.14 -32.46 56.38 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.119 -0.491 . . . . 73.409999999999997 110.902 -179.932 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 1.1 mm-40 -62.69 -51.12 68.44 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.176 -0.466 . . . . 75.109999999999999 110.944 -179.98 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 51' ' ' LEU . . . . . 0.525 ' HA ' HD13 ' B' ' 40' ' ' LEU . 3.9 pp -72.2 -39.88 68.28 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.143 -0.48 . . . . 72.319999999999993 110.968 179.993 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 52' ' ' PHE . . . . . 0.452 ' N ' HD12 ' A' ' 51' ' ' LEU . 76.6 t80 -62.49 -24.14 67.31 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.18 -0.464 . . . . 72.409999999999997 110.893 179.96 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 2.0 tptm -63.8 -59.38 4.63 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.162 -0.472 . . . . 74.340000000000003 110.853 179.942 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 54' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -75.73 -32.72 60.15 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.242 -0.436 . . . . 74.450000000000003 110.882 179.956 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -52.78 -41.08 63.78 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.202 -0.454 . . . . 70.349999999999994 111.053 179.795 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 8.8 pt-20 -54.72 -26.75 35.86 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.238 -0.437 . . . . 75.340000000000003 110.869 -179.871 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 6.0 tt0 -66.25 -55.36 16.5 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.132 -0.485 . . . . 70.140000000000001 110.966 -179.992 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -78.21 -14.27 59.52 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.11 -0.496 . . . . 73.400000000000006 110.871 -179.917 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 59' ' ' LEU . . . . . 0.645 HD13 ' HB2' ' A' ' 9' ' ' ALA . 68.0 mt -87.31 -66.33 0.92 Allowed 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.239 -0.437 . . . . 72.430000000000007 110.979 179.976 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -124.45 -81.2 0.63 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.165 -0.47 . . . . 74.209999999999994 110.973 179.772 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER 177.03 -57.56 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.239 -0.437 . . . . 72.439999999999998 110.89 179.822 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 C--N 1.328 -0.36 0 CA-C-N 116.235 -0.439 . . . . 73.430000000000007 110.933 179.949 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 1' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.232 0.158 0 CA-C-O 120.811 0.339 . . . . 75.129999999999995 110.919 . . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 2' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -164.93 152.21 11.11 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.232 -0.44 . . . . 64.420000000000002 110.921 179.953 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 3' ' ' LYS . . . . . . . . . . . . . 9.5 mttt -179.27 -38.29 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.254 -0.43 . . . . 74.510000000000005 110.933 179.86 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 4' ' ' LEU . . . . . . . . . . . . . 4.5 mm? -90.16 -36.18 14.96 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.31 -0.405 . . . . 74.439999999999998 110.995 179.838 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 5' ' ' ARG . . . . . . . . . . . . . 3.6 mtt-85 -68.84 -38.69 80.0 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.138 -0.483 . . . . 73.420000000000002 110.879 179.9 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 6' ' ' GLU . . . . . 0.404 ' O ' ' HB3' ' B' ' 9' ' ' ALA . 0.3 OUTLIER -53.88 -32.37 53.0 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.239 -0.437 . . . . 73.310000000000002 110.874 -179.918 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' B' B ' 7' ' ' GLU . . . . . . . . . . . . . 45.8 mm-40 -54.73 -42.78 71.97 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.141 -0.482 . . . . 74.200000000000003 110.867 -179.938 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 8' ' ' ALA . . . . . . . . . . . . . . . -70.41 -26.95 63.92 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.098 -0.501 . . . . 65.230000000000004 111.049 -179.996 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 9' ' ' ALA . . . . . 0.642 ' HB2' HD13 ' B' ' 59' ' ' LEU . . . -57.8 -47.37 82.79 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.181 -0.463 . . . . 74.019999999999996 111.041 179.976 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 10' ' ' LYS . . . . . . . . . . . . . 21.1 mtpt -55.88 -37.32 68.68 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.267 -0.424 . . . . 72.030000000000001 110.929 179.958 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 11' ' ' LEU . . . . . . . . . . . . . 47.2 mt -51.8 -42.63 62.63 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.179 -0.464 . . . . 72.049999999999997 110.933 179.952 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 12' ' ' PHE . . . . . . . . . . . . . 23.2 m-85 -74.22 -25.61 59.77 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.19 -0.459 . . . . 72.420000000000002 110.9 179.897 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 13' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -53.87 -31.85 51.17 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.179 -0.464 . . . . 74.319999999999993 110.925 -179.931 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 14' ' ' GLU . . . . . 0.457 ' O ' HD12 ' B' ' 18' ' ' LEU . 7.0 mt-10 -67.19 -31.44 71.83 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.122 -0.49 . . . . 72.329999999999998 110.862 -179.93 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 15' ' ' TRP . . . . . 0.461 ' CD1' ' HB1' ' B' ' 44' ' ' ALA . 4.0 t90 -67.63 -47.0 70.86 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.141 -0.481 . . . . 73.430000000000007 110.942 -179.938 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 16' ' ' LYS . . . . . . . . . . . . . 16.1 ptmt -77.39 -30.02 53.46 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.181 -0.463 . . . . 74.409999999999997 110.845 179.964 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 17' ' ' LYS . . . . . . . . . . . . . 8.2 ttmm -74.36 -54.93 6.63 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.22 -0.445 . . . . 74.340000000000003 110.979 179.819 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 18' ' ' LEU . . . . . 0.457 HD12 ' O ' ' B' ' 14' ' ' GLU . 18.4 mt -54.65 -36.57 64.7 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.224 -0.444 . . . . 65.109999999999999 110.897 179.921 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 19' ' ' ALA . . . . . . . . . . . . . . . -67.02 -26.86 66.99 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.174 -0.466 . . . . 63.210000000000001 111.085 179.812 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 20' ' ' GLU . . . . . . . . . . . . . 2.1 tp10 -73.47 -49.47 26.64 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.29 -0.414 . . . . 63.140000000000001 110.902 -179.97 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 21' ' ' GLU . . . . . . . . . . . . . 21.3 mt-10 -72.64 -51.13 20.8 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.161 -0.472 . . . . 74.319999999999993 110.873 -179.886 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 22' ' ' ALA . . . . . . . . . . . . . . . -54.17 -30.79 50.71 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.141 -0.482 . . . . 53.219999999999999 111.106 179.914 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 23' ' ' ALA . . . . . . . . . . . . . . . -70.96 -54.39 11.49 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.161 -0.472 . . . . 64.420000000000002 111.128 179.949 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 24' ' ' LYS . . . . . . . . . . . . . 6.3 ptmt -63.64 -34.14 77.17 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.178 -0.465 . . . . 75.030000000000001 110.96 179.938 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 25' ' ' LEU . . . . . . . . . . . . . 5.7 mt -76.56 -39.67 52.07 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.229 -0.441 . . . . 50.219999999999999 110.903 179.933 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 26' ' ' LEU . . . . . 0.687 HD13 ' CE ' ' B' ' 38' ' ' MET . 2.1 mt -50.65 -49.91 55.88 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.222 -0.444 . . . . 72.040000000000006 110.929 179.874 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 27' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -90.86 12.32 19.78 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.181 -0.463 . . . . 73.129999999999995 110.865 179.91 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 28' ' ' GLY . . . . . . . . . . . . . . . -58.82 -15.09 25.89 Favored Glycine 0 N--CA 1.451 -0.309 0 C-N-CA 120.746 -0.74 . . . . 63.399999999999999 112.469 -179.976 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 29' ' ' GLY . . . . . . . . . . . . . . . 136.59 46.08 0.08 OUTLIER Glycine 0 N--CA 1.452 -0.28 0 C-N-CA 120.777 -0.725 . . . . 61.149999999999999 112.476 -179.892 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 30' ' ' GLY . . . . . . . . . . . . . . . -83.25 -42.82 7.78 Favored Glycine 0 N--CA 1.452 -0.271 0 C-N-CA 120.75 -0.738 . . . . 42.509999999999998 112.43 -179.905 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 31' ' ' GLY . . . . . . . . . . . . . . . 97.99 123.78 4.81 Favored Glycine 0 N--CA 1.452 -0.284 0 C-N-CA 120.766 -0.731 . . . . 75.239999999999995 112.529 -179.859 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 32' ' ' GLY . . . . . . . . . . . . . . . 147.08 -110.97 0.54 Allowed Glycine 0 N--CA 1.452 -0.27 0 C-N-CA 120.7 -0.762 . . . . 65.209999999999994 112.46 -179.898 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 33' ' ' GLY . . . . . . . . . . . . . . . -166.22 97.22 0.14 Allowed Glycine 0 N--CA 1.451 -0.359 0 C-N-CA 120.704 -0.76 . . . . 53.049999999999997 112.498 -179.886 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 34' ' ' GLY . . . . . . . . . . . . . . . -90.27 44.97 2.96 Favored Glycine 0 N--CA 1.452 -0.273 0 C-N-CA 120.726 -0.749 . . . . 74.349999999999994 112.523 -179.907 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 35' ' ' GLY . . . . . . . . . . . . . . . -79.18 -102.91 0.23 Allowed Glycine 0 N--CA 1.451 -0.337 0 C-N-CA 120.712 -0.756 . . . . 70.349999999999994 112.468 -179.845 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 36' ' ' GLU . . . . . . . . . . . . . 30.4 tt0 -75.73 -24.42 56.14 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 120.901 0.381 . . . . 63.210000000000001 110.896 -179.882 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 37' ' ' LEU . . . . . . . . . . . . . 14.6 tp -59.71 -36.67 77.01 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.092 -0.503 . . . . 74.209999999999994 110.921 -179.982 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 38' ' ' MET . . . . . 0.687 ' CE ' HD13 ' B' ' 26' ' ' LEU . 1.3 ttm -68.34 -30.0 68.87 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.141 -0.481 . . . . 72.140000000000001 110.866 179.857 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 39' ' ' LYS . . . . . . . . . . . . . 2.4 tttt -54.34 -29.33 47.71 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.285 -0.416 . . . . 75.319999999999993 110.916 179.926 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 40' ' ' LEU . . . . . 0.525 HD13 ' HA ' ' A' ' 51' ' ' LEU . 2.5 mt -62.08 -60.97 2.83 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.189 -0.46 . . . . 71.519999999999996 110.91 179.93 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 41' ' ' CYS . . . . . . . . . . . . . 28.7 p -69.35 -29.36 67.15 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.198 -0.456 . . . . 73.25 110.869 179.917 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 42' ' ' GLU . . . . . . . . . . . . . 11.3 tt0 -56.15 -25.83 47.99 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.18 -0.463 . . . . 52.340000000000003 110.807 -179.797 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 43' ' ' GLU . . . . . . . . . . . . . 2.5 mm-40 -54.81 -28.99 53.5 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.193 -0.458 . . . . 62.32 110.842 -179.862 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 44' ' ' ALA . . . . . 0.461 ' HB1' ' CD1' ' B' ' 15' ' ' TRP . . . -51.85 -45.73 64.14 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.143 -0.48 . . . . 62.350000000000001 111.098 179.909 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 45' ' ' ALA . . . . . . . . . . . . . . . -75.13 -22.9 57.87 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.209 -0.451 . . . . 65.0 111.104 179.955 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 46' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -75.33 -49.54 18.81 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.229 -0.441 . . . . 74.319999999999993 110.905 179.946 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 47' ' ' LYS . . . . . . . . . . . . . 9.4 mmtm -72.67 -46.33 54.37 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.235 -0.438 . . . . 64.510000000000005 110.912 179.858 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 48' ' ' ALA . . . . . . . . . . . . . . . -51.96 -46.18 64.67 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.233 -0.44 . . . . 71.219999999999999 111.08 179.839 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 49' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -75.88 -29.7 58.58 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.194 -0.457 . . . . 75.219999999999999 110.857 -179.933 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 50' ' ' GLU . . . . . . . . . . . . . 1.1 mm-40 -63.25 -51.24 67.0 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.196 -0.456 . . . . 62.130000000000003 110.883 -179.895 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 51' ' ' LEU . . . . . 0.549 ' CB ' HD13 ' A' ' 40' ' ' LEU . 3.8 pp -73.27 -38.97 65.76 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.154 -0.475 . . . . 53.520000000000003 110.89 -179.967 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 52' ' ' PHE . . . . . 0.437 ' N ' HD12 ' B' ' 51' ' ' LEU . 75.8 t80 -62.95 -24.06 67.69 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.977 0.418 . . . . 72.519999999999996 110.893 179.923 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 53' ' ' LYS . . . . . . . . . . . . . 2.0 tptm -62.24 -59.17 5.42 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.155 -0.475 . . . . 72.099999999999994 110.896 179.915 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 54' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -75.26 -37.55 60.9 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.225 -0.443 . . . . 74.430000000000007 110.928 179.933 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 55' ' ' ALA . . . . . . . . . . . . . . . -56.97 -38.93 73.68 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.192 -0.458 . . . . 64.140000000000001 111.038 179.828 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 56' ' ' GLU . . . . . 0.653 ' CD ' HD23 ' B' ' 62' ' ' LEU . 16.3 tt0 -56.82 -24.88 54.16 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.229 -0.441 . . . . 61.299999999999997 110.912 -179.934 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 57' ' ' GLU . . . . . . . . . . . . . 6.4 tt0 -66.83 -54.32 23.66 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.109 -0.496 . . . . 71.310000000000002 110.904 -179.969 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 58' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -77.29 -18.5 57.48 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.135 -0.484 . . . . 75.340000000000003 110.842 -179.897 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 59' ' ' LEU . . . . . 0.642 HD13 ' HB2' ' B' ' 9' ' ' ALA . 62.7 mt -82.41 -50.98 8.28 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.266 -0.425 . . . . 54.409999999999997 110.905 -179.987 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 60' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -110.18 -65.8 1.12 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.136 -0.484 . . . . 74.129999999999995 110.885 179.839 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 61' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -179.56 -69.21 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.279 -0.419 . . . . 63.549999999999997 110.916 179.859 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 62' ' ' LEU . . . . . 0.653 HD23 ' CD ' ' B' ' 56' ' ' GLU . 0.2 OUTLIER . . . . . 0 C--N 1.329 -0.316 0 CA-C-N 116.195 -0.457 . . . . 73.439999999999998 110.885 179.929 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 101' ' ' HLT . . . . . 0.536 'BR ' HD13 ' A' ' 18' ' ' LEU . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 4.1 mtt . . . . . 0 C--O 1.232 0.147 0 CA-C-O 120.81 0.338 . . . . 74.140000000000001 110.844 . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -123.5 142.36 51.08 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.236 -0.438 . . . . 72.219999999999999 110.834 179.953 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -143.52 -70.37 0.31 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.225 -0.443 . . . . 73.430000000000007 110.943 179.836 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 4' ' ' LEU . . . . . 0.444 HD23 ' H ' ' A' ' 4' ' ' LEU . 1.6 pt? -135.77 8.15 3.28 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.212 -0.449 . . . . 64.25 110.901 179.905 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -72.01 -33.97 68.49 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.18 -0.464 . . . . 74.25 110.901 179.967 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 18.0 pt-20 -55.25 -26.02 37.17 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.18 -0.463 . . . . 73.209999999999994 110.877 -179.948 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 2.0 pp20? -53.47 -31.5 46.0 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.096 -0.502 . . . . 71.129999999999995 110.931 -179.888 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -72.45 -28.42 62.92 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.127 -0.488 . . . . 71.25 111.049 179.897 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 9' ' ' ALA . . . . . 0.619 ' HB1' ' CE1' ' A' ' 52' ' ' PHE . . . -71.57 -41.57 68.86 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.324 -0.398 . . . . 63.43 111.102 179.923 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -58.08 -35.68 71.73 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.232 -0.44 . . . . 64.310000000000002 110.891 179.962 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 11' ' ' LEU . . . . . 0.431 HD12 ' CD2' ' B' ' 26' ' ' LEU . 41.6 mt -51.97 -44.11 63.85 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.199 -0.455 . . . . 73.340000000000003 110.901 179.945 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 22.4 m-85 -74.03 -22.14 59.68 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.208 -0.451 . . . . 64.340000000000003 110.854 179.913 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 5.1 tt0 -61.61 -41.26 97.21 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.157 -0.474 . . . . 63.530000000000001 110.88 -179.936 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 14' ' ' GLU . . . . . 0.407 ' O ' HD12 ' A' ' 18' ' ' LEU . 4.6 mt-10 -75.51 -30.46 59.81 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.109 -0.496 . . . . 72.200000000000003 110.934 -179.918 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 15' ' ' TRP . . . . . 0.424 ' HZ2' ' HB3' ' B' ' 22' ' ' ALA . 21.3 m0 -54.01 -56.11 21.02 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.105 -0.498 . . . . 74.319999999999993 110.9 -179.973 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 16' ' ' LYS . . . . . 0.575 ' HB3' ' HB3' ' A' ' 48' ' ' ALA . 8.3 ptmt -68.47 -41.36 80.28 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.3 -0.409 . . . . 52.439999999999998 110.94 179.918 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -54.95 -52.07 64.17 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.215 -0.448 . . . . 50.119999999999997 110.87 179.874 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 18' ' ' LEU . . . . . 0.407 HD12 ' O ' ' A' ' 14' ' ' GLU . 5.6 mt -59.99 -35.13 74.35 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.266 -0.425 . . . . 73.439999999999998 110.953 179.937 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 19' ' ' ALA . . . . . 0.464 ' HB2' ' F2 ' ' A' ' 101' ' ' HLT . . . -73.15 -30.24 63.44 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.136 -0.484 . . . . 74.519999999999996 111.055 179.82 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 1.4 mm-40 -58.1 -49.48 76.8 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.211 -0.45 . . . . 53.32 110.896 -179.899 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 1.3 mm-40 -74.23 -48.54 28.12 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.165 -0.471 . . . . 62.32 110.823 -179.898 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 22' ' ' ALA . . . . . 0.458 ' HB3' ' HZ2' ' B' ' 15' ' ' TRP . . . -56.71 -30.58 63.64 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.178 -0.464 . . . . 75.530000000000001 111.136 179.93 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -70.77 -54.41 11.79 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.217 -0.447 . . . . 74.010000000000005 111.086 179.978 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 4.2 ptmt -62.49 -35.55 79.7 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.228 -0.442 . . . . 74.150000000000006 110.861 -179.988 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 25' ' ' LEU . . . . . 0.407 HD23 ' HA ' ' A' ' 25' ' ' LEU . 7.2 mt -76.89 -36.71 56.5 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.206 -0.452 . . . . 65.409999999999997 110.834 179.988 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 26' ' ' LEU . . . . . 0.724 HD23 ' HB1' ' B' ' 8' ' ' ALA . 0.8 OUTLIER -50.24 -55.32 15.79 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.258 -0.428 . . . . 60.340000000000003 110.85 179.946 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 1.6 pt-20 -82.15 -7.82 59.63 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.273 -0.421 . . . . 72.209999999999994 110.82 -179.997 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . 54.74 24.38 32.78 Favored Glycine 0 N--CA 1.452 -0.281 0 C-N-CA 120.735 -0.745 . . . . 61.030000000000001 112.461 179.966 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . 94.32 12.59 55.94 Favored Glycine 0 N--CA 1.45 -0.407 0 C-N-CA 120.726 -0.75 . . . . 64.140000000000001 112.522 -179.884 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . -137.54 -116.11 1.45 Allowed Glycine 0 N--CA 1.451 -0.326 0 C-N-CA 120.796 -0.716 . . . . 63.119999999999997 112.524 -179.956 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . 76.62 116.48 0.14 Allowed Glycine 0 N--CA 1.452 -0.285 0 C-N-CA 120.73 -0.748 . . . . 72.140000000000001 112.483 -179.897 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . 51.87 48.48 51.11 Favored Glycine 0 N--CA 1.452 -0.291 0 C-N-CA 120.807 -0.711 . . . . 72.540000000000006 112.458 -179.916 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . 79.37 -57.51 4.42 Favored Glycine 0 N--CA 1.451 -0.335 0 C-N-CA 120.739 -0.743 . . . . 75.299999999999997 112.423 -179.955 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . -123.43 -53.52 0.2 Allowed Glycine 0 N--CA 1.451 -0.365 0 C-N-CA 120.778 -0.725 . . . . 64.420000000000002 112.467 -179.894 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 168.95 34.56 0.02 OUTLIER Glycine 0 N--CA 1.452 -0.281 0 C-N-CA 120.683 -0.77 . . . . 54.0 112.458 -179.834 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 26.2 tt0 -76.66 -27.96 55.81 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 120.848 0.356 . . . . 63.439999999999998 110.892 -179.88 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 3.4 mt -77.22 -59.04 2.94 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.179 -0.464 . . . . 63.439999999999998 110.918 179.992 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 38' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -55.07 -26.82 40.34 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.169 -0.469 . . . . 75.319999999999993 110.921 179.793 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -57.11 -28.16 62.43 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.191 -0.458 . . . . 74.230000000000004 110.906 179.923 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 3.3 mt -74.37 -43.53 56.1 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 116.223 -0.444 . . . . 71.209999999999994 110.889 179.923 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 41' ' ' CYS . . . . . . . . . . . . . 17.9 m -75.02 -27.96 60.29 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.224 -0.444 . . . . 71.540000000000006 110.884 179.917 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 70.5 tt0 -55.57 -25.51 38.43 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.15 -0.477 . . . . 62.210000000000001 110.934 -179.877 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 3.7 mm-40 -54.58 -28.6 47.26 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.122 -0.49 . . . . 75.200000000000003 110.872 -179.972 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -52.03 -44.93 64.44 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.187 -0.46 . . . . 70.010000000000005 111.113 179.908 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 45' ' ' ALA . . . . . 0.432 ' HB2' ' HB3' ' A' ' 19' ' ' ALA . . . -75.25 -24.64 57.67 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.239 -0.437 . . . . 73.030000000000001 111.114 179.914 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -73.94 -48.44 30.56 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.228 -0.442 . . . . 75.510000000000005 110.892 179.996 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 4.8 mttm -57.26 -36.76 71.37 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.159 -0.473 . . . . 72.219999999999999 110.9 179.909 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 48' ' ' ALA . . . . . 0.575 ' HB3' ' HB3' ' A' ' 16' ' ' LYS . . . -58.44 -36.73 74.11 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.207 -0.451 . . . . 72.430000000000007 111.129 179.794 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 17.2 tt0 -76.88 -36.19 56.91 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.31 -0.404 . . . . 73.200000000000003 110.901 -179.985 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 1.8 mm-40 -69.44 -45.28 69.51 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.097 -0.501 . . . . 75.049999999999997 110.901 -179.885 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 51' ' ' LEU . . . . . 0.487 HD13 ' HB3' ' B' ' 41' ' ' CYS . 4.5 pp -72.39 -23.73 61.15 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.18 -0.464 . . . . 73.019999999999996 110.945 179.95 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 52' ' ' PHE . . . . . 0.619 ' CE1' ' HB1' ' A' ' 9' ' ' ALA . 90.1 t80 -56.44 -23.93 41.97 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.235 -0.438 . . . . 75.209999999999994 110.869 179.945 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -52.2 -42.82 63.82 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.174 -0.467 . . . . 63.520000000000003 110.904 179.926 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 54' ' ' LEU . . . . . . . . . . . . . 62.5 mt -64.17 -29.03 70.17 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.199 -0.455 . . . . 75.239999999999995 110.854 179.983 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 55' ' ' ALA . . . . . 0.534 ' HB1' ' HB2' ' A' ' 9' ' ' ALA . . . -55.39 -29.12 57.89 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.239 -0.437 . . . . 34.109999999999999 111.102 179.786 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 3.9 mt-10 -77.66 -24.74 49.34 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.255 -0.43 . . . . 75.549999999999997 110.846 -179.861 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 25.8 mm-40 -63.28 -47.63 81.54 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.179 -0.464 . . . . 72.430000000000007 110.812 -179.924 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 58' ' ' ARG . . . . . 0.4 ' HD2' ' HA ' ' A' ' 55' ' ' ALA . 0.0 OUTLIER -79.05 -22.19 45.72 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.173 -0.467 . . . . 72.420000000000002 110.877 -179.892 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 59' ' ' LEU . . . . . . . . . . . . . 2.0 tt -84.15 -69.02 0.67 Allowed 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.236 -0.438 . . . . 74.239999999999995 110.926 -179.998 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -112.73 -175.98 2.8 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.172 -0.467 . . . . 74.120000000000005 110.936 179.827 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 1.9 pttt -91.35 -31.04 16.22 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.289 -0.414 . . . . 75.140000000000001 110.902 179.862 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER . . . . . 0 C--N 1.328 -0.343 0 CA-C-N 116.228 -0.442 . . . . 71.129999999999995 110.905 179.92 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 1' ' ' MET . . . . . . . . . . . . . 4.1 mtt . . . . . 0 C--O 1.231 0.122 0 CA-C-O 120.83 0.348 . . . . 63.32 110.911 . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' B' B ' 2' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -123.18 143.47 50.0 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.199 -0.455 . . . . 70.019999999999996 110.943 179.922 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 3' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -142.45 -70.84 0.33 Allowed 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.231 -0.441 . . . . 71.310000000000002 110.917 179.84 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 4' ' ' LEU . . . . . 0.449 ' H ' HD23 ' B' ' 4' ' ' LEU . 1.7 pt? -134.82 7.38 3.48 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.294 -0.412 . . . . 65.530000000000001 110.907 179.909 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 5' ' ' ARG . . . . . . . . . . . . . 2.5 mtt-85 -70.45 -31.93 69.3 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.175 -0.466 . . . . 74.530000000000001 110.896 179.959 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 6' ' ' GLU . . . . . . . . . . . . . 19.9 pt-20 -51.8 -26.62 10.13 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.125 -0.488 . . . . 65.540000000000006 110.892 -179.936 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 7' ' ' GLU . . . . . . . . . . . . . 2.5 pp20? -53.14 -33.37 52.12 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.162 -0.472 . . . . 61.409999999999997 110.853 -179.936 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 8' ' ' ALA . . . . . 0.724 ' HB1' HD23 ' A' ' 26' ' ' LEU . . . -76.7 -26.92 55.23 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.149 -0.478 . . . . 72.420000000000002 111.144 179.902 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 9' ' ' ALA . . . . . 0.985 ' HB2' HD13 ' B' ' 59' ' ' LEU . . . -60.69 -44.23 96.77 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.224 -0.444 . . . . 73.099999999999994 111.096 179.911 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 10' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -55.64 -37.03 67.66 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.238 -0.437 . . . . 72.420000000000002 110.909 179.986 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 11' ' ' LEU . . . . . 0.466 HD12 ' HG ' ' A' ' 26' ' ' LEU . 25.4 mt -52.75 -42.83 65.32 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.181 -0.463 . . . . 73.340000000000003 110.867 179.925 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 12' ' ' PHE . . . . . 0.418 ' CE1' HD11 ' A' ' 26' ' ' LEU . 24.5 m-85 -71.99 -23.53 61.43 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.232 -0.44 . . . . 72.239999999999995 110.916 179.952 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 13' ' ' GLU . . . . . . . . . . . . . 5.1 tt0 -60.93 -40.38 93.02 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.104 -0.498 . . . . 62.439999999999998 110.882 -179.958 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 14' ' ' GLU . . . . . . . . . . . . . 4.6 mt-10 -75.62 -31.49 59.91 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.139 -0.482 . . . . 62.310000000000002 110.928 -179.927 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 15' ' ' TRP . . . . . 0.458 ' HZ2' ' HB3' ' A' ' 22' ' ' ALA . 18.1 m0 -54.0 -56.06 21.41 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.082 -0.508 . . . . 74.030000000000001 110.871 -179.897 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 16' ' ' LYS . . . . . . . . . . . . . 8.3 ptmt -67.71 -39.75 84.33 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.307 -0.406 . . . . 70.109999999999999 110.93 179.885 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 17' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -56.54 -50.55 71.53 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.244 -0.435 . . . . 73.319999999999993 110.838 179.933 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 18' ' ' LEU . . . . . . . . . . . . . 5.4 mt -56.09 -38.28 70.5 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.249 -0.432 . . . . 72.129999999999995 110.945 179.894 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 19' ' ' ALA . . . . . 0.652 ' CB ' ' HB2' ' B' ' 45' ' ' ALA . . . -73.1 -32.33 64.9 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.256 -0.429 . . . . 53.039999999999999 111.118 179.755 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 20' ' ' GLU . . . . . . . . . . . . . 1.4 mm-40 -58.12 -49.31 77.42 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.223 -0.444 . . . . 73.319999999999993 110.883 -179.968 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 21' ' ' GLU . . . . . . . . . . . . . 1.3 mm-40 -74.23 -48.64 27.53 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.122 -0.49 . . . . 63.219999999999999 110.853 -179.851 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 22' ' ' ALA . . . . . 0.429 ' O ' HD12 ' B' ' 26' ' ' LEU . . . -56.57 -30.94 63.73 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.173 -0.467 . . . . 73.310000000000002 111.153 179.872 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 23' ' ' ALA . . . . . . . . . . . . . . . -71.19 -54.44 10.98 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.161 -0.472 . . . . 73.549999999999997 111.043 179.978 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 24' ' ' LYS . . . . . . . . . . . . . 4.3 ptmt -62.17 -35.42 78.77 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.258 -0.428 . . . . 42.329999999999998 110.869 -179.989 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 25' ' ' LEU . . . . . 0.421 HD23 ' HA ' ' B' ' 25' ' ' LEU . 6.9 mt -76.82 -38.15 54.42 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.267 -0.424 . . . . 74.409999999999997 110.912 179.965 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 26' ' ' LEU . . . . . 0.483 HD13 ' HG3' ' B' ' 38' ' ' MET . 1.0 OUTLIER -50.18 -51.61 42.42 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.231 -0.44 . . . . 72.510000000000005 110.886 179.845 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' B' B ' 27' ' ' GLU . . . . . . . . . . . . . 1.6 pt-20 -81.31 -13.94 57.87 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.241 -0.436 . . . . 73.230000000000004 110.867 179.951 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 28' ' ' GLY . . . . . . . . . . . . . . . 53.14 26.15 27.3 Favored Glycine 0 N--CA 1.45 -0.376 0 C-N-CA 120.789 -0.72 . . . . 62.340000000000003 112.44 179.998 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 29' ' ' GLY . . . . . . . . . . . . . . . 92.23 42.24 4.67 Favored Glycine 0 N--CA 1.452 -0.288 0 C-N-CA 120.71 -0.757 . . . . 62.149999999999999 112.429 -179.978 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 30' ' ' GLY . . . . . . . . . . . . . . . -105.84 -110.4 3.49 Favored Glycine 0 N--CA 1.452 -0.281 0 C-N-CA 120.688 -0.767 . . . . 44.140000000000001 112.457 -179.904 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 31' ' ' GLY . . . . . . . . . . . . . . . 89.08 131.86 4.25 Favored Glycine 0 N--CA 1.452 -0.291 0 C-N-CA 120.76 -0.733 . . . . 53.109999999999999 112.44 -179.891 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 32' ' ' GLY . . . . . . . . . . . . . . . 63.19 76.37 0.28 Allowed Glycine 0 N--CA 1.452 -0.276 0 C-N-CA 120.705 -0.76 . . . . 72.420000000000002 112.453 -179.96 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 33' ' ' GLY . . . . . . . . . . . . . . . 99.74 -35.23 4.88 Favored Glycine 0 N--CA 1.451 -0.347 0 C-N-CA 120.773 -0.727 . . . . 63.530000000000001 112.56 -179.934 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 34' ' ' GLY . . . . . . . . . . . . . . . -105.98 -18.97 10.62 Favored Glycine 0 N--CA 1.451 -0.308 0 C-N-CA 120.738 -0.744 . . . . 61.130000000000003 112.436 -179.923 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 35' ' ' GLY . . . . . . . . . . . . . . . -160.22 25.41 0.3 Allowed Glycine 0 N--CA 1.451 -0.33 0 C-N-CA 120.662 -0.78 . . . . 73.420000000000002 112.434 -179.923 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 36' ' ' GLU . . . . . . . . . . . . . 21.4 tt0 -76.15 -21.46 56.55 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 120.872 0.368 . . . . 75.140000000000001 110.9 -179.895 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 37' ' ' LEU . . . . . . . . . . . . . 1.6 mt -71.45 -51.57 23.12 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.137 -0.483 . . . . 64.349999999999994 110.944 179.932 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 38' ' ' MET . . . . . 0.483 ' HG3' HD13 ' B' ' 26' ' ' LEU . 0.0 OUTLIER -54.97 -24.6 24.78 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.19 -0.459 . . . . 74.329999999999998 110.839 179.848 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' B' B ' 39' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -53.42 -28.81 31.85 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.273 -0.421 . . . . 71.239999999999995 110.882 179.982 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 40' ' ' LEU . . . . . . . . . . . . . 3.3 mt -74.08 -35.53 64.23 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.182 -0.463 . . . . 71.010000000000005 110.842 -179.994 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 41' ' ' CYS . . . . . 0.487 ' HB3' HD13 ' A' ' 51' ' ' LEU . 16.4 m -75.2 -33.6 61.43 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.212 -0.449 . . . . 61.210000000000001 110.832 -179.984 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 42' ' ' GLU . . . . . . . . . . . . . 70.5 tt0 -55.52 -25.94 40.25 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.24 -0.436 . . . . 65.25 110.871 -179.896 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 43' ' ' GLU . . . . . . . . . . . . . 3.8 mm-40 -54.96 -25.64 31.02 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.192 -0.458 . . . . 72.209999999999994 110.866 -179.938 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 44' ' ' ALA . . . . . . . . . . . . . . . -51.87 -43.66 63.38 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.146 -0.479 . . . . 55.340000000000003 111.119 179.971 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 45' ' ' ALA . . . . . 0.652 ' HB2' ' CB ' ' B' ' 19' ' ' ALA . . . -75.09 -22.89 57.99 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.263 -0.426 . . . . 64.430000000000007 111.055 179.95 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 46' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -70.19 -47.19 62.59 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.231 -0.441 . . . . 72.310000000000002 110.905 179.941 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 47' ' ' LYS . . . . . . . . . . . . . 4.8 mttm -58.28 -37.31 74.74 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.227 -0.442 . . . . 62.020000000000003 110.911 179.912 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 48' ' ' ALA . . . . . . . . . . . . . . . -56.53 -34.16 66.76 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.229 -0.442 . . . . 50.32 111.107 179.796 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 49' ' ' GLU . . . . . . . . . . . . . 17.2 tt0 -76.36 -31.33 58.0 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.167 -0.469 . . . . 71.209999999999994 110.897 -179.948 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 50' ' ' GLU . . . . . . . . . . . . . 1.8 mm-40 -65.56 -46.46 79.4 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.188 -0.46 . . . . 73.329999999999998 110.955 -179.968 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 51' ' ' LEU . . . . . 0.528 HD12 ' N ' ' B' ' 52' ' ' PHE . 4.6 pp -73.07 -29.81 63.22 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.081 -0.509 . . . . 53.109999999999999 110.912 179.982 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 52' ' ' PHE . . . . . 0.528 ' N ' HD12 ' B' ' 51' ' ' LEU . 89.1 t80 -65.2 -23.9 67.21 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.222 -0.444 . . . . 64.310000000000002 110.855 179.987 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 53' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -51.66 -58.83 5.25 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.136 -0.484 . . . . 74.129999999999995 110.933 179.959 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 54' ' ' LEU . . . . . . . . . . . . . 70.4 mt -75.11 -24.41 58.08 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.166 -0.47 . . . . 73.230000000000004 110.873 179.934 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 55' ' ' ALA . . . . . . . . . . . . . . . -58.04 -24.86 60.05 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.297 -0.411 . . . . 52.240000000000002 111.106 179.805 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 56' ' ' GLU . . . . . . . . . . . . . 3.3 mt-10 -75.81 -26.41 57.23 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.145 -0.479 . . . . 74.439999999999998 110.909 -179.969 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 57' ' ' GLU . . . . . . . . . . . . . 25.4 mm-40 -65.12 -49.65 69.12 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.154 -0.475 . . . . 75.219999999999999 110.936 -179.923 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 58' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -78.9 -17.94 54.7 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.226 -0.443 . . . . 53.219999999999999 110.834 -179.918 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 59' ' ' LEU . . . . . 0.985 HD13 ' HB2' ' B' ' 9' ' ' ALA . 20.5 mt -88.5 -74.99 0.44 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.177 -0.465 . . . . 74.510000000000005 110.947 -179.941 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 60' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -105.35 -175.41 2.79 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.158 -0.473 . . . . 74.209999999999994 110.908 179.795 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 61' ' ' LYS . . . . . . . . . . . . . 1.9 pttt -90.04 -31.42 17.18 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.24 -0.436 . . . . 72.239999999999995 110.877 179.853 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 62' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER . . . . . 0 C--N 1.328 -0.339 0 CA-C-N 116.267 -0.424 . . . . 64.420000000000002 110.827 179.885 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 101' ' ' HLT . . . . . 0.464 ' F2 ' ' HB2' ' A' ' 19' ' ' ALA . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 C--O 1.232 0.164 0 CA-C-O 120.854 0.359 . . . . 73.340000000000003 110.921 . . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 3.3 tptt -174.11 158.68 3.1 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.283 -0.417 . . . . 75.019999999999996 110.924 179.891 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 7.4 mttp -140.57 -40.72 0.41 Allowed 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.17 -0.468 . . . . 74.040000000000006 110.951 179.881 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 4.4 mm? -64.92 -47.28 78.31 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.194 -0.457 . . . . 75.129999999999995 110.877 179.921 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 3.8 mtp180 -72.2 -40.7 67.65 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.202 -0.453 . . . . 74.439999999999998 110.865 179.963 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 6' ' ' GLU . . . . . 0.533 ' CA ' HD13 ' A' ' 59' ' ' LEU . 5.0 tt0 -54.27 -29.39 46.91 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.177 -0.465 . . . . 64.329999999999998 110.901 -179.911 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 1.2 mm-40 -53.86 -45.97 71.12 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.081 -0.509 . . . . 70.030000000000001 110.86 -179.915 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -58.76 -28.23 65.7 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.141 -0.481 . . . . 75.430000000000007 111.112 179.948 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -74.25 -42.78 59.13 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.204 -0.453 . . . . 70.430000000000007 111.138 179.915 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 7.1 mtpt -58.3 -32.86 68.86 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.187 -0.46 . . . . 64.329999999999998 110.898 179.914 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 11' ' ' LEU . . . . . 0.41 HD12 HD23 ' B' ' 26' ' ' LEU . 72.9 mt -52.04 -43.32 63.69 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.227 -0.442 . . . . 71.310000000000002 110.923 179.937 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 12' ' ' PHE . . . . . 0.594 ' CE1' HD11 ' B' ' 26' ' ' LEU . 24.5 m-85 -74.19 -26.28 60.18 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.19 -0.459 . . . . 71.129999999999995 110.894 179.916 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 1.1 tt0 -59.51 -35.3 73.89 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.108 -0.496 . . . . 50.009999999999998 110.911 -179.957 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 4.9 mt-10 -74.93 -30.23 61.19 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.092 -0.504 . . . . 74.040000000000006 110.897 -179.906 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 15' ' ' TRP . . . . . . . . . . . . . 12.4 m0 -61.95 -50.73 70.96 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.154 -0.476 . . . . 73.319999999999993 110.882 -179.918 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -75.06 -24.73 58.26 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.198 -0.455 . . . . 73.040000000000006 110.918 179.903 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 8.5 mmtp -73.12 -56.77 4.66 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.242 -0.435 . . . . 62.210000000000001 110.859 179.917 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 12.1 mt -54.91 -39.45 68.79 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.237 -0.438 . . . . 75.140000000000001 110.891 179.95 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 19' ' ' ALA . . . . . 0.894 ' HB3' ' HB2' ' A' ' 45' ' ' ALA . . . -57.47 -23.18 48.33 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.174 -0.466 . . . . 74.510000000000005 111.107 179.784 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -73.19 -49.3 28.81 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.245 -0.434 . . . . 63.020000000000003 110.869 -179.896 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 1.4 mm-40 -73.53 -50.23 22.46 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.204 -0.453 . . . . 61.32 110.867 -179.918 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -54.85 -30.52 57.82 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.163 -0.471 . . . . 73.329999999999998 111.09 179.957 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -71.0 -54.22 12.0 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.2 -0.454 . . . . 73.219999999999999 111.103 179.944 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 4.9 ptpt -63.67 -34.29 77.53 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.237 -0.438 . . . . 74.340000000000003 110.919 179.976 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 25' ' ' LEU . . . . . 0.438 HD23 ' HA ' ' A' ' 25' ' ' LEU . 5.9 mt -76.66 -38.92 53.75 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.24 -0.436 . . . . 74.140000000000001 110.886 179.949 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 26' ' ' LEU . . . . . 0.568 HD11 ' CE1' ' B' ' 12' ' ' PHE . 4.9 mt -50.43 -51.91 42.43 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.174 -0.467 . . . . 74.400000000000006 110.939 179.854 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 9.6 mt-10 -78.99 -11.79 60.02 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.148 -0.478 . . . . 70.519999999999996 110.899 179.94 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . 64.29 20.58 65.43 Favored Glycine 0 N--CA 1.452 -0.283 0 C-N-CA 120.746 -0.74 . . . . 51.310000000000002 112.51 -179.933 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . 61.0 19.47 56.75 Favored Glycine 0 N--CA 1.452 -0.274 0 C-N-CA 120.718 -0.753 . . . . 75.310000000000002 112.513 -179.913 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . 141.62 55.45 0.04 OUTLIER Glycine 0 N--CA 1.452 -0.285 0 C-N-CA 120.787 -0.721 . . . . 61.240000000000002 112.497 -179.951 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . -156.24 175.61 33.88 Favored Glycine 0 N--CA 1.45 -0.381 0 C-N-CA 120.743 -0.742 . . . . 54.310000000000002 112.518 -179.907 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . 52.18 -152.53 6.61 Favored Glycine 0 N--CA 1.451 -0.31 0 C-N-CA 120.706 -0.759 . . . . 72.329999999999998 112.469 -179.975 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -64.2 -65.99 2.73 Favored Glycine 0 N--CA 1.451 -0.343 0 C-N-CA 120.764 -0.731 . . . . 32.32 112.546 -179.963 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 66.16 149.71 0.1 OUTLIER Glycine 0 N--CA 1.452 -0.28 0 C-N-CA 120.734 -0.746 . . . . 43.200000000000003 112.448 -179.936 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 129.31 -155.75 20.95 Favored Glycine 0 N--CA 1.451 -0.331 0 C-N-CA 120.697 -0.763 . . . . 21.23 112.476 -179.945 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 30.3 tt0 -64.34 -29.74 70.81 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.898 0.38 . . . . 73.519999999999996 110.86 -179.904 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 37' ' ' LEU . . . . . 0.541 HD13 HH12 ' B' ' 58' ' ' ARG . 2.1 pp -51.94 -35.4 45.79 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.138 -0.483 . . . . 72.209999999999994 110.922 -179.974 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 38' ' ' MET . . . . . . . . . . . . . 2.6 ttp -73.13 -35.2 66.48 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.173 -0.467 . . . . 73.219999999999999 110.883 179.903 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 29.4 tttt -53.9 -30.58 46.72 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.18 -0.463 . . . . 50.409999999999997 110.89 179.921 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -53.79 -57.7 9.91 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.235 -0.438 . . . . 73.109999999999999 110.891 179.932 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 41' ' ' CYS . . . . . . . . . . . . . 31.7 m -64.29 -35.21 80.12 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.245 -0.434 . . . . 75.109999999999999 110.879 179.917 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 28.7 tt0 -55.65 -26.28 43.64 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 116.224 -0.444 . . . . 74.109999999999999 110.927 -179.894 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 3.5 mm-40 -55.5 -26.16 41.25 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.097 -0.502 . . . . 65.040000000000006 110.892 -179.877 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -52.84 -45.51 67.37 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.188 -0.46 . . . . 51.009999999999998 111.101 179.95 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 45' ' ' ALA . . . . . 0.894 ' HB2' ' HB3' ' A' ' 19' ' ' ALA . . . -75.27 -23.12 57.39 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.254 -0.43 . . . . 53.299999999999997 111.096 179.965 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -74.93 -48.57 23.84 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.163 -0.472 . . . . 74.25 110.943 179.903 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 13.5 mttt -73.91 -51.28 16.64 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.212 -0.449 . . . . 71.340000000000003 110.873 179.884 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -52.55 -28.41 20.68 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.279 -0.419 . . . . 74.010000000000005 111.119 179.804 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 1.6 tt0 -77.19 -36.19 55.13 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.224 -0.444 . . . . 73.519999999999996 110.888 -179.93 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 2.5 mt-10 -74.78 -52.78 10.55 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.18 -0.464 . . . . 72.040000000000006 110.903 -179.971 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 51' ' ' LEU . . . . . 0.425 ' C ' HD12 ' A' ' 51' ' ' LEU . 4.6 pp -61.69 -19.54 62.46 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.116 -0.493 . . . . 71.099999999999994 110.855 -179.947 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 52' ' ' PHE . . . . . . . . . . . . . 18.7 t80 -52.35 -23.58 6.14 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.204 -0.453 . . . . 72.0 110.867 179.989 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 1.2 ptpm? -52.82 -40.16 63.06 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.213 -0.449 . . . . 72.209999999999994 110.923 179.963 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 54' ' ' LEU . . . . . . . . . . . . . 4.9 tp -55.52 -22.05 19.57 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.219 -0.446 . . . . 72.120000000000005 110.85 179.962 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -68.03 -24.64 65.12 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.247 -0.433 . . . . 65.239999999999995 111.156 179.783 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 56' ' ' GLU . . . . . 0.528 ' OE1' HD11 ' A' ' 62' ' ' LEU . 1.3 mt-10 -76.43 -27.07 56.1 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.197 -0.456 . . . . 64.420000000000002 110.836 -179.926 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 3.9 mm-40 -62.84 -49.66 74.03 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.195 -0.457 . . . . 70.420000000000002 110.883 -179.934 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 58' ' ' ARG . . . . . 0.548 HH12 HD13 ' B' ' 37' ' ' LEU . 0.0 OUTLIER -78.88 -18.9 53.16 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.192 -0.458 . . . . 74.450000000000003 110.833 -179.862 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 59' ' ' LEU . . . . . 0.533 HD13 ' CA ' ' A' ' 6' ' ' GLU . 23.5 tp -87.77 -77.54 0.34 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.154 -0.476 . . . . 70.25 110.956 179.944 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -101.12 -175.35 2.85 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.183 -0.462 . . . . 73.349999999999994 110.957 179.792 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -120.42 69.28 0.86 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.238 -0.437 . . . . 74.450000000000003 110.865 179.865 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 62' ' ' LEU . . . . . 0.528 HD11 ' OE1' ' A' ' 56' ' ' GLU . 71.5 mt . . . . . 0 C--N 1.328 -0.33 0 CA-C-N 116.286 -0.415 . . . . 71.040000000000006 110.948 179.887 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 1' ' ' MET . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 C--O 1.231 0.108 0 CA-C-O 120.838 0.352 . . . . 75.299999999999997 110.884 . . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 2' ' ' LYS . . . . . 0.625 ' HD3' HD11 ' B' ' 59' ' ' LEU . 0.0 OUTLIER -173.23 149.11 1.74 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.183 -0.462 . . . . 61.030000000000001 110.874 179.882 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' B' B ' 3' ' ' LYS . . . . . . . . . . . . . 7.7 mttp -171.65 -50.68 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.187 -0.46 . . . . 74.099999999999994 110.86 179.863 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 4' ' ' LEU . . . . . . . . . . . . . 4.2 mm? -94.45 -23.11 17.87 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.253 -0.43 . . . . 65.200000000000003 110.909 179.966 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 5' ' ' ARG . . . . . . . . . . . . . 3.1 mtp180 -65.41 -40.6 93.58 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.194 -0.457 . . . . 71.430000000000007 110.87 179.934 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 6' ' ' GLU . . . . . 0.585 ' CA ' HD13 ' B' ' 59' ' ' LEU . 4.9 tt0 -56.95 -33.05 66.63 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.13 -0.487 . . . . 65.239999999999995 110.91 -179.893 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 7' ' ' GLU . . . . . . . . . . . . . 1.2 mm-40 -53.96 -45.3 71.28 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.185 -0.461 . . . . 74.430000000000007 110.867 -179.96 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 8' ' ' ALA . . . . . . . . . . . . . . . -58.5 -27.14 64.19 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.169 -0.468 . . . . 71.329999999999998 111.07 179.969 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 9' ' ' ALA . . . . . . . . . . . . . . . -74.2 -42.58 59.58 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.248 -0.433 . . . . 62.310000000000002 111.114 179.929 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 10' ' ' LYS . . . . . . . . . . . . . 6.9 mtpt -60.3 -32.38 71.16 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.244 -0.434 . . . . 75.329999999999998 110.859 -179.994 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 11' ' ' LEU . . . . . . . . . . . . . 78.3 mt -51.88 -44.02 63.54 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.265 -0.425 . . . . 62.130000000000003 110.898 179.904 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 12' ' ' PHE . . . . . 0.568 ' CE1' HD11 ' A' ' 26' ' ' LEU . 23.7 m-85 -74.13 -26.0 60.08 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.193 -0.458 . . . . 73.109999999999999 110.883 179.959 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 13' ' ' GLU . . . . . . . . . . . . . 1.1 tt0 -59.45 -35.22 73.64 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.171 -0.468 . . . . 73.519999999999996 110.886 -179.93 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 14' ' ' GLU . . . . . . . . . . . . . 4.9 mt-10 -74.98 -30.23 61.12 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.13 -0.486 . . . . 61.009999999999998 110.899 -179.938 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 15' ' ' TRP . . . . . . . . . . . . . 12.2 m0 -61.75 -50.55 71.93 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 116.13 -0.487 . . . . 73.150000000000006 110.909 -179.979 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 16' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -75.57 -24.56 56.65 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.211 -0.449 . . . . 70.049999999999997 110.918 179.9 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 17' ' ' LYS . . . . . . . . . . . . . 8.6 mmtp -73.09 -56.56 4.94 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.247 -0.433 . . . . 75.409999999999997 110.909 179.821 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 18' ' ' LEU . . . . . . . . . . . . . 12.2 mt -54.77 -39.66 68.61 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.22 -0.446 . . . . 75.010000000000005 110.889 179.886 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 19' ' ' ALA . . . . . 0.92 ' HB3' ' HB2' ' B' ' 45' ' ' ALA . . . -57.62 -23.46 51.2 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.233 -0.44 . . . . 64.129999999999995 111.126 179.783 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 20' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -73.25 -49.44 27.75 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.211 -0.449 . . . . 74.209999999999994 110.91 -179.945 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 21' ' ' GLU . . . . . . . . . . . . . 1.4 mm-40 -73.6 -50.15 22.6 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.119 -0.491 . . . . 72.519999999999996 110.844 -179.88 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 22' ' ' ALA . . . . . . . . . . . . . . . -54.87 -30.38 57.73 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.182 -0.463 . . . . 63.240000000000002 111.111 179.946 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 23' ' ' ALA . . . . . . . . . . . . . . . -71.04 -54.32 11.6 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.211 -0.449 . . . . 51.299999999999997 111.049 179.899 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 24' ' ' LYS . . . . . . . . . . . . . 4.8 ptpt -63.6 -34.37 77.66 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.24 -0.436 . . . . 75.400000000000006 110.858 -179.972 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 25' ' ' LEU . . . . . . . . . . . . . 5.8 mt -76.61 -38.98 53.87 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.195 -0.457 . . . . 74.329999999999998 110.932 179.956 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 26' ' ' LEU . . . . . 0.594 HD11 ' CE1' ' A' ' 12' ' ' PHE . 4.9 mt -50.55 -51.8 44.71 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.198 -0.456 . . . . 72.230000000000004 110.893 179.891 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 27' ' ' GLU . . . . . . . . . . . . . 9.5 mt-10 -78.94 -11.82 60.01 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.229 -0.441 . . . . 63.310000000000002 110.88 179.904 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 28' ' ' GLY . . . . . . . . . . . . . . . 64.1 20.56 65.0 Favored Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.761 -0.733 . . . . 62.0 112.498 -179.96 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 29' ' ' GLY . . . . . . . . . . . . . . . 61.04 19.54 56.91 Favored Glycine 0 N--CA 1.45 -0.387 0 C-N-CA 120.774 -0.727 . . . . 73.049999999999997 112.528 -179.887 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 30' ' ' GLY . . . . . . . . . . . . . . . 141.62 55.33 0.04 OUTLIER Glycine 0 N--CA 1.45 -0.368 0 C-N-CA 120.82 -0.705 . . . . 51.32 112.538 -179.89 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 31' ' ' GLY . . . . . . . . . . . . . . . -156.41 175.55 34.03 Favored Glycine 0 N--CA 1.451 -0.325 0 C-N-CA 120.78 -0.724 . . . . 75.099999999999994 112.563 -179.925 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 32' ' ' GLY . . . . . . . . . . . . . . . 52.23 -152.43 6.77 Favored Glycine 0 N--CA 1.451 -0.343 0 C-N-CA 120.706 -0.759 . . . . 54.039999999999999 112.564 -179.849 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 33' ' ' GLY . . . . . . . . . . . . . . . -64.35 -65.92 2.75 Favored Glycine 0 N--CA 1.452 -0.275 0 C-N-CA 120.749 -0.739 . . . . 52.329999999999998 112.485 -179.986 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 34' ' ' GLY . . . . . . . . . . . . . . . 66.16 149.84 0.1 Allowed Glycine 0 N--CA 1.45 -0.38 0 C-N-CA 120.832 -0.699 . . . . 34.43 112.507 -179.888 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 35' ' ' GLY . . . . . . . . . . . . . . . 129.09 -155.87 20.94 Favored Glycine 0 N--CA 1.451 -0.315 0 C-N-CA 120.793 -0.718 . . . . 71.150000000000006 112.463 -179.899 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 36' ' ' GLU . . . . . . . . . . . . . 30.1 tt0 -64.23 -29.77 70.85 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.874 0.369 . . . . 74.319999999999993 110.872 -179.895 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 37' ' ' LEU . . . . . 0.548 HD13 HH12 ' A' ' 58' ' ' ARG . 2.2 pp -51.91 -35.4 45.39 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.181 -0.463 . . . . 74.120000000000005 110.863 -179.902 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 38' ' ' MET . . . . . . . . . . . . . 2.5 ttp -73.07 -35.44 66.67 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.219 -0.446 . . . . 72.120000000000005 110.939 179.782 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 39' ' ' LYS . . . . . . . . . . . . . 29.4 tttt -53.84 -30.88 47.27 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.191 -0.459 . . . . 72.209999999999994 110.866 179.969 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 40' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -53.82 -57.65 10.14 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.262 -0.426 . . . . 63.340000000000003 110.902 179.926 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 41' ' ' CYS . . . . . . . . . . . . . 31.0 m -64.31 -34.55 78.39 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.242 -0.435 . . . . 55.329999999999998 110.926 179.879 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 42' ' ' GLU . . . . . . . . . . . . . 28.5 tt0 -56.3 -26.03 50.66 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.175 -0.466 . . . . 70.120000000000005 110.873 -179.86 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 43' ' ' GLU . . . . . . . . . . . . . 3.5 mm-40 -55.31 -25.94 37.53 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.131 -0.486 . . . . 71.040000000000006 110.901 -179.958 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 44' ' ' ALA . . . . . . . . . . . . . . . -52.79 -45.76 67.32 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.169 -0.469 . . . . 54.329999999999998 111.069 179.884 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 45' ' ' ALA . . . . . 0.92 ' HB2' ' HB3' ' B' ' 19' ' ' ALA . . . -75.08 -22.85 58.04 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.218 -0.446 . . . . 72.329999999999998 111.055 -180.0 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 46' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -75.36 -48.85 21.11 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.26 -0.427 . . . . 74.340000000000003 110.942 179.956 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 47' ' ' LYS . . . . . . . . . . . . . 13.9 mttt -73.74 -51.69 15.68 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.153 -0.476 . . . . 64.299999999999997 110.927 179.78 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 48' ' ' ALA . . . . . . . . . . . . . . . -52.66 -28.27 20.86 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.228 -0.442 . . . . 74.019999999999996 111.093 179.841 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 49' ' ' GLU . . . . . . . . . . . . . 1.6 tt0 -77.19 -36.85 54.64 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.187 -0.46 . . . . 74.25 110.826 -179.877 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 50' ' ' GLU . . . . . . . . . . . . . 2.5 mt-10 -74.74 -52.85 10.41 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.198 -0.456 . . . . 71.530000000000001 110.904 -179.943 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 51' ' ' LEU . . . . . 0.423 ' C ' HD12 ' B' ' 51' ' ' LEU . 4.6 pp -61.71 -19.62 62.6 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.22 -0.445 . . . . 73.319999999999993 110.917 179.985 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 52' ' ' PHE . . . . . . . . . . . . . 18.6 t80 -52.23 -23.63 5.95 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.202 -0.454 . . . . 71.140000000000001 110.875 179.893 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 53' ' ' LYS . . . . . . . . . . . . . 1.2 ptpm? -52.64 -40.43 62.79 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.176 -0.465 . . . . 62.299999999999997 110.923 179.946 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 54' ' ' LEU . . . . . . . . . . . . . 4.9 tp -55.44 -22.02 18.59 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.181 -0.463 . . . . 65.239999999999995 110.921 179.928 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 55' ' ' ALA . . . . . . . . . . . . . . . -68.14 -24.71 65.03 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.162 -0.472 . . . . 74.420000000000002 111.068 179.781 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 56' ' ' GLU . . . . . 0.546 ' OE1' HD11 ' B' ' 62' ' ' LEU . 1.3 mt-10 -76.36 -26.96 56.23 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.232 -0.44 . . . . 73.400000000000006 110.869 -179.868 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 57' ' ' GLU . . . . . . . . . . . . . 3.9 mm-40 -63.05 -49.69 73.56 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.136 -0.484 . . . . 65.530000000000001 110.914 -179.927 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 58' ' ' ARG . . . . . 0.541 HH12 HD13 ' A' ' 37' ' ' LEU . 0.0 OUTLIER -78.72 -18.84 53.67 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.106 -0.497 . . . . 74.439999999999998 110.854 -179.91 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' B' B ' 59' ' ' LEU . . . . . 0.625 HD11 ' HD3' ' B' ' 2' ' ' LYS . 20.3 tp -87.97 -77.57 0.35 Allowed 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.215 -0.448 . . . . 62.549999999999997 110.934 -179.936 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 60' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -101.15 -175.28 2.82 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.254 -0.43 . . . . 72.409999999999997 110.911 179.779 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 61' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -119.95 69.07 0.84 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.243 -0.435 . . . . 75.25 110.954 179.862 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 62' ' ' LEU . . . . . 0.546 HD11 ' OE1' ' B' ' 56' ' ' GLU . 71.6 mt . . . . . 0 C--N 1.329 -0.285 0 CA-C-N 116.168 -0.469 . . . . 74.439999999999998 110.977 179.954 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 101' ' ' HLT . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 6.2 mtm . . . . . 0 C--O 1.232 0.137 0 CA-C-O 120.789 0.328 . . . . 74.129999999999995 110.847 . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 15.3 ptmt -94.85 -166.57 1.49 Allowed 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.263 -0.426 . . . . 71.200000000000003 110.854 179.963 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER 180.0 -52.32 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.195 -0.457 . . . . 72.129999999999995 110.854 179.878 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER 176.81 -31.85 0.0 OUTLIER 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.286 -0.416 . . . . 73.239999999999995 110.895 179.923 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -70.6 -23.67 62.61 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.234 -0.439 . . . . 71.150000000000006 110.884 179.975 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 6' ' ' GLU . . . . . 0.51 ' CA ' HD13 ' A' ' 59' ' ' LEU . 0.0 OUTLIER -54.22 -32.67 56.44 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.172 -0.467 . . . . 74.319999999999993 110.877 -179.937 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 8.3 mm-40 -55.15 -53.84 50.88 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.167 -0.47 . . . . 65.310000000000002 110.866 -179.936 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -53.46 -27.95 27.79 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.173 -0.467 . . . . 61.25 111.109 179.977 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 9' ' ' ALA . . . . . 0.477 ' HB3' ' O ' ' A' ' 6' ' ' GLU . . . -66.94 -40.54 87.6 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.193 -0.458 . . . . 62.340000000000003 111.115 179.923 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 8.8 mtmt -62.68 -32.65 73.76 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.223 -0.444 . . . . 65.349999999999994 110.935 179.947 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 59.5 mt -51.99 -44.55 64.13 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.207 -0.451 . . . . 60.140000000000001 110.885 179.92 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 12' ' ' PHE . . . . . 0.514 ' CE1' HD13 ' A' ' 51' ' ' LEU . 28.0 m-85 -73.99 -24.42 59.6 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.161 -0.472 . . . . 62.009999999999998 110.939 179.946 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -57.75 -39.01 76.38 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 116.113 -0.494 . . . . 70.409999999999997 110.88 -179.936 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 10.0 mt-10 -75.09 -34.31 61.73 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.228 -0.442 . . . . 74.230000000000004 110.953 179.997 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 15' ' ' TRP . . . . . 0.547 ' CZ3' ' HB2' ' B' ' 44' ' ' ALA . 23.2 m0 -53.9 -48.46 70.1 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.14 -0.482 . . . . 74.519999999999996 110.928 -179.974 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -77.15 -24.21 51.58 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.258 -0.428 . . . . 74.5 110.943 179.852 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -70.26 -47.08 62.91 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.209 -0.45 . . . . 32.43 110.928 179.851 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 3.6 mt -55.81 -32.79 63.86 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.192 -0.458 . . . . 75.120000000000005 110.899 179.907 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -69.96 -20.96 63.3 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.216 -0.447 . . . . 70.150000000000006 111.134 179.801 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 69.5 mt-10 -67.28 -49.24 65.08 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.18 -0.464 . . . . 70.409999999999997 110.9 -179.901 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 2.4 mm-40 -71.37 -32.14 68.14 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.117 -0.492 . . . . 43.039999999999999 110.923 -179.969 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -76.05 -32.94 59.56 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.128 -0.487 . . . . 70.409999999999997 111.116 179.904 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -70.95 -50.63 32.41 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.219 -0.446 . . . . 74.219999999999999 111.135 179.925 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -61.93 -37.54 85.09 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.265 -0.425 . . . . 43.130000000000003 110.945 179.925 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 12.6 mt -76.62 -38.91 53.95 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.238 -0.437 . . . . 72.409999999999997 110.899 179.899 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 2.4 mt -50.67 -43.33 57.42 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.125 -0.489 . . . . 63.420000000000002 110.915 179.957 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 9.0 mt-10 -101.61 12.83 36.54 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.181 -0.463 . . . . 73.439999999999998 110.915 179.943 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . -56.22 -17.53 17.91 Favored Glycine 0 N--CA 1.452 -0.297 0 C-N-CA 120.779 -0.724 . . . . 70.219999999999999 112.467 -179.968 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . 145.37 38.89 0.05 OUTLIER Glycine 0 N--CA 1.452 -0.262 0 C-N-CA 120.704 -0.76 . . . . 74.049999999999997 112.476 -179.866 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . -137.91 -67.06 0.05 OUTLIER Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.701 -0.762 . . . . 73.099999999999994 112.479 -179.959 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . 119.88 -54.71 0.64 Allowed Glycine 0 N--CA 1.451 -0.357 0 C-N-CA 120.755 -0.736 . . . . 52.310000000000002 112.494 -179.927 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . 52.11 -171.71 0.36 Allowed Glycine 0 N--CA 1.452 -0.297 0 C-N-CA 120.71 -0.757 . . . . 63.030000000000001 112.487 -179.951 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . 117.48 -90.09 0.5 Allowed Glycine 0 N--CA 1.451 -0.34 0 C-N-CA 120.745 -0.741 . . . . 50.509999999999998 112.484 -179.92 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 65.8 20.35 68.32 Favored Glycine 0 N--CA 1.452 -0.289 0 C-N-CA 120.749 -0.739 . . . . 71.219999999999999 112.441 -179.911 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 147.98 -145.04 13.15 Favored Glycine 0 N--CA 1.451 -0.3 0 C-N-CA 120.731 -0.747 . . . . 71.239999999999995 112.47 -179.956 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 1.8 pt-20 -74.91 -10.66 59.7 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.94 0.4 . . . . 71.400000000000006 110.907 -179.875 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 37' ' ' LEU . . . . . 0.62 HD13 ' CB ' ' B' ' 54' ' ' LEU . 0.3 OUTLIER -50.84 -52.66 39.26 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.112 -0.495 . . . . 75.5 110.896 -179.922 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 38' ' ' MET . . . . . . . . . . . . . 43.9 ttm -53.0 -42.04 65.21 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.14 -0.482 . . . . 55.340000000000003 110.891 179.848 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -69.36 -27.95 65.78 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.224 -0.444 . . . . 64.519999999999996 110.92 179.939 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 40' ' ' LEU . . . . . 0.56 HD22 ' HD3' ' B' ' 47' ' ' LYS . 27.0 mt -74.01 -30.75 62.61 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.202 -0.454 . . . . 70.530000000000001 110.962 179.896 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 41' ' ' CYS . . . . . . . . . . . . . 48.4 m -62.22 -35.27 78.39 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.17 -0.468 . . . . 71.540000000000006 110.822 179.95 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -72.69 -30.25 64.08 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.191 -0.458 . . . . 75.120000000000005 110.883 -179.806 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 3.8 mm-40 -59.24 -33.9 71.57 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 116.117 -0.492 . . . . 75.409999999999997 110.95 -179.974 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 44' ' ' ALA . . . . . 0.481 ' HB2' ' CZ3' ' B' ' 15' ' ' TRP . . . -51.6 -42.54 62.02 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.116 -0.493 . . . . 71.510000000000005 111.142 179.911 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -75.18 -22.97 57.65 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.182 -0.463 . . . . 71.239999999999995 111.052 -179.998 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -77.92 -46.74 20.4 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.208 -0.451 . . . . 70.310000000000002 110.853 -179.958 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 36.6 mmtm -61.85 -53.79 51.05 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.234 -0.439 . . . . 74.019999999999996 110.86 179.86 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 48' ' ' ALA . . . . . 0.465 ' HA ' HD12 ' A' ' 51' ' ' LEU . . . -58.05 -49.73 75.87 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.283 -0.417 . . . . 70.200000000000003 111.128 179.87 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 4.3 tp10 -58.76 -37.63 76.67 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.25 -0.432 . . . . 74.010000000000005 110.924 -179.98 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -73.92 -33.49 63.98 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.123 -0.49 . . . . 71.349999999999994 110.841 -179.895 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 51' ' ' LEU . . . . . 0.514 HD13 ' CE1' ' A' ' 12' ' ' PHE . 6.0 mt -72.98 -45.11 59.81 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.218 -0.446 . . . . 70.239999999999995 110.898 -179.966 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 52' ' ' PHE . . . . . . . . . . . . . 21.2 t80 -54.34 -29.76 49.17 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.164 -0.471 . . . . 65.219999999999999 110.879 179.925 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 23.6 mmtt -61.58 -44.69 96.55 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.146 -0.479 . . . . 65.349999999999994 110.912 -179.989 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 54' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -68.71 -27.29 65.82 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.246 -0.434 . . . . 50.43 110.9 179.936 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -53.35 -27.63 24.64 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.262 -0.426 . . . . 70.519999999999996 111.078 179.803 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 6.0 tt0 -64.9 -45.7 84.82 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.218 -0.446 . . . . 73.510000000000005 110.865 -179.916 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 24.9 tt0 -66.56 -37.92 85.97 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.166 -0.47 . . . . 61.329999999999998 110.917 -179.974 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 3.2 mtp85 -78.01 -19.37 54.55 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.176 -0.466 . . . . 74.019999999999996 110.825 -179.898 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 59' ' ' LEU . . . . . 0.51 HD13 ' CA ' ' A' ' 6' ' ' GLU . 26.4 tp -99.8 -78.8 0.5 Allowed 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.213 -0.449 . . . . 74.319999999999993 110.922 -179.99 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -95.22 -174.22 3.15 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.245 -0.434 . . . . 72.439999999999998 110.943 179.826 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -99.08 86.72 3.51 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.265 -0.425 . . . . 75.329999999999998 110.949 179.829 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 1.5 tt . . . . . 0 C--N 1.328 -0.35 0 CA-C-N 116.215 -0.448 . . . . 74.010000000000005 110.939 179.907 . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' B' B ' 1' ' ' MET . . . . . . . . . . . . . 6.2 mtm . . . . . 0 C--O 1.231 0.103 0 CA-C-O 120.866 0.365 . . . . 64.349999999999994 110.843 . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' B' B ' 2' ' ' LYS . . . . . 0.514 ' HA ' HD11 ' B' ' 59' ' ' LEU . 15.3 ptmt -95.16 -166.48 1.47 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.185 -0.461 . . . . 71.209999999999994 110.894 179.94 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 3' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -179.82 -52.42 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.254 -0.43 . . . . 73.010000000000005 110.855 179.849 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 4' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER 176.98 -32.05 0.0 OUTLIER 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.2 -0.455 . . . . 71.120000000000005 110.904 179.908 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 5' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -70.22 -24.06 63.04 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.156 -0.475 . . . . 74.099999999999994 110.916 179.895 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 6' ' ' GLU . . . . . 0.463 ' O ' ' HB3' ' B' ' 9' ' ' ALA . 0.0 OUTLIER -54.12 -32.95 56.54 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.165 -0.47 . . . . 73.439999999999998 110.873 -179.919 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' B' B ' 7' ' ' GLU . . . . . . . . . . . . . 8.1 mm-40 -55.55 -54.12 48.0 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.149 -0.478 . . . . 63.32 110.946 -179.945 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 8' ' ' ALA . . . . . . . . . . . . . . . -53.48 -27.99 28.21 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.113 -0.494 . . . . 45.310000000000002 111.079 179.911 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 9' ' ' ALA . . . . . 0.463 ' HB3' ' O ' ' B' ' 6' ' ' GLU . . . -67.36 -41.36 85.24 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.267 -0.424 . . . . 72.340000000000003 111.053 179.933 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 10' ' ' LYS . . . . . . . . . . . . . 9.0 mtmt -63.28 -32.37 73.76 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.256 -0.429 . . . . 54.130000000000003 110.923 179.978 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 11' ' ' LEU . . . . . . . . . . . . . 60.8 mt -51.87 -44.52 63.73 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.243 -0.435 . . . . 71.540000000000006 110.916 179.913 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 12' ' ' PHE . . . . . 0.649 ' CE1' HD13 ' B' ' 51' ' ' LEU . 28.1 m-85 -73.95 -25.12 59.78 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.144 -0.48 . . . . 73.319999999999993 110.906 179.937 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 13' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -57.34 -39.36 75.76 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.17 -0.468 . . . . 74.409999999999997 110.859 -179.937 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 14' ' ' GLU . . . . . . . . . . . . . 10.4 mt-10 -75.13 -34.31 61.65 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.127 -0.488 . . . . 70.109999999999999 110.847 -179.87 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 15' ' ' TRP . . . . . 0.481 ' CZ3' ' HB2' ' A' ' 44' ' ' ALA . 20.9 m0 -53.88 -48.18 70.34 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.207 -0.451 . . . . 63.210000000000001 110.9 -179.957 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 16' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -76.97 -24.78 52.29 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.248 -0.433 . . . . 74.400000000000006 110.909 179.939 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 17' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -70.98 -45.37 64.16 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.2 -0.455 . . . . 72.209999999999994 110.918 179.889 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 18' ' ' LEU . . . . . . . . . . . . . 3.5 mt -54.66 -26.62 34.38 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.161 -0.472 . . . . 72.329999999999998 110.961 179.836 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 19' ' ' ALA . . . . . . . . . . . . . . . -62.86 -30.26 71.37 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.203 -0.453 . . . . 62.409999999999997 111.09 179.841 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 20' ' ' GLU . . . . . . . . . . . . . 65.3 mt-10 -66.98 -49.38 65.55 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.179 -0.464 . . . . 72.409999999999997 110.887 -179.917 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 21' ' ' GLU . . . . . . . . . . . . . 2.4 mm-40 -74.14 -30.96 62.54 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.188 -0.46 . . . . 64.329999999999998 110.913 -179.931 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 22' ' ' ALA . . . . . . . . . . . . . . . -75.87 -30.77 58.97 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.116 -0.493 . . . . 72.519999999999996 111.116 179.928 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 23' ' ' ALA . . . . . . . . . . . . . . . -70.93 -51.96 22.85 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.152 -0.476 . . . . 75.010000000000005 111.01 179.976 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 24' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -62.04 -37.26 84.27 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.271 -0.422 . . . . 54.219999999999999 110.918 -179.99 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 25' ' ' LEU . . . . . 0.409 ' HA ' HD23 ' B' ' 25' ' ' LEU . 12.5 mt -76.82 -36.74 56.68 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.145 -0.48 . . . . 74.140000000000001 110.864 179.947 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 26' ' ' LEU . . . . . . . . . . . . . 2.0 mt -50.49 -47.49 57.16 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.151 -0.477 . . . . 74.519999999999996 110.97 179.919 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 27' ' ' GLU . . . . . . . . . . . . . 9.2 mt-10 -96.81 12.3 32.59 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.161 -0.472 . . . . 75.129999999999995 110.925 179.883 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 28' ' ' GLY . . . . . . . . . . . . . . . -59.8 -13.96 27.78 Favored Glycine 0 N--CA 1.451 -0.326 0 C-N-CA 120.782 -0.723 . . . . 33.240000000000002 112.487 -179.996 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 29' ' ' GLY . . . . . . . . . . . . . . . 145.5 50.1 0.03 OUTLIER Glycine 0 N--CA 1.452 -0.288 0 C-N-CA 120.696 -0.764 . . . . 74.230000000000004 112.482 -179.873 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 30' ' ' GLY . . . . . . . . . . . . . . . -114.02 -29.6 2.76 Favored Glycine 0 N--CA 1.451 -0.325 0 C-N-CA 120.682 -0.77 . . . . 75.219999999999999 112.502 -179.919 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 31' ' ' GLY . . . . . . . . . . . . . . . 157.51 -32.61 0.53 Allowed Glycine 0 N--CA 1.451 -0.339 0 C-N-CA 120.723 -0.751 . . . . 33.140000000000001 112.482 -179.982 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 32' ' ' GLY . . . . . . . . . . . . . . . 71.93 -134.72 22.16 Favored Glycine 0 N--CA 1.451 -0.316 0 C-N-CA 120.801 -0.714 . . . . 63.350000000000001 112.473 -179.879 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 33' ' ' GLY . . . . . . . . . . . . . . . 155.46 -69.02 0.29 Allowed Glycine 0 N--CA 1.451 -0.357 0 C-N-CA 120.768 -0.73 . . . . 54.130000000000003 112.506 -179.923 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 34' ' ' GLY . . . . . . . . . . . . . . . 85.28 56.09 2.48 Favored Glycine 0 N--CA 1.451 -0.301 0 C-N-CA 120.672 -0.775 . . . . 71.409999999999997 112.445 -179.938 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 35' ' ' GLY . . . . . . . . . . . . . . . -177.75 -138.39 3.04 Favored Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 120.76 -0.734 . . . . 74.209999999999994 112.556 -179.915 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 36' ' ' GLU . . . . . . . . . . . . . 1.6 pt-20 -65.96 -15.4 62.96 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-O 120.972 0.415 . . . . 74.010000000000005 110.928 -179.912 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 37' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -53.35 -59.13 4.97 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.165 -0.47 . . . . 75.129999999999995 110.92 -179.988 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 38' ' ' MET . . . . . . . . . . . . . 47.4 ttm -68.36 -30.07 68.93 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.206 -0.452 . . . . 71.439999999999998 110.919 179.792 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 39' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -57.13 -30.63 64.57 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.197 -0.456 . . . . 74.109999999999999 110.926 179.911 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 40' ' ' LEU . . . . . . . . . . . . . 27.0 mt -71.69 -42.88 66.89 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.24 -0.436 . . . . 74.019999999999996 110.909 179.96 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 41' ' ' CYS . . . . . . . . . . . . . 32.0 m -74.94 -29.33 60.91 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.195 -0.457 . . . . 50.219999999999999 110.936 179.873 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 42' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -66.37 -25.71 66.92 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.154 -0.476 . . . . 62.240000000000002 110.876 -179.827 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 43' ' ' GLU . . . . . . . . . . . . . 3.6 mm-40 -54.75 -34.63 62.8 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.092 -0.504 . . . . 75.319999999999993 110.859 -179.93 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 44' ' ' ALA . . . . . 0.547 ' HB2' ' CZ3' ' A' ' 15' ' ' TRP . . . -51.91 -42.0 62.4 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.145 -0.48 . . . . 44.409999999999997 111.068 -179.972 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 45' ' ' ALA . . . . . . . . . . . . . . . -75.18 -22.9 57.72 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.222 -0.444 . . . . 70.019999999999996 111.135 179.939 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 46' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -74.44 -45.7 44.76 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.177 -0.465 . . . . 74.310000000000002 110.858 179.968 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 47' ' ' LYS . . . . . 0.56 ' HD3' HD22 ' A' ' 40' ' ' LEU . 37.1 mmtm -60.87 -53.67 54.51 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.219 -0.446 . . . . 65.439999999999998 110.954 179.86 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 48' ' ' ALA . . . . . 0.681 ' HA ' HD12 ' B' ' 51' ' ' LEU . . . -59.0 -49.12 79.12 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.188 -0.46 . . . . 63.030000000000001 111.102 179.824 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 49' ' ' GLU . . . . . . . . . . . . . 4.2 tp10 -57.9 -37.15 73.48 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.202 -0.454 . . . . 72.040000000000006 110.839 -179.953 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 50' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -73.77 -32.23 63.69 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.221 -0.445 . . . . 51.350000000000001 110.908 -179.88 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 51' ' ' LEU . . . . . 0.681 HD12 ' HA ' ' B' ' 48' ' ' ALA . 5.6 mt -72.41 -43.93 63.18 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.124 -0.489 . . . . 60.140000000000001 110.969 179.994 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 52' ' ' PHE . . . . . 0.434 ' O ' ' HB3' ' B' ' 55' ' ' ALA . 20.9 t80 -54.12 -28.13 37.7 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.179 -0.464 . . . . 72.150000000000006 110.852 179.922 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 53' ' ' LYS . . . . . . . . . . . . . 23.6 mmtt -59.92 -44.76 94.12 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.253 -0.43 . . . . 60.539999999999999 110.846 179.936 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 54' ' ' LEU . . . . . 0.62 ' CB ' HD13 ' A' ' 37' ' ' LEU . 0.3 OUTLIER -68.69 -25.85 65.0 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.25 -0.432 . . . . 75.129999999999995 110.976 179.93 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' B' B ' 55' ' ' ALA . . . . . 0.442 ' HB1' ' HB2' ' B' ' 9' ' ' ALA . . . -53.22 -27.66 23.08 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.131 -0.486 . . . . 54.329999999999998 111.128 179.75 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 56' ' ' GLU . . . . . . . . . . . . . 6.0 tt0 -64.56 -45.95 84.86 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.181 -0.463 . . . . 73.409999999999997 110.906 -179.939 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 57' ' ' GLU . . . . . . . . . . . . . 25.0 tt0 -66.47 -37.83 85.98 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.124 -0.489 . . . . 63.43 110.879 -179.898 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 58' ' ' ARG . . . . . . . . . . . . . 3.1 mtp85 -78.08 -19.16 54.74 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.179 -0.464 . . . . 65.450000000000003 110.861 -179.916 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 59' ' ' LEU . . . . . 0.514 HD11 ' HA ' ' B' ' 2' ' ' LYS . 28.6 tp -100.06 -78.73 0.51 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.188 -0.46 . . . . 65.409999999999997 110.96 -179.961 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 60' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -95.23 -174.18 3.14 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.188 -0.46 . . . . 71.120000000000005 110.905 179.784 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 61' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -98.98 86.82 3.55 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 116.192 -0.458 . . . . 72.010000000000005 110.89 179.878 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 62' ' ' LEU . . . . . . . . . . . . . 1.5 tt . . . . . 0 C--N 1.328 -0.357 0 CA-C-N 116.188 -0.46 . . . . 73.319999999999993 110.9 179.905 . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' A' A ' 101' ' ' HLT . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 3.7 ptt? . . . . . 0 C--O 1.232 0.145 0 CA-C-O 120.862 0.363 . . . . 74.450000000000003 110.836 . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -51.83 140.52 19.3 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.269 -0.423 . . . . 71.120000000000005 110.926 179.918 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -119.53 -30.12 4.92 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.255 -0.43 . . . . 62.299999999999997 110.935 179.87 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -176.45 -31.7 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.176 -0.465 . . . . 72.129999999999995 110.914 179.896 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 37.1 mtt180 -51.4 -27.58 10.41 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.241 -0.436 . . . . 64.209999999999994 110.828 179.965 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -52.53 -26.62 13.69 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.277 -0.42 . . . . 74.25 110.878 -179.921 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 1.5 mm-40 -53.04 -36.08 60.18 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.177 -0.465 . . . . 74.340000000000003 110.866 -179.924 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -76.24 -26.98 56.56 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.108 -0.496 . . . . 72.310000000000002 111.067 179.988 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 9' ' ' ALA . . . . . 0.749 ' HB2' HD13 ' A' ' 59' ' ' LEU . . . -60.82 -41.0 94.86 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.3 -0.409 . . . . 71.319999999999993 111.084 179.926 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 17.2 mtpt -55.8 -34.36 65.25 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.263 -0.426 . . . . 64.239999999999995 110.909 179.94 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 33.7 mt -52.2 -42.91 63.9 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.237 -0.438 . . . . 64.430000000000007 110.907 179.921 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 22.8 m-85 -73.99 -26.32 60.4 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.181 -0.463 . . . . 71.109999999999999 110.926 179.937 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -62.25 -48.49 79.69 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.127 -0.488 . . . . 64.519999999999996 110.977 -179.991 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 6.2 mt-10 -75.08 -27.59 59.99 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.132 -0.485 . . . . 73.099999999999994 110.857 -179.946 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 15' ' ' TRP . . . . . . . . . . . . . 0.0 OUTLIER -56.33 -55.74 29.73 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.181 -0.463 . . . . 62.43 110.904 -179.94 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 2.8 ptmt -68.92 -22.33 64.16 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.223 -0.444 . . . . 74.519999999999996 110.993 179.901 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 1.9 tttt -75.03 -43.97 50.58 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.154 -0.476 . . . . 64.540000000000006 110.908 179.834 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 3.6 mt -57.2 -23.96 51.27 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.236 -0.438 . . . . 74.540000000000006 110.895 179.941 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -72.07 -10.05 59.24 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.237 -0.438 . . . . 73.209999999999994 111.084 179.836 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 1.4 tp10 -68.77 -49.54 57.82 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.162 -0.472 . . . . 65.329999999999998 110.89 -179.908 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -53.52 -34.2 57.27 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.193 -0.458 . . . . 73.349999999999994 110.857 -179.893 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 22' ' ' ALA . . . . . 0.458 ' O ' HD12 ' A' ' 26' ' ' LEU . . . -77.42 -31.74 54.2 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.141 -0.481 . . . . 65.439999999999998 111.062 179.952 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -72.1 -46.04 58.31 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.187 -0.461 . . . . 73.409999999999997 111.155 179.941 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -67.65 -36.76 81.35 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.222 -0.445 . . . . 73.25 110.828 -179.978 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 25' ' ' LEU . . . . . 0.419 ' HA ' HD23 ' A' ' 25' ' ' LEU . 13.0 mt -76.77 -38.32 54.29 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.248 -0.433 . . . . 75.450000000000003 110.91 179.957 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 26' ' ' LEU . . . . . 0.458 HD12 ' O ' ' A' ' 22' ' ' ALA . 1.3 mt -50.45 -45.91 56.29 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.169 -0.469 . . . . 74.329999999999998 110.87 179.943 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 1.1 mt-10 -98.96 12.38 36.1 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.187 -0.461 . . . . 74.319999999999993 110.873 179.939 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . -59.47 -14.26 26.8 Favored Glycine 0 N--CA 1.451 -0.32 0 C-N-CA 120.769 -0.729 . . . . 70.340000000000003 112.532 179.976 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . 137.43 43.56 0.09 OUTLIER Glycine 0 N--CA 1.451 -0.356 0 C-N-CA 120.742 -0.742 . . . . 53.149999999999999 112.485 -179.94 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . -171.04 57.9 0.18 Allowed Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 120.777 -0.725 . . . . 75.219999999999999 112.495 -179.914 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . -174.49 -120.64 0.59 Allowed Glycine 0 N--CA 1.451 -0.304 0 C-N-CA 120.807 -0.711 . . . . 73.040000000000006 112.474 -179.907 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . 59.8 29.01 66.61 Favored Glycine 0 N--CA 1.452 -0.286 0 C-N-CA 120.706 -0.759 . . . . 73.230000000000004 112.493 -179.89 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -78.07 58.88 3.95 Favored Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 120.774 -0.727 . . . . 72.420000000000002 112.518 -179.906 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 95.1 -19.23 55.15 Favored Glycine 0 N--CA 1.451 -0.302 0 C-N-CA 120.726 -0.75 . . . . 60.539999999999999 112.49 -179.899 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 97.14 -18.81 56.84 Favored Glycine 0 N--CA 1.452 -0.258 0 C-N-CA 120.775 -0.726 . . . . 71.420000000000002 112.501 -179.862 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 35.8 tt0 -56.31 -35.58 67.72 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-O 120.932 0.396 . . . . 71.010000000000005 110.918 -179.843 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 30.5 tp -56.93 -47.97 79.36 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.118 -0.492 . . . . 64.239999999999995 110.97 179.985 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 38' ' ' MET . . . . . . . . . . . . . 19.2 ttm -66.79 -31.25 71.77 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.132 -0.485 . . . . 61.310000000000002 110.878 179.816 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 9.4 tttt -61.09 -27.93 68.72 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.208 -0.451 . . . . 75.420000000000002 110.896 179.956 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 40' ' ' LEU . . . . . 0.778 ' HB3' HD22 ' B' ' 51' ' ' LEU . 32.4 mt -67.6 -60.12 2.8 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.189 -0.459 . . . . 53.329999999999998 110.942 179.899 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 41' ' ' CYS . . . . . . . . . . . . . 16.0 p -60.66 -25.42 66.33 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.152 -0.476 . . . . 63.109999999999999 110.941 179.912 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 59.5 tt0 -61.78 -25.05 67.24 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.114 -0.494 . . . . 54.039999999999999 110.912 -179.885 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 2.1 mm-40 -54.48 -36.37 64.08 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.175 -0.466 . . . . 72.409999999999997 110.892 -179.984 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 44' ' ' ALA . . . . . 0.514 ' HB2' ' CZ2' ' B' ' 15' ' ' TRP . . . -51.31 -45.25 62.15 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.23 -0.441 . . . . 73.319999999999993 111.051 179.953 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -75.36 -22.65 57.38 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.2 -0.455 . . . . 61.43 111.14 179.909 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -76.09 -49.83 16.36 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.19 -0.459 . . . . 75.099999999999994 110.897 -179.962 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 10.6 mmpt? -65.86 -39.54 90.83 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.167 -0.469 . . . . 73.450000000000003 110.867 179.904 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -67.84 -45.84 73.5 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.288 -0.414 . . . . 72.349999999999994 111.05 179.839 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 4.6 tp10 -72.15 -27.96 62.93 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.2 -0.455 . . . . 74.530000000000001 110.849 -179.881 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 6.3 tt0 -71.23 -49.87 38.84 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.25 -0.432 . . . . 72.230000000000004 110.86 -179.958 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 51' ' ' LEU . . . . . 0.479 HD12 ' N ' ' A' ' 52' ' ' PHE . 4.4 pp -72.67 -33.64 66.68 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.228 -0.442 . . . . 72.129999999999995 110.963 179.982 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 52' ' ' PHE . . . . . 0.479 ' N ' HD12 ' A' ' 51' ' ' LEU . 70.8 t80 -62.86 -29.2 70.57 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.17 -0.468 . . . . 72.140000000000001 110.892 179.91 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 7.0 mmtp -59.44 -57.94 10.77 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.136 -0.484 . . . . 70.540000000000006 110.887 179.971 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 54' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -75.3 -41.47 56.89 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.196 -0.456 . . . . 73.420000000000002 110.902 179.964 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -61.66 -25.07 67.15 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.254 -0.43 . . . . 71.219999999999999 111.084 179.804 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 3.6 tt0 -52.75 -25.22 10.55 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.257 -0.429 . . . . 73.120000000000005 110.87 -179.943 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 17.2 tt0 -76.57 -55.4 5.56 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.11 -0.495 . . . . 64.0 110.899 -179.96 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 58' ' ' ARG . . . . . 0.488 ' NH1' HD13 ' B' ' 37' ' ' LEU . 0.0 OUTLIER -68.93 -10.95 59.96 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.189 -0.459 . . . . 65.140000000000001 110.922 -179.933 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 59' ' ' LEU . . . . . 0.749 HD13 ' HB2' ' A' ' 9' ' ' ALA . 11.6 mt -100.87 -64.01 1.08 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.133 -0.485 . . . . 74.129999999999995 110.957 179.955 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 13.9 mmtp -88.92 -68.6 0.76 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.145 -0.48 . . . . 71.430000000000007 110.859 179.875 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 1.9 tmtt? 179.61 -60.03 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.25 -0.432 . . . . 75.510000000000005 110.873 179.858 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER . . . . . 0 C--N 1.329 -0.318 0 CA-C-N 116.213 -0.449 . . . . 74.230000000000004 110.89 179.902 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 1' ' ' MET . . . . . . . . . . . . . 3.7 ptt? . . . . . 0 C--O 1.231 0.091 0 CA-C-O 120.842 0.353 . . . . 54.350000000000001 110.857 . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' B' B ' 2' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -51.79 141.37 17.26 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.204 -0.453 . . . . 53.439999999999998 110.895 179.892 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 3' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -118.75 -28.94 5.49 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.179 -0.464 . . . . 74.329999999999998 110.867 179.832 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 4' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -176.49 -31.76 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.229 -0.441 . . . . 70.329999999999998 110.862 179.921 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 5' ' ' ARG . . . . . . . . . . . . . 37.3 mtt180 -51.31 -27.63 10.01 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.248 -0.433 . . . . 71.420000000000002 110.854 179.92 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 6' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -52.5 -26.43 13.01 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.233 -0.439 . . . . 64.5 110.854 -179.865 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 7' ' ' GLU . . . . . . . . . . . . . 1.5 mm-40 -52.94 -34.28 54.76 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.106 -0.497 . . . . 73.040000000000006 110.885 -179.946 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 8' ' ' ALA . . . . . 0.409 ' HB3' HD21 ' B' ' 59' ' ' LEU . . . -76.05 -27.97 57.47 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.129 -0.487 . . . . 71.340000000000003 111.074 179.961 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 9' ' ' ALA . . . . . 0.708 ' HB2' HD13 ' B' ' 59' ' ' LEU . . . -60.51 -40.2 90.57 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.295 -0.412 . . . . 30.329999999999998 111.078 179.979 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 10' ' ' LYS . . . . . . . . . . . . . 17.2 mtpt -55.76 -34.33 65.12 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.141 -0.481 . . . . 74.150000000000006 110.948 179.973 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 11' ' ' LEU . . . . . . . . . . . . . 32.4 mt -52.62 -42.98 65.1 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.257 -0.429 . . . . 71.200000000000003 110.931 179.879 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 12' ' ' PHE . . . . . . . . . . . . . 18.1 m-85 -74.16 -24.61 59.42 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.192 -0.458 . . . . 75.420000000000002 110.893 179.882 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 13' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -53.71 -38.04 63.87 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.214 -0.448 . . . . 73.140000000000001 110.885 -179.924 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 14' ' ' GLU . . . . . . . . . . . . . 5.4 mt-10 -66.23 -26.59 67.44 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.113 -0.494 . . . . 73.219999999999999 110.851 -179.894 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 15' ' ' TRP . . . . . 0.641 ' HE1' ' HB1' ' B' ' 44' ' ' ALA . 3.2 t90 -63.07 -56.2 18.99 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.169 -0.469 . . . . 73.120000000000005 110.945 179.998 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 16' ' ' LYS . . . . . . . . . . . . . 2.8 ptmt -71.19 -25.43 62.52 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.261 -0.427 . . . . 75.349999999999994 110.925 179.908 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 17' ' ' LYS . . . . . . . . . . . . . 4.0 tttt -75.15 -62.71 1.46 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.187 -0.46 . . . . 75.519999999999996 110.858 179.909 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 18' ' ' LEU . . . . . . . . . . . . . 3.3 mt -57.95 -24.46 58.06 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.241 -0.436 . . . . 71.310000000000002 110.926 179.935 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 19' ' ' ALA . . . . . . . . . . . . . . . -73.85 -10.06 59.28 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.223 -0.444 . . . . 75.340000000000003 111.133 179.76 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 20' ' ' GLU . . . . . . . . . . . . . 1.4 tp10 -72.97 -49.45 29.07 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.226 -0.443 . . . . 64.140000000000001 110.88 -179.875 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 21' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -53.57 -34.22 57.53 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.162 -0.472 . . . . 73.120000000000005 110.875 -179.946 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 22' ' ' ALA . . . . . 0.457 ' O ' HD12 ' B' ' 26' ' ' LEU . . . -77.78 -32.02 52.28 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.163 -0.472 . . . . 55.240000000000002 111.123 179.869 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 23' ' ' ALA . . . . . . . . . . . . . . . -71.23 -46.52 60.95 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.236 -0.438 . . . . 51.420000000000002 111.099 179.899 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 24' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -67.44 -36.91 82.14 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.183 -0.462 . . . . 73.349999999999994 110.943 179.969 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 25' ' ' LEU . . . . . 0.402 HD23 ' HA ' ' B' ' 25' ' ' LEU . 13.5 mt -76.76 -37.64 55.54 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.236 -0.438 . . . . 61.310000000000002 110.907 179.894 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 26' ' ' LEU . . . . . 0.457 HD12 ' O ' ' B' ' 22' ' ' ALA . 1.2 mt -50.37 -47.24 56.23 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.19 -0.459 . . . . 73.329999999999998 110.965 179.877 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 27' ' ' GLU . . . . . . . . . . . . . 1.1 mt-10 -100.01 12.32 37.14 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.157 -0.474 . . . . 73.310000000000002 110.872 179.962 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 28' ' ' GLY . . . . . . . . . . . . . . . -59.34 -14.5 26.97 Favored Glycine 0 N--CA 1.451 -0.333 0 C-N-CA 120.805 -0.712 . . . . 71.239999999999995 112.506 179.977 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 29' ' ' GLY . . . . . . . . . . . . . . . 135.04 43.79 0.11 Allowed Glycine 0 N--CA 1.451 -0.326 0 C-N-CA 120.774 -0.727 . . . . 23.440000000000001 112.5 -179.911 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 30' ' ' GLY . . . . . . . . . . . . . . . -170.81 62.47 0.17 Allowed Glycine 0 N--CA 1.45 -0.383 0 C-N-CA 120.723 -0.751 . . . . 74.129999999999995 112.478 -179.957 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 31' ' ' GLY . . . . . . . . . . . . . . . -171.61 -125.4 0.82 Allowed Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.682 -0.77 . . . . 64.140000000000001 112.408 -179.89 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 32' ' ' GLY . . . . . . . . . . . . . . . 56.48 27.97 54.93 Favored Glycine 0 N--CA 1.452 -0.287 0 C-N-CA 120.731 -0.747 . . . . 73.5 112.483 -179.925 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 33' ' ' GLY . . . . . . . . . . . . . . . -79.02 57.67 4.33 Favored Glycine 0 N--CA 1.451 -0.34 0 C-N-CA 120.748 -0.739 . . . . 24.140000000000001 112.5 -179.89 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 34' ' ' GLY . . . . . . . . . . . . . . . 92.72 -21.55 38.37 Favored Glycine 0 N--CA 1.451 -0.306 0 C-N-CA 120.72 -0.753 . . . . 60.420000000000002 112.489 -179.893 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 35' ' ' GLY . . . . . . . . . . . . . . . 95.9 -20.61 49.14 Favored Glycine 0 N--CA 1.45 -0.405 0 C-N-CA 120.805 -0.712 . . . . 75.530000000000001 112.482 -179.922 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 36' ' ' GLU . . . . . . . . . . . . . 35.7 tt0 -58.0 -39.28 77.89 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-O 120.867 0.365 . . . . 64.430000000000007 110.93 -179.886 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 37' ' ' LEU . . . . . 0.488 HD13 ' NH1' ' A' ' 58' ' ' ARG . 14.1 tp -59.54 -48.3 82.17 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.186 -0.461 . . . . 74.0 110.873 -179.998 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 38' ' ' MET . . . . . . . . . . . . . 25.6 ttm -66.15 -32.49 73.96 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.171 -0.468 . . . . 73.340000000000003 110.853 179.903 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 39' ' ' LYS . . . . . . . . . . . . . 9.4 tttt -58.37 -30.97 67.2 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.225 -0.443 . . . . 74.310000000000002 110.901 179.898 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 40' ' ' LEU . . . . . . . . . . . . . 24.9 mt -67.65 -60.53 2.47 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 116.194 -0.457 . . . . 74.109999999999999 110.887 179.961 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 41' ' ' CYS . . . . . . . . . . . . . 18.6 p -64.79 -24.15 67.46 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.201 -0.454 . . . . 72.140000000000001 110.895 179.916 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 42' ' ' GLU . . . . . . . . . . . . . 59.7 tt0 -66.43 -25.76 66.9 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.242 -0.436 . . . . 65.420000000000002 110.89 -179.881 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 43' ' ' GLU . . . . . . . . . . . . . 1.9 mm-40 -54.65 -44.57 73.37 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.063 -0.517 . . . . 74.140000000000001 110.846 -179.919 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 44' ' ' ALA . . . . . 0.641 ' HB1' ' HE1' ' B' ' 15' ' ' TRP . . . -51.43 -43.97 62.18 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.151 -0.477 . . . . 53.409999999999997 111.151 179.993 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 45' ' ' ALA . . . . . . . . . . . . . . . -75.73 -22.46 56.54 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.159 -0.473 . . . . 54.539999999999999 111.058 179.924 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 46' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -76.14 -48.49 20.4 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.297 -0.41 . . . . 74.400000000000006 110.902 179.987 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 47' ' ' LYS . . . . . . . . . . . . . 10.6 mmpt? -61.83 -38.73 89.28 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.183 -0.462 . . . . 74.140000000000001 110.9 179.835 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 48' ' ' ALA . . . . . 0.607 ' HB2' ' CD2' ' B' ' 15' ' ' TRP . . . -68.81 -45.07 72.21 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.189 -0.459 . . . . 65.510000000000005 111.142 179.788 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 49' ' ' GLU . . . . . . . . . . . . . 4.6 tp10 -70.51 -28.03 64.65 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.291 -0.413 . . . . 70.140000000000001 110.84 -179.94 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 50' ' ' GLU . . . . . . . . . . . . . 6.3 tt0 -73.21 -48.73 32.62 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.189 -0.46 . . . . 62.219999999999999 110.898 -179.862 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 51' ' ' LEU . . . . . 0.778 HD22 ' HB3' ' A' ' 40' ' ' LEU . 4.4 pp -71.17 -33.05 69.65 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.103 -0.499 . . . . 44.200000000000003 110.887 -179.979 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 52' ' ' PHE . . . . . 0.501 ' N ' HD12 ' B' ' 51' ' ' LEU . 69.8 t80 -64.56 -29.55 70.57 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 121.031 0.443 . . . . 75.040000000000006 110.932 179.901 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 53' ' ' LYS . . . . . . . . . . . . . 7.8 mmtp -60.7 -55.86 28.19 Favored 'General case' 0 C--N 1.33 -0.283 0 CA-C-N 116.205 -0.452 . . . . 75.040000000000006 110.89 179.921 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 54' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -75.17 -41.54 57.82 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.244 -0.434 . . . . 73.430000000000007 110.887 179.98 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 55' ' ' ALA . . . . . . . . . . . . . . . -62.69 -25.14 68.01 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.182 -0.463 . . . . 63.219999999999999 111.058 179.836 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 56' ' ' GLU . . . . . . . . . . . . . 3.9 tt0 -53.33 -25.2 14.2 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.202 -0.453 . . . . 63.119999999999997 110.902 -179.917 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 57' ' ' GLU . . . . . . . . . . . . . 18.0 tt0 -76.36 -55.4 5.59 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.153 -0.476 . . . . 64.420000000000002 110.861 -179.9 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 58' ' ' ARG . . . . . 0.424 ' HD3' ' HG ' ' B' ' 59' ' ' LEU . 0.0 OUTLIER -68.54 -11.06 59.4 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.174 -0.466 . . . . 75.140000000000001 110.878 -179.915 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' B' B ' 59' ' ' LEU . . . . . 0.708 HD13 ' HB2' ' B' ' 9' ' ' ALA . 11.6 mt -100.63 -64.43 1.05 Allowed 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 116.192 -0.458 . . . . 73.25 110.986 179.997 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 60' ' ' LYS . . . . . . . . . . . . . 13.0 mmtp -88.64 -68.55 0.76 Allowed 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.197 -0.456 . . . . 75.349999999999994 110.927 179.82 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 61' ' ' LYS . . . . . . . . . . . . . 2.0 tmtt? 179.61 -60.28 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.167 -0.47 . . . . 74.099999999999994 110.906 179.815 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 62' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER . . . . . 0 C--N 1.329 -0.312 0 CA-C-N 116.194 -0.457 . . . . 64.420000000000002 110.887 179.927 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 101' ' ' HLT . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . 0.481 ' HA ' HD21 ' A' ' 59' ' ' LEU . 11.1 ttp . . . . . 0 C--O 1.232 0.152 0 CA-C-O 120.841 0.353 . . . . 62.009999999999998 110.888 . . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -114.27 -74.4 0.62 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.312 -0.404 . . . . 73.510000000000005 110.897 179.955 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -145.06 -74.89 0.23 Allowed 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.222 -0.444 . . . . 75.329999999999998 110.931 179.879 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 4' ' ' LEU . . . . . 0.773 ' O ' HD22 ' A' ' 4' ' ' LEU . 0.0 OUTLIER -140.93 4.74 1.9 Allowed 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.227 -0.442 . . . . 74.120000000000005 110.906 179.931 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 5' ' ' ARG . . . . . 0.445 ' N ' HD13 ' A' ' 4' ' ' LEU . 3.5 mtt-85 -72.01 -30.45 65.24 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.188 -0.46 . . . . 63.509999999999998 110.846 179.956 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 6' ' ' GLU . . . . . 0.43 ' CA ' HD23 ' A' ' 59' ' ' LEU . 0.1 OUTLIER -55.29 -26.63 41.53 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.211 -0.45 . . . . 64.239999999999995 110.918 -179.968 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 18.5 pt-20 -53.74 -32.17 51.21 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.117 -0.492 . . . . 74.209999999999994 110.89 -179.924 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -74.9 -28.27 60.56 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.165 -0.471 . . . . 62.32 111.123 179.918 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 9' ' ' ALA . . . . . 0.553 ' CB ' ' HB1' ' A' ' 55' ' ' ALA . . . -74.2 -38.0 63.73 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.194 -0.457 . . . . 41.310000000000002 111.102 179.922 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 1.6 mtpt -62.37 -30.45 71.2 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.28 -0.418 . . . . 70.150000000000006 110.896 179.957 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 60.4 mt -51.92 -44.66 63.95 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.222 -0.444 . . . . 73.540000000000006 110.885 179.925 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 22.5 m-85 -74.09 -27.07 60.71 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.232 -0.44 . . . . 73.400000000000006 110.891 179.891 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -54.01 -33.11 56.27 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.202 -0.453 . . . . 73.140000000000001 110.842 -179.886 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 12.4 mt-10 -69.22 -35.7 76.45 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.172 -0.467 . . . . 74.099999999999994 110.926 -179.962 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 15' ' ' TRP . . . . . 0.711 ' HB3' ' HB2' ' A' ' 48' ' ' ALA . 4.2 t90 -64.74 -43.82 92.1 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.202 -0.454 . . . . 74.450000000000003 110.905 -179.985 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 5.3 ptmt -77.25 -28.17 53.5 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.286 -0.416 . . . . 72.230000000000004 110.879 179.918 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 19.3 mmtt -74.97 -54.62 6.88 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.187 -0.461 . . . . 54.43 110.921 179.904 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 21.6 mt -54.78 -33.61 61.6 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.192 -0.458 . . . . 54.329999999999998 110.952 179.904 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 19' ' ' ALA . . . . . 0.473 ' HB2' ' HB3' ' A' ' 44' ' ' ALA . . . -65.94 -26.85 67.77 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.189 -0.46 . . . . 74.040000000000006 111.085 179.829 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 1.4 tp10 -73.48 -49.4 26.91 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.206 -0.452 . . . . 70.25 110.923 -179.961 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 2.0 mm-40 -73.07 -49.65 27.39 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.164 -0.471 . . . . 60.020000000000003 110.906 -179.957 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -55.6 -30.67 61.3 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.162 -0.472 . . . . 73.049999999999997 111.161 179.907 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -71.1 -54.26 11.72 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.183 -0.462 . . . . 75.200000000000003 111.084 179.958 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 1.4 ptpp? -63.06 -34.47 77.65 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.255 -0.429 . . . . 75.519999999999996 110.871 179.981 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 25' ' ' LEU . . . . . 0.44 HD23 ' HA ' ' A' ' 25' ' ' LEU . 6.4 mt -76.79 -39.18 52.38 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.265 -0.425 . . . . 62.43 110.897 179.95 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 2.8 mt -50.69 -49.32 57.7 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.169 -0.469 . . . . 41.310000000000002 110.945 179.893 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 23.9 mt-10 -91.39 13.19 18.19 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.233 -0.44 . . . . 73.409999999999997 110.847 179.939 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . -73.9 60.51 2.15 Favored Glycine 0 N--CA 1.451 -0.336 0 C-N-CA 120.778 -0.725 . . . . 52.100000000000001 112.534 179.989 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . 51.71 39.82 47.32 Favored Glycine 0 N--CA 1.451 -0.339 0 C-N-CA 120.777 -0.725 . . . . 43.100000000000001 112.468 -179.911 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . -90.29 -51.21 2.8 Favored Glycine 0 N--CA 1.45 -0.38 0 C-N-CA 120.711 -0.757 . . . . 64.329999999999998 112.539 -179.921 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . -158.84 -47.6 0.01 OUTLIER Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 120.736 -0.745 . . . . 24.120000000000001 112.438 -179.924 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . -173.49 -110.75 0.25 Allowed Glycine 0 N--CA 1.451 -0.316 0 C-N-CA 120.753 -0.737 . . . . 72.239999999999995 112.517 -179.921 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . 74.32 116.65 0.09 OUTLIER Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 120.693 -0.765 . . . . 34.310000000000002 112.541 -179.854 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 169.49 85.16 0.06 OUTLIER Glycine 0 N--CA 1.451 -0.341 0 C-N-CA 120.706 -0.759 . . . . 74.329999999999998 112.458 -179.874 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 143.59 -132.52 4.98 Favored Glycine 0 N--CA 1.452 -0.285 0 C-N-CA 120.691 -0.766 . . . . 74.329999999999998 112.485 -179.865 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -71.09 -35.79 71.97 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-O 120.849 0.356 . . . . 72.430000000000007 110.849 -179.842 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 37' ' ' LEU . . . . . 0.749 HD13 ' HG ' ' B' ' 54' ' ' LEU . 13.1 tp -52.39 -56.67 13.4 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.146 -0.479 . . . . 74.420000000000002 110.934 179.992 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 38' ' ' MET . . . . . . . . . . . . . 1.0 OUTLIER -70.54 -25.56 63.16 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.16 -0.473 . . . . 50.549999999999997 110.892 179.844 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 6.3 tttp -54.12 -28.09 37.51 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.279 -0.419 . . . . 75.239999999999995 110.885 179.943 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 40' ' ' LEU . . . . . 0.544 ' HB2' HD21 ' B' ' 51' ' ' LEU . 13.1 mt -70.46 -31.34 68.45 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.211 -0.449 . . . . 60.100000000000001 110.911 179.921 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 41' ' ' CYS . . . . . . . . . . . . . 19.0 m -75.04 -45.42 41.75 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.165 -0.47 . . . . 65.109999999999999 110.872 179.92 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 4.6 tt0 -56.69 -25.66 54.68 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.248 -0.433 . . . . 71.530000000000001 110.868 -179.846 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 4.7 mm-40 -54.71 -33.97 61.73 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.196 -0.456 . . . . 44.229999999999997 110.9 -179.92 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 44' ' ' ALA . . . . . 0.649 ' HB1' ' CD1' ' A' ' 15' ' ' TRP . . . -51.61 -42.11 61.75 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.171 -0.468 . . . . 72.409999999999997 111.106 179.897 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -75.27 -22.85 57.49 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.157 -0.474 . . . . 63.329999999999998 111.095 179.95 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -74.49 -47.89 30.53 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.223 -0.444 . . . . 71.109999999999999 110.921 179.932 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 1.1 mptp? -59.82 -57.18 14.03 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.182 -0.463 . . . . 63.43 110.852 179.908 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 48' ' ' ALA . . . . . 0.711 ' HB2' ' HB3' ' A' ' 15' ' ' TRP . . . -51.91 -34.89 43.51 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.282 -0.417 . . . . 70.310000000000002 111.042 179.839 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 4.0 tt0 -65.13 -44.33 89.03 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.199 -0.455 . . . . 54.119999999999997 110.9 -179.865 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 17.9 mm-40 -74.07 -35.13 64.23 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.125 -0.489 . . . . 72.299999999999997 110.901 -179.918 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 51' ' ' LEU . . . . . 0.558 HD21 ' HB2' ' B' ' 40' ' ' LEU . 9.2 mt -72.64 -34.1 67.05 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.116 -0.493 . . . . 73.230000000000004 110.862 -179.959 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 52' ' ' PHE . . . . . . . . . . . . . 84.2 t80 -55.69 -27.98 53.16 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.152 -0.476 . . . . 75.200000000000003 110.897 179.953 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -53.48 -46.76 70.1 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.167 -0.469 . . . . 74.230000000000004 110.949 179.942 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 54' ' ' LEU . . . . . 0.496 ' HG ' HD13 ' B' ' 37' ' ' LEU . 1.6 mm? -71.89 -29.39 64.29 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.212 -0.449 . . . . 62.329999999999998 110.88 179.891 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 55' ' ' ALA . . . . . 0.553 ' HB1' ' CB ' ' A' ' 9' ' ' ALA . . . -54.24 -28.67 42.96 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.158 -0.474 . . . . 75.510000000000005 111.133 179.836 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 3.2 mm-40 -77.14 -31.29 55.58 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.237 -0.438 . . . . 63.329999999999998 110.878 -179.919 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -60.78 -44.54 96.65 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.159 -0.473 . . . . 74.209999999999994 110.935 -179.971 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -79.29 -25.62 42.4 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.136 -0.484 . . . . 73.209999999999994 110.901 -179.964 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 59' ' ' LEU . . . . . 0.483 ' C ' HD13 ' A' ' 59' ' ' LEU . 3.4 tm? -84.03 -73.64 0.41 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.117 -0.492 . . . . 54.140000000000001 110.926 -179.999 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -103.49 -174.85 2.64 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.174 -0.466 . . . . 75.150000000000006 110.909 179.831 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 8.1 ttpt -98.62 -25.52 14.69 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.214 -0.448 . . . . 74.530000000000001 110.915 179.858 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER . . . . . 0 C--N 1.328 -0.356 0 CA-C-N 116.219 -0.446 . . . . 74.049999999999997 110.904 179.894 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 1' ' ' MET . . . . . 0.502 ' N ' HD11 ' B' ' 59' ' ' LEU . 11.1 ttp . . . . . 0 C--O 1.231 0.083 0 CA-C-O 120.901 0.381 . . . . 74.420000000000002 110.865 . . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 2' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -114.24 -74.4 0.62 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.162 -0.472 . . . . 74.329999999999998 110.847 179.969 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 3' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -146.06 -74.58 0.22 Allowed 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.311 -0.404 . . . . 75.120000000000005 110.9 179.902 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 4' ' ' LEU . . . . . 0.771 HD22 ' O ' ' B' ' 4' ' ' LEU . 0.0 OUTLIER -140.71 4.86 1.95 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.25 -0.432 . . . . 72.299999999999997 110.877 179.946 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' B' B ' 5' ' ' ARG . . . . . 0.44 ' N ' HD13 ' B' ' 4' ' ' LEU . 3.5 mtt-85 -72.04 -29.88 64.62 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.195 -0.457 . . . . 75.310000000000002 110.828 179.973 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 6' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -54.88 -26.96 39.11 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.219 -0.446 . . . . 72.200000000000003 110.867 -179.964 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 7' ' ' GLU . . . . . . . . . . . . . 18.8 pt-20 -54.01 -32.61 54.76 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.107 -0.497 . . . . 71.219999999999999 110.869 -179.913 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 8' ' ' ALA . . . . . . . . . . . . . . . -74.74 -26.81 60.04 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.151 -0.477 . . . . 71.510000000000005 111.092 179.92 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 9' ' ' ALA . . . . . 0.596 ' CB ' ' HB1' ' B' ' 55' ' ' ALA . . . -73.6 -38.96 64.94 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.265 -0.425 . . . . 72.040000000000006 111.122 179.955 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 10' ' ' LYS . . . . . . . . . . . . . 1.6 mtpt -63.11 -29.81 71.1 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.176 -0.465 . . . . 72.109999999999999 110.906 179.933 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 11' ' ' LEU . . . . . . . . . . . . . 61.0 mt -51.67 -44.11 62.93 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.252 -0.431 . . . . 72.519999999999996 110.957 179.872 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 12' ' ' PHE . . . . . 0.587 ' O ' ' HB1' ' B' ' 48' ' ' ALA . 25.3 m-85 -74.21 -30.5 62.23 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.191 -0.459 . . . . 73.219999999999999 110.91 179.873 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 13' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -57.89 -42.21 84.16 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.134 -0.485 . . . . 61.340000000000003 110.912 -179.949 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 14' ' ' GLU . . . . . . . . . . . . . 12.7 mt-10 -75.22 -29.99 60.44 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.142 -0.481 . . . . 74.25 110.83 -179.93 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 15' ' ' TRP . . . . . . . . . . . . . 1.3 m0 -60.98 -46.15 91.93 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.216 -0.447 . . . . 73.530000000000001 110.947 -179.922 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 16' ' ' LYS . . . . . 0.72 ' HB3' ' HB3' ' B' ' 48' ' ' ALA . 5.1 ptmt -77.11 -25.32 52.05 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.222 -0.444 . . . . 74.420000000000002 110.852 179.901 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 17' ' ' LYS . . . . . . . . . . . . . 18.0 mmtt -71.7 -52.37 18.15 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.278 -0.419 . . . . 74.430000000000007 110.896 179.936 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 18' ' ' LEU . . . . . . . . . . . . . 19.7 mt -55.16 -32.62 62.28 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.236 -0.438 . . . . 73.340000000000003 110.928 179.889 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 19' ' ' ALA . . . . . 0.5 ' HB2' ' HB3' ' B' ' 44' ' ' ALA . . . -62.86 -21.86 66.28 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.219 -0.446 . . . . 62.350000000000001 111.178 179.75 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 20' ' ' GLU . . . . . . . . . . . . . 1.4 tp10 -73.02 -49.43 28.85 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.182 -0.463 . . . . 53.149999999999999 110.95 -179.973 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 21' ' ' GLU . . . . . . . . . . . . . 2.0 mm-40 -72.27 -49.21 36.6 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.118 -0.492 . . . . 73.129999999999995 110.925 -179.947 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 22' ' ' ALA . . . . . . . . . . . . . . . -56.39 -30.92 63.34 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.065 -0.516 . . . . 70.120000000000005 111.163 179.873 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 23' ' ' ALA . . . . . . . . . . . . . . . -70.96 -54.22 12.08 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.186 -0.461 . . . . 62.450000000000003 111.033 179.937 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 24' ' ' LYS . . . . . . . . . . . . . 1.4 ptpp? -62.74 -34.97 78.3 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.253 -0.43 . . . . 53.229999999999997 110.889 -179.996 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 25' ' ' LEU . . . . . 0.434 HD23 ' HA ' ' B' ' 25' ' ' LEU . 6.7 mt -76.51 -39.06 54.14 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.249 -0.432 . . . . 55.229999999999997 110.974 179.885 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 26' ' ' LEU . . . . . . . . . . . . . 2.7 mt -50.72 -49.07 58.57 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.173 -0.467 . . . . 71.120000000000005 110.915 179.92 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 27' ' ' GLU . . . . . . . . . . . . . 23.9 mt-10 -91.37 13.09 18.44 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.236 -0.438 . . . . 75.310000000000002 110.912 179.893 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 28' ' ' GLY . . . . . . . . . . . . . . . -73.9 60.62 2.15 Favored Glycine 0 N--CA 1.451 -0.332 0 C-N-CA 120.696 -0.764 . . . . 61.549999999999997 112.573 -179.958 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 29' ' ' GLY . . . . . . . . . . . . . . . 52.03 39.7 49.64 Favored Glycine 0 N--CA 1.451 -0.352 0 C-N-CA 120.704 -0.76 . . . . 34.140000000000001 112.467 -179.974 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 30' ' ' GLY . . . . . . . . . . . . . . . -90.34 -48.89 3.39 Favored Glycine 0 N--CA 1.451 -0.33 0 C-N-CA 120.8 -0.714 . . . . 54.539999999999999 112.469 -179.838 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 31' ' ' GLY . . . . . . . . . . . . . . . -156.67 -46.42 0.01 OUTLIER Glycine 0 N--CA 1.452 -0.296 0 C-N-CA 120.699 -0.763 . . . . 20.210000000000001 112.454 -179.93 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 32' ' ' GLY . . . . . . . . . . . . . . . -172.82 -111.92 0.27 Allowed Glycine 0 N--CA 1.451 -0.325 0 C-N-CA 120.694 -0.765 . . . . 74.230000000000004 112.445 -179.884 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 33' ' ' GLY . . . . . . . . . . . . . . . 73.46 116.84 0.07 OUTLIER Glycine 0 N--CA 1.451 -0.33 0 C-N-CA 120.753 -0.737 . . . . 72.420000000000002 112.562 -179.856 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 34' ' ' GLY . . . . . . . . . . . . . . . 169.57 84.53 0.06 OUTLIER Glycine 0 N--CA 1.451 -0.348 0 C-N-CA 120.758 -0.734 . . . . 35.229999999999997 112.469 -179.83 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 35' ' ' GLY . . . . . . . . . . . . . . . 142.72 -132.1 4.93 Favored Glycine 0 N--CA 1.45 -0.385 0 C-N-CA 120.726 -0.75 . . . . 62.219999999999999 112.431 -179.951 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 36' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -70.71 -34.74 72.26 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-O 120.917 0.389 . . . . 65.439999999999998 110.877 -179.837 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 37' ' ' LEU . . . . . 0.496 HD13 ' HG ' ' A' ' 54' ' ' LEU . 13.1 tp -52.08 -55.06 23.14 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.12 -0.491 . . . . 71.129999999999995 110.939 179.995 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 38' ' ' MET . . . . . . . . . . . . . 1.0 OUTLIER -69.72 -26.37 64.3 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.187 -0.46 . . . . 71.430000000000007 110.931 179.818 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 39' ' ' LYS . . . . . . . . . . . . . 6.2 tttp -55.19 -29.02 57.06 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.2 -0.454 . . . . 73.099999999999994 110.884 179.871 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 40' ' ' LEU . . . . . 0.558 ' HB2' HD21 ' A' ' 51' ' ' LEU . 13.3 mt -72.27 -26.76 62.11 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.223 -0.444 . . . . 73.140000000000001 110.966 179.962 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 41' ' ' CYS . . . . . . . . . . . . . 13.5 m -75.26 -43.58 50.61 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.187 -0.46 . . . . 65.230000000000004 110.839 179.873 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 42' ' ' GLU . . . . . . . . . . . . . 4.6 tt0 -55.69 -25.3 39.13 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.22 -0.445 . . . . 74.340000000000003 110.837 -179.842 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 43' ' ' GLU . . . . . . . . . . . . . 4.5 mm-40 -54.38 -33.41 59.16 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.154 -0.475 . . . . 70.099999999999994 110.851 -179.851 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 44' ' ' ALA . . . . . 0.5 ' HB3' ' HB2' ' B' ' 19' ' ' ALA . . . -51.41 -42.52 61.52 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.153 -0.476 . . . . 73.329999999999998 111.051 179.961 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 45' ' ' ALA . . . . . . . . . . . . . . . -75.47 -22.94 56.84 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.257 -0.429 . . . . 64.120000000000005 111.108 179.976 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 46' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -78.04 -49.51 13.87 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.25 -0.432 . . . . 75.25 110.961 179.919 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 47' ' ' LYS . . . . . . . . . . . . . 1.1 mptp? -55.73 -61.17 2.54 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.263 -0.426 . . . . 71.120000000000005 110.822 179.835 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 48' ' ' ALA . . . . . 0.72 ' HB3' ' HB3' ' B' ' 16' ' ' LYS . . . -54.62 -34.33 61.92 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.294 -0.412 . . . . 64.310000000000002 111.142 179.859 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 49' ' ' GLU . . . . . . . . . . . . . 3.9 tt0 -66.89 -43.0 84.58 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.215 -0.448 . . . . 71.120000000000005 110.823 -179.864 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 50' ' ' GLU . . . . . . . . . . . . . 18.0 mm-40 -73.03 -36.16 66.91 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.191 -0.459 . . . . 74.450000000000003 110.852 -179.911 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 51' ' ' LEU . . . . . 0.544 HD21 ' HB2' ' A' ' 40' ' ' LEU . 7.6 mt -72.97 -30.57 63.93 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.222 -0.445 . . . . 65.329999999999998 110.965 179.977 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 52' ' ' PHE . . . . . . . . . . . . . 82.1 t80 -57.12 -23.91 50.39 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.173 -0.467 . . . . 75.519999999999996 110.887 179.943 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 53' ' ' LYS . . . . . 0.575 ' HD2' HD22 ' B' ' 54' ' ' LEU . 0.1 OUTLIER -66.43 -47.94 71.59 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.178 -0.465 . . . . 74.430000000000007 110.961 179.912 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' B' B ' 54' ' ' LEU . . . . . 0.749 ' HG ' HD13 ' A' ' 37' ' ' LEU . 1.3 mm? -69.29 -25.59 64.32 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.259 -0.428 . . . . 74.329999999999998 110.932 179.864 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 55' ' ' ALA . . . . . 0.596 ' HB1' ' CB ' ' B' ' 9' ' ' ALA . . . -55.35 -26.95 44.06 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.207 -0.451 . . . . 75.109999999999999 111.078 179.762 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 56' ' ' GLU . . . . . . . . . . . . . 3.2 mm-40 -76.46 -30.85 57.49 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.205 -0.452 . . . . 74.319999999999993 110.872 -179.895 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 57' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -60.57 -44.62 95.99 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.168 -0.469 . . . . 73.540000000000006 110.872 -179.931 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 58' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -79.39 -25.67 42.1 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.154 -0.475 . . . . 64.209999999999994 110.857 -179.899 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 59' ' ' LEU . . . . . 0.502 HD11 ' N ' ' B' ' 1' ' ' MET . 3.4 tm? -83.93 -73.36 0.42 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.19 -0.459 . . . . 74.420000000000002 110.933 -179.942 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 60' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -103.66 -174.77 2.62 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.165 -0.47 . . . . 70.049999999999997 110.848 179.839 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 61' ' ' LYS . . . . . . . . . . . . . 8.1 ttpt -98.33 -25.45 14.83 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.203 -0.453 . . . . 74.040000000000006 110.832 179.886 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 62' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER . . . . . 0 C--N 1.328 -0.357 0 CA-C-N 116.243 -0.435 . . . . 74.209999999999994 110.914 179.962 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 101' ' ' HLT . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 0.9 OUTLIER . . . . . 0 C--O 1.231 0.079 0 CA-C-O 120.837 0.351 . . . . 71.310000000000002 110.827 . . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 4.0 pttt -174.29 162.06 3.57 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.183 -0.462 . . . . 75.150000000000006 110.946 179.966 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -137.32 -74.42 0.42 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.229 -0.441 . . . . 75.340000000000003 110.838 179.866 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 4' ' ' LEU . . . . . 0.77 ' O ' HD22 ' A' ' 4' ' ' LEU . 0.0 OUTLIER -140.51 4.57 1.97 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.282 -0.417 . . . . 72.150000000000006 110.916 179.982 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 5' ' ' ARG . . . . . 0.453 ' N ' HD13 ' A' ' 4' ' ' LEU . 97.4 mtt180 -71.59 -38.63 70.87 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.218 -0.447 . . . . 75.049999999999997 110.868 179.945 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 6' ' ' GLU . . . . . 0.819 ' HA ' HD22 ' A' ' 59' ' ' LEU . 0.2 OUTLIER -53.63 -27.95 30.07 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.148 -0.478 . . . . 71.439999999999998 110.845 -179.894 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 16.9 mt-10 -53.81 -34.09 58.08 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.183 -0.462 . . . . 60.119999999999997 110.903 -179.959 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -76.12 -26.99 56.91 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.201 -0.454 . . . . 52.32 111.064 179.966 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 9' ' ' ALA . . . . . 0.828 ' HB2' HD13 ' A' ' 59' ' ' LEU . . . -57.17 -42.26 80.8 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.183 -0.462 . . . . 52.020000000000003 111.063 179.974 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 11.8 mttm -55.88 -34.66 65.71 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.177 -0.465 . . . . 53.240000000000002 110.871 -179.998 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 35.5 mt -52.1 -43.73 64.07 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.258 -0.428 . . . . 64.099999999999994 110.946 179.939 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 21.6 m-85 -74.13 -24.66 59.47 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.185 -0.461 . . . . 74.310000000000002 110.913 179.912 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -53.58 -35.01 60.35 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.076 -0.511 . . . . 75.120000000000005 110.959 -179.975 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 5.9 mt-10 -63.87 -33.86 76.65 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.111 -0.495 . . . . 71.030000000000001 110.872 -179.923 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 15' ' ' TRP . . . . . 0.59 ' HB3' ' HB2' ' A' ' 48' ' ' ALA . 2.8 t90 -65.09 -47.55 76.84 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.108 -0.496 . . . . 72.129999999999995 110.889 -179.962 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 4.9 ptmt -75.52 -27.37 58.69 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.209 -0.451 . . . . 64.430000000000007 110.861 179.983 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER -75.17 -58.5 3.25 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.278 -0.419 . . . . 54.240000000000002 110.924 179.875 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 18' ' ' LEU . . . . . 0.435 HD12 ' F2 ' ' A' ' 101' ' ' HLT . 17.0 mt -55.68 -26.0 42.66 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.272 -0.422 . . . . 74.329999999999998 110.905 179.915 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 19' ' ' ALA . . . . . 0.71 ' HB1' ' HB2' ' A' ' 45' ' ' ALA . . . -71.86 -25.74 62.07 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.141 -0.481 . . . . 72.150000000000006 111.047 179.801 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 1.2 mt-10 -73.44 -49.29 27.68 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.262 -0.426 . . . . 75.549999999999997 110.871 -179.87 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 2.6 mm-40 -72.92 -51.14 19.7 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.157 -0.474 . . . . 64.219999999999999 110.874 -179.927 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -54.25 -30.63 51.05 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.14 -0.482 . . . . 65.109999999999999 111.095 179.949 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -70.82 -54.26 12.23 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.248 -0.433 . . . . 74.140000000000001 111.143 179.873 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 6.1 ptmm? -63.91 -33.84 76.62 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.196 -0.456 . . . . 72.230000000000004 110.9 179.931 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 5.6 mt -76.68 -39.89 50.66 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.228 -0.442 . . . . 75.209999999999994 110.962 179.901 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 3.1 mt -50.76 -49.8 57.2 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.186 -0.461 . . . . 73.510000000000005 110.905 179.889 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 24.8 mt-10 -90.96 12.47 19.52 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.241 -0.436 . . . . 71.530000000000001 110.832 179.954 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . -58.59 -15.21 24.62 Favored Glycine 0 N--CA 1.451 -0.341 0 C-N-CA 120.726 -0.75 . . . . 63.350000000000001 112.507 -179.952 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . 140.02 49.99 0.05 OUTLIER Glycine 0 N--CA 1.452 -0.267 0 C-N-CA 120.755 -0.736 . . . . 32.240000000000002 112.515 -179.904 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . -94.15 46.88 2.21 Favored Glycine 0 N--CA 1.452 -0.295 0 C-N-CA 120.808 -0.71 . . . . 62.030000000000001 112.542 -179.949 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . 52.03 -167.46 0.82 Allowed Glycine 0 N--CA 1.451 -0.346 0 C-N-CA 120.758 -0.734 . . . . 75.430000000000007 112.504 -179.879 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . -126.09 122.66 4.54 Favored Glycine 0 N--CA 1.451 -0.31 0 C-N-CA 120.77 -0.729 . . . . 74.129999999999995 112.498 -179.94 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -179.57 32.74 0.06 OUTLIER Glycine 0 N--CA 1.451 -0.308 0 C-N-CA 120.743 -0.741 . . . . 41.210000000000001 112.55 -179.974 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 34' ' ' GLY . . . . . 0.633 ' HA3' HD23 ' A' ' 37' ' ' LEU . . . -159.19 -65.29 0.01 OUTLIER Glycine 0 N--CA 1.452 -0.279 0 C-N-CA 120.755 -0.736 . . . . 52.240000000000002 112.492 -179.913 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 74.55 -87.25 0.72 Allowed Glycine 0 N--CA 1.45 -0.378 0 C-N-CA 120.713 -0.756 . . . . 65.120000000000005 112.483 -179.931 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 29.0 tt0 -57.78 -20.26 34.05 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.884 0.373 . . . . 72.420000000000002 110.873 -179.909 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 37' ' ' LEU . . . . . 0.64 HD13 ' NH2' ' B' ' 58' ' ' ARG . 0.4 OUTLIER -50.85 -27.73 8.01 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.197 -0.456 . . . . 73.230000000000004 110.94 179.979 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 38' ' ' MET . . . . . . . . . . . . . 0.6 OUTLIER -61.75 -38.94 89.83 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.235 -0.439 . . . . 74.420000000000002 110.895 179.82 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 8.6 tttt -56.63 -27.96 59.5 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.173 -0.467 . . . . 74.209999999999994 110.933 179.924 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 3.7 mt -73.99 -39.75 63.43 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.207 -0.451 . . . . 53.200000000000003 110.977 179.884 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 41' ' ' CYS . . . . . . . . . . . . . 17.2 m -72.52 -35.37 68.07 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.154 -0.476 . . . . 61.399999999999999 110.834 179.935 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -63.71 -25.46 68.21 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.191 -0.459 . . . . 64.219999999999999 110.884 -179.835 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 2.3 mt-10 -54.49 -40.88 68.94 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.215 -0.448 . . . . 70.239999999999995 110.87 -179.948 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 44' ' ' ALA . . . . . 0.468 ' HB2' ' CZ3' ' B' ' 15' ' ' TRP . . . -51.4 -42.47 61.45 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.162 -0.472 . . . . 63.32 111.163 179.875 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 45' ' ' ALA . . . . . 0.71 ' HB2' ' HB1' ' A' ' 19' ' ' ALA . . . -75.55 -22.77 56.76 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.185 -0.461 . . . . 62.119999999999997 111.092 179.984 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 3.9 tttt -76.23 -46.61 27.35 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.192 -0.458 . . . . 75.420000000000002 110.875 179.979 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 7.2 mmpt? -54.14 -55.03 31.69 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.19 -0.459 . . . . 72.230000000000004 110.887 179.89 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 48' ' ' ALA . . . . . 0.59 ' HB2' ' HB3' ' A' ' 15' ' ' TRP . . . -54.95 -37.99 67.17 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.19 -0.459 . . . . 73.420000000000002 111.089 179.849 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 1.1 tp10 -61.22 -40.07 92.62 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.204 -0.453 . . . . 74.200000000000003 110.874 -179.946 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 4.3 mt-10 -73.96 -43.74 57.2 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.194 -0.457 . . . . 73.349999999999994 110.903 -179.923 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 4.1 mt -62.88 -57.49 10.65 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.124 -0.489 . . . . 65.409999999999997 110.939 -179.946 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 52' ' ' PHE . . . . . . . . . . . . . 33.2 t80 -55.3 -29.4 58.16 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.162 -0.472 . . . . 74.140000000000001 110.904 179.869 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 7.7 tptp -54.55 -59.18 5.04 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.175 -0.466 . . . . 64.299999999999997 110.959 179.958 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 54' ' ' LEU . . . . . . . . . . . . . 4.4 mm? -75.57 -25.57 57.18 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.278 -0.419 . . . . 63.520000000000003 110.922 179.879 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -56.01 -31.5 63.12 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.123 -0.49 . . . . 53.509999999999998 111.081 179.814 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 56' ' ' GLU . . . . . 0.451 ' HB2' HD11 ' A' ' 62' ' ' LEU . 1.4 mt-10 -61.9 -28.54 69.59 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.203 -0.453 . . . . 71.019999999999996 110.894 -179.93 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 71.7 tt0 -73.51 -46.41 48.02 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.165 -0.47 . . . . 71.450000000000003 110.895 -179.932 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -79.57 -13.16 59.72 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.176 -0.465 . . . . 74.230000000000004 110.878 -179.969 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 59' ' ' LEU . . . . . 0.828 HD13 ' HB2' ' A' ' 9' ' ' ALA . 46.7 mt -106.72 -6.9 17.53 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.179 -0.464 . . . . 74.230000000000004 110.912 -179.943 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -146.14 -165.58 2.25 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.172 -0.467 . . . . 74.239999999999995 110.919 179.903 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 13.8 tttt -93.36 -54.01 3.85 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.251 -0.431 . . . . 61.399999999999999 110.894 179.786 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 62' ' ' LEU . . . . . 0.451 HD11 ' HB2' ' A' ' 56' ' ' GLU . 12.4 mt . . . . . 0 C--N 1.329 -0.318 0 CA-C-N 116.239 -0.437 . . . . 72.209999999999994 110.965 -179.971 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 1' ' ' MET . . . . . . . . . . . . . 0.9 OUTLIER . . . . . 0 C--O 1.231 0.083 0 CA-C-O 120.826 0.346 . . . . 72.319999999999993 110.885 . . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 2' ' ' LYS . . . . . . . . . . . . . 4.0 pttt -174.19 161.83 3.6 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.213 -0.449 . . . . 75.329999999999998 110.904 179.958 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 3' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -137.55 -74.55 0.41 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.185 -0.462 . . . . 62.119999999999997 110.851 179.842 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' B' B ' 4' ' ' LEU . . . . . 0.773 HD22 ' O ' ' B' ' 4' ' ' LEU . 0.0 OUTLIER -140.32 4.49 2.01 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.197 -0.456 . . . . 73.5 110.902 179.994 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' B' B ' 5' ' ' ARG . . . . . 0.469 ' HB3' HD23 ' B' ' 59' ' ' LEU . 97.3 mtt180 -71.42 -38.55 71.4 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.219 -0.446 . . . . 53.049999999999997 110.877 179.953 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' B' B ' 6' ' ' GLU . . . . . 0.828 ' HA ' HD22 ' B' ' 59' ' ' LEU . 0.3 OUTLIER -53.48 -27.92 27.89 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.142 -0.481 . . . . 71.430000000000007 110.938 -179.966 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' B' B ' 7' ' ' GLU . . . . . . . . . . . . . 16.9 mt-10 -53.72 -34.23 58.2 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.104 -0.498 . . . . 63.039999999999999 110.921 -179.964 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 8' ' ' ALA . . . . . . . . . . . . . . . -75.58 -26.97 58.35 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.144 -0.48 . . . . 52.409999999999997 111.074 179.983 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 9' ' ' ALA . . . . . 0.808 ' HB2' HD13 ' B' ' 59' ' ' LEU . . . -57.49 -42.33 82.5 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.255 -0.429 . . . . 54.299999999999997 111.132 179.97 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' B' B ' 10' ' ' LYS . . . . . . . . . . . . . 12.0 mttm -55.95 -33.96 65.23 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.294 -0.412 . . . . 74.510000000000005 110.934 179.92 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 11' ' ' LEU . . . . . . . . . . . . . 41.5 mt -51.67 -42.87 62.46 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.212 -0.449 . . . . 74.439999999999998 110.996 179.868 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 12' ' ' PHE . . . . . 0.544 ' CE1' HD13 ' B' ' 51' ' ' LEU . 24.8 m-85 -74.22 -29.0 61.51 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.16 -0.473 . . . . 75.5 110.952 179.887 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' B' B ' 13' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -58.6 -46.46 86.95 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.07 -0.514 . . . . 61.210000000000001 110.877 -179.925 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' B' B ' 14' ' ' GLU . . . . . . . . . . . . . 6.3 mt-10 -75.17 -27.99 59.9 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.175 -0.466 . . . . 74.25 110.84 -179.94 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 15' ' ' TRP . . . . . 0.468 ' CZ3' ' HB2' ' A' ' 44' ' ' ALA . 2.6 m0 -55.84 -55.36 33.42 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.178 -0.465 . . . . 72.519999999999996 110.895 -179.89 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' B' B ' 16' ' ' LYS . . . . . 0.711 ' HB3' ' HB3' ' B' ' 48' ' ' ALA . 4.8 ptmt -71.78 -19.64 61.98 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.186 -0.461 . . . . 75.349999999999994 110.929 179.972 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' B' B ' 17' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -70.75 -53.79 14.19 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.176 -0.465 . . . . 63.5 110.88 179.907 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' B' B ' 18' ' ' LEU . . . . . . . . . . . . . 21.8 mt -55.8 -26.28 45.53 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.215 -0.448 . . . . 61.109999999999999 110.946 179.9 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 19' ' ' ALA . . . . . . . . . . . . . . . -72.98 -25.65 61.07 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.206 -0.452 . . . . 52.32 111.103 179.775 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 20' ' ' GLU . . . . . . . . . . . . . 1.1 mt-10 -73.19 -49.35 28.53 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.234 -0.439 . . . . 72.019999999999996 110.905 -179.933 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 21' ' ' GLU . . . . . . . . . . . . . 2.6 mm-40 -72.71 -51.16 20.43 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.137 -0.483 . . . . 70.219999999999999 110.972 179.995 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 22' ' ' ALA . . . . . . . . . . . . . . . -54.25 -30.64 51.16 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.119 -0.492 . . . . 71.510000000000005 111.109 179.933 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 23' ' ' ALA . . . . . . . . . . . . . . . -70.81 -54.23 12.38 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.197 -0.456 . . . . 64.209999999999994 111.124 179.881 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 24' ' ' LYS . . . . . . . . . . . . . 6.1 ptmm? -64.01 -33.87 76.73 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.168 -0.469 . . . . 65.409999999999997 110.912 179.943 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 25' ' ' LEU . . . . . 0.429 HD23 ' HA ' ' B' ' 25' ' ' LEU . 5.7 mt -76.7 -39.64 51.34 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.229 -0.441 . . . . 64.420000000000002 110.938 179.896 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' B' B ' 26' ' ' LEU . . . . . . . . . . . . . 3.0 mt -50.66 -50.18 55.28 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.231 -0.44 . . . . 72.409999999999997 110.95 179.876 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 27' ' ' GLU . . . . . . . . . . . . . 23.9 mt-10 -90.98 12.11 20.72 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.197 -0.456 . . . . 53.130000000000003 110.857 179.924 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 28' ' ' GLY . . . . . . . . . . . . . . . -58.91 -15.03 26.34 Favored Glycine 0 N--CA 1.45 -0.411 0 C-N-CA 120.768 -0.729 . . . . 70.239999999999995 112.54 -179.951 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 29' ' ' GLY . . . . . . . . . . . . . . . 135.74 42.72 0.11 Allowed Glycine 0 N--CA 1.452 -0.267 0 C-N-CA 120.729 -0.748 . . . . 72.010000000000005 112.483 -179.919 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 30' ' ' GLY . . . . . . . . . . . . . . . -101.75 54.83 0.76 Allowed Glycine 0 N--CA 1.451 -0.33 0 C-N-CA 120.697 -0.763 . . . . 62.43 112.442 -179.905 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 31' ' ' GLY . . . . . . . . . . . . . . . 58.95 -143.58 45.43 Favored Glycine 0 N--CA 1.452 -0.3 0 C-N-CA 120.777 -0.725 . . . . 63.329999999999998 112.431 -179.925 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 32' ' ' GLY . . . . . . . . . . . . . . . -100.75 119.52 6.55 Favored Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 120.732 -0.747 . . . . 53.530000000000001 112.461 -179.873 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 33' ' ' GLY . . . . . 0.434 ' O ' HD21 ' B' ' 37' ' ' LEU . . . 174.21 34.24 0.04 OUTLIER Glycine 0 N--CA 1.452 -0.275 0 C-N-CA 120.717 -0.754 . . . . 63.049999999999997 112.525 -179.886 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' B' B ' 34' ' ' GLY . . . . . . . . . . . . . . . -149.03 -92.43 0.1 Allowed Glycine 0 N--CA 1.451 -0.361 0 C-N-CA 120.719 -0.753 . . . . 44.329999999999998 112.54 -179.894 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 35' ' ' GLY . . . . . . . . . . . . . . . 50.66 -124.84 20.95 Favored Glycine 0 N--CA 1.451 -0.31 0 C-N-CA 120.713 -0.756 . . . . 72.140000000000001 112.5 -179.963 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 36' ' ' GLU . . . . . . . . . . . . . 32.3 tt0 -76.39 -25.29 54.41 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-O 120.904 0.383 . . . . 70.129999999999995 110.867 -179.889 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 37' ' ' LEU . . . . . 0.531 ' O ' HD12 ' B' ' 37' ' ' LEU . 0.3 OUTLIER -60.65 -22.8 64.23 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.102 -0.499 . . . . 75.230000000000004 110.93 -179.963 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' B' B ' 38' ' ' MET . . . . . . . . . . . . . 0.6 OUTLIER -55.21 -25.89 35.91 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.246 -0.434 . . . . 71.230000000000004 110.844 179.881 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' B' B ' 39' ' ' LYS . . . . . . . . . . . . . 8.8 tttt -53.64 -27.93 30.05 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.234 -0.439 . . . . 71.450000000000003 110.889 179.949 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 40' ' ' LEU . . . . . . . . . . . . . 3.7 mt -71.21 -36.12 71.78 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.217 -0.447 . . . . 61.450000000000003 110.89 179.947 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 41' ' ' CYS . . . . . . . . . . . . . 14.6 m -71.66 -34.26 69.58 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.212 -0.449 . . . . 72.409999999999997 110.867 179.941 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 42' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -59.54 -24.9 64.08 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.213 -0.449 . . . . 62.240000000000002 110.901 -179.869 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' B' B ' 43' ' ' GLU . . . . . . . . . . . . . 2.4 mt-10 -54.06 -37.43 64.17 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.126 -0.488 . . . . 64.510000000000005 110.843 -179.956 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 44' ' ' ALA . . . . . 0.604 ' HB1' 'CL ' ' A' ' 101' ' ' HLT . . . -51.44 -42.81 61.79 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.173 -0.467 . . . . 65.340000000000003 111.059 179.958 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' B' B ' 45' ' ' ALA . . . . . . . . . . . . . . . -75.59 -22.79 56.6 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.237 -0.438 . . . . 62.25 111.164 179.953 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 46' ' ' LYS . . . . . . . . . . . . . 3.9 tttt -78.06 -43.28 29.7 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.168 -0.469 . . . . 75.219999999999999 111.005 179.83 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 47' ' ' LYS . . . . . . . . . . . . . 7.3 mmpt? -54.66 -56.63 17.12 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.242 -0.435 . . . . 75.109999999999999 110.85 179.879 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 48' ' ' ALA . . . . . 0.711 ' HB3' ' HB3' ' B' ' 16' ' ' LYS . . . -56.8 -38.46 72.59 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.211 -0.449 . . . . 73.310000000000002 111.076 179.847 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' B' B ' 49' ' ' GLU . . . . . . . . . . . . . 1.1 tp10 -62.84 -41.57 99.4 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.189 -0.459 . . . . 71.400000000000006 110.895 -179.931 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 50' ' ' GLU . . . . . . . . . . . . . 4.4 mt-10 -74.11 -42.86 59.4 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.153 -0.476 . . . . 70.230000000000004 110.888 -179.92 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 51' ' ' LEU . . . . . 0.544 HD13 ' CE1' ' B' ' 12' ' ' PHE . 3.5 mt -62.14 -51.06 69.4 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.161 -0.472 . . . . 71.430000000000007 110.958 179.978 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' B' B ' 52' ' ' PHE . . . . . . . . . . . . . 33.1 t80 -53.94 -31.29 49.9 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.165 -0.471 . . . . 74.219999999999999 110.853 179.943 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 53' ' ' LYS . . . . . . . . . . . . . 8.0 tptp -56.51 -59.68 4.64 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.182 -0.463 . . . . 60.229999999999997 110.888 -179.975 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 54' ' ' LEU . . . . . . . . . . . . . 4.4 mm? -75.54 -24.08 56.7 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.263 -0.426 . . . . 62.039999999999999 110.928 179.884 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 55' ' ' ALA . . . . . . . . . . . . . . . -56.97 -32.6 66.22 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.199 -0.455 . . . . 62.219999999999999 111.116 179.796 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 56' ' ' GLU . . . . . 0.46 ' HB2' HD11 ' B' ' 62' ' ' LEU . 1.4 mt-10 -59.9 -28.16 67.34 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.197 -0.456 . . . . 65.030000000000001 110.869 -179.846 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' B' B ' 57' ' ' GLU . . . . . . . . . . . . . 71.9 tt0 -73.42 -46.88 45.94 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.147 -0.479 . . . . 71.319999999999993 110.882 -179.95 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 58' ' ' ARG . . . . . 0.64 ' NH2' HD13 ' A' ' 37' ' ' LEU . 0.1 OUTLIER -79.52 -12.83 59.85 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.148 -0.478 . . . . 74.040000000000006 110.919 -179.968 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' B' B ' 59' ' ' LEU . . . . . 0.828 HD22 ' HA ' ' B' ' 6' ' ' GLU . 40.3 mt -106.61 -7.29 17.47 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.17 -0.468 . . . . 62.130000000000003 110.878 -179.984 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' B' B ' 60' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -145.99 -165.48 2.21 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.203 -0.453 . . . . 55.32 110.92 179.804 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' B' B ' 61' ' ' LYS . . . . . . . . . . . . . 13.7 tttt -92.99 -54.49 3.71 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.237 -0.438 . . . . 72.040000000000006 110.871 179.943 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 62' ' ' LEU . . . . . 0.46 HD11 ' HB2' ' B' ' 56' ' ' GLU . 12.5 mt . . . . . 0 C--N 1.328 -0.347 0 CA-C-N 116.222 -0.444 . . . . 74.129999999999995 110.88 179.869 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 101' ' ' HLT . . . . . 0.604 'CL ' ' HB1' ' B' ' 44' ' ' ALA . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 6.7 mtt . . . . . 0 C--O 1.231 0.088 0 CA-C-O 120.827 0.346 . . . . 72.0 110.929 . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild full ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -153.7 -167.21 2.61 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.228 -0.442 . . . . 75.120000000000005 110.929 179.977 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -179.37 -52.17 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.258 -0.428 . . . . 65.310000000000002 110.927 179.85 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER 176.91 -31.77 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.176 -0.466 . . . . 71.299999999999997 110.875 179.872 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 7.4 mtt180 -68.72 -24.32 64.46 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.186 -0.461 . . . . 54.32 110.854 179.958 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -54.22 -26.91 31.07 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.25 -0.432 . . . . 65.519999999999996 110.822 -179.908 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 12.1 mt-10 -54.47 -31.08 55.03 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.212 -0.449 . . . . 73.420000000000002 110.844 -179.919 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -73.89 -27.06 60.87 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.238 -0.437 . . . . 71.150000000000006 111.101 179.891 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 9' ' ' ALA . . . . . 0.741 ' HB2' HD23 ' A' ' 59' ' ' LEU . . . -58.16 -50.49 73.34 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.225 -0.443 . . . . 72.129999999999995 111.097 179.965 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 1.6 mtpp -55.98 -44.28 78.39 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.17 -0.468 . . . . 63.240000000000002 110.863 179.991 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 17.9 mt -51.66 -40.58 60.27 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.29 -0.414 . . . . 74.209999999999994 110.957 179.896 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 12' ' ' PHE . . . . . 0.601 ' CG ' HD11 ' A' ' 51' ' ' LEU . 24.2 m-85 -74.32 -26.93 60.46 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.198 -0.455 . . . . 54.340000000000003 110.892 179.921 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 5.2 tt0 -53.98 -27.75 33.49 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.144 -0.48 . . . . 73.439999999999998 110.867 -179.921 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 6.9 mt-10 -73.29 -33.19 65.07 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.136 -0.484 . . . . 70.439999999999998 110.812 -179.868 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 15' ' ' TRP . . . . . 0.607 ' CH2' ' HB2' ' B' ' 44' ' ' ALA . 2.9 t90 -64.44 -46.08 84.7 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 116.237 -0.438 . . . . 63.439999999999998 110.951 -179.994 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -77.44 -27.93 52.33 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.174 -0.466 . . . . 73.319999999999993 110.882 179.924 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 17.1 mmtt -75.23 -62.37 1.58 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.246 -0.434 . . . . 72.450000000000003 110.919 179.857 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 3.7 mt -56.5 -24.7 48.01 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.212 -0.449 . . . . 52.020000000000003 110.913 179.943 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 19' ' ' ALA . . . . . 0.62 ' HB1' ' HB2' ' A' ' 45' ' ' ALA . . . -72.88 -29.46 63.2 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.156 -0.475 . . . . 70.5 111.124 179.796 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 3.8 tp10 -73.32 -49.75 25.75 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.221 -0.445 . . . . 74.219999999999999 110.887 -179.964 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 9.7 pt-20 -57.42 -46.66 83.28 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.16 -0.473 . . . . 72.329999999999998 110.915 -179.943 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -63.77 -32.62 74.18 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.114 -0.494 . . . . 71.049999999999997 111.096 179.905 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -70.61 -47.99 57.35 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.267 -0.424 . . . . 71.219999999999999 111.063 179.97 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -67.2 -36.34 81.53 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.228 -0.442 . . . . 72.120000000000005 110.905 -179.997 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 25' ' ' LEU . . . . . 0.437 HD23 ' HA ' ' A' ' 25' ' ' LEU . 10.5 mt -76.54 -37.8 56.08 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.191 -0.459 . . . . 64.430000000000007 110.974 179.909 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 4.0 mt -50.51 -49.87 54.5 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.112 -0.495 . . . . 75.150000000000006 110.884 179.888 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 40.8 mt-10 -93.55 12.47 25.09 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.224 -0.443 . . . . 70.530000000000001 110.92 179.932 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . -59.65 -14.29 28.23 Favored Glycine 0 N--CA 1.45 -0.383 0 C-N-CA 120.724 -0.751 . . . . 73.430000000000007 112.52 179.982 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . 135.13 43.66 0.11 Allowed Glycine 0 N--CA 1.45 -0.415 0 C-N-CA 120.775 -0.726 . . . . 64.129999999999995 112.517 -179.899 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . -113.52 -84.61 1.32 Allowed Glycine 0 N--CA 1.451 -0.345 0 C-N-CA 120.759 -0.734 . . . . 34.219999999999999 112.476 -179.868 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . 161.07 168.45 22.97 Favored Glycine 0 N--CA 1.45 -0.391 0 C-N-CA 120.778 -0.725 . . . . 72.230000000000004 112.464 -179.968 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . -159.08 166.98 34.78 Favored Glycine 0 N--CA 1.452 -0.296 0 C-N-CA 120.708 -0.758 . . . . 44.420000000000002 112.516 -179.87 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -112.53 117.28 4.29 Favored Glycine 0 N--CA 1.451 -0.305 0 C-N-CA 120.747 -0.739 . . . . 33.229999999999997 112.513 -179.948 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 60.37 -125.29 38.27 Favored Glycine 0 N--CA 1.451 -0.304 0 C-N-CA 120.757 -0.735 . . . . 33.310000000000002 112.54 -179.855 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . -150.02 -65.46 0.01 OUTLIER Glycine 0 N--CA 1.45 -0.421 0 C-N-CA 120.776 -0.726 . . . . 64.310000000000002 112.545 -179.922 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 41.5 tt0 -53.21 -34.88 58.92 Favored 'General case' 0 C--N 1.33 -0.283 0 CA-C-O 120.843 0.354 . . . . 72.439999999999998 110.83 -179.88 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 5.9 tp -54.8 -58.13 8.78 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.122 -0.49 . . . . 51.399999999999999 110.862 -179.935 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 38' ' ' MET . . . . . . . . . . . . . 14.1 ttm -70.95 -27.3 63.65 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.182 -0.463 . . . . 63.530000000000001 110.881 179.828 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 2.5 tttt -54.89 -28.36 49.92 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.284 -0.416 . . . . 72.420000000000002 110.916 179.944 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 8.7 mt -54.52 -42.37 70.78 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.233 -0.439 . . . . 75.219999999999999 110.863 179.922 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 41' ' ' CYS . . . . . 0.569 ' SG ' HD13 ' B' ' 51' ' ' LEU . 15.6 m -74.84 -41.19 60.35 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.178 -0.465 . . . . 61.109999999999999 110.9 179.93 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -55.54 -24.83 34.36 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.161 -0.472 . . . . 75.099999999999994 110.887 -179.833 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 1.9 mm-40 -54.5 -24.82 22.12 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.131 -0.486 . . . . 72.319999999999993 110.923 179.997 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 44' ' ' ALA . . . . . 0.625 ' HB2' ' CH2' ' B' ' 15' ' ' TRP . . . -51.32 -44.31 61.92 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.135 -0.484 . . . . 52.140000000000001 111.091 179.949 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 45' ' ' ALA . . . . . 0.62 ' HB2' ' HB1' ' A' ' 19' ' ' ALA . . . -75.19 -22.98 57.62 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.215 -0.448 . . . . 64.329999999999998 111.163 179.934 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 8.0 mttp -76.43 -49.9 15.49 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.181 -0.463 . . . . 75.150000000000006 110.85 179.984 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 47' ' ' LYS . . . . . 0.55 ' O ' HD23 ' A' ' 51' ' ' LEU . 7.0 mmtp -70.17 -26.92 64.14 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.24 -0.436 . . . . 74.120000000000005 110.923 179.858 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 48' ' ' ALA . . . . . 0.411 ' HB2' ' CG ' ' A' ' 15' ' ' TRP . . . -67.88 -50.19 57.79 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.242 -0.436 . . . . 50.240000000000002 111.123 179.824 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 5.7 tt0 -77.27 -27.92 53.33 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.206 -0.452 . . . . 62.119999999999997 110.919 -179.994 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 62.1 tt0 -66.61 -51.25 58.39 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.178 -0.465 . . . . 61.219999999999999 110.875 -179.905 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 51' ' ' LEU . . . . . 0.601 HD11 ' CG ' ' A' ' 12' ' ' PHE . 2.2 pp -73.31 -36.06 66.19 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.178 -0.464 . . . . 73.230000000000004 110.888 -179.952 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 52' ' ' PHE . . . . . . . . . . . . . 75.8 t80 -64.05 -24.44 67.71 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.163 -0.471 . . . . 73.150000000000006 110.87 179.952 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -65.69 -59.25 4.11 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.201 -0.454 . . . . 71.540000000000006 110.866 179.979 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 54' ' ' LEU . . . . . . . . . . . . . 4.5 mm? -75.12 -24.41 58.04 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.196 -0.456 . . . . 71.25 110.928 179.931 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 55' ' ' ALA . . . . . 0.436 ' O ' HD13 ' A' ' 59' ' ' LEU . . . -55.74 -24.98 38.24 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.127 -0.488 . . . . 72.450000000000003 111.07 179.875 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 56' ' ' GLU . . . . . 0.41 ' HB2' HD12 ' A' ' 62' ' ' LEU . 3.6 mt-10 -77.02 -28.6 55.01 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.251 -0.432 . . . . 62.240000000000002 110.843 -179.917 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 2.6 tt0 -65.19 -44.07 89.6 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.197 -0.456 . . . . 63.130000000000003 110.944 -179.912 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 1.2 mtt180 -78.51 -29.65 46.72 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.086 -0.506 . . . . 71.420000000000002 110.915 -179.955 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 59' ' ' LEU . . . . . 0.741 HD23 ' HB2' ' A' ' 9' ' ' ALA . 5.2 mp -77.72 -64.01 1.25 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.2 -0.454 . . . . 74.010000000000005 110.962 -179.984 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -116.17 -79.09 0.58 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.244 -0.435 . . . . 70.430000000000007 110.952 179.778 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 6.0 ptmt 178.01 -35.63 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.279 -0.419 . . . . 71.120000000000005 110.877 179.779 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 62' ' ' LEU . . . . . 0.41 HD12 ' HB2' ' A' ' 56' ' ' GLU . 0.4 OUTLIER . . . . . 0 C--N 1.328 -0.334 0 CA-C-N 116.265 -0.425 . . . . 64.519999999999996 110.89 179.887 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' B' B ' 1' ' ' MET . . . . . . . . . . . . . 6.7 mtt . . . . . 0 C--O 1.231 0.102 0 CA-C-O 120.84 0.353 . . . . 71.319999999999993 110.847 . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild full ' B' B ' 2' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -153.62 -167.02 2.56 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.213 -0.449 . . . . 71.019999999999996 110.937 179.942 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' B' B ' 3' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -179.39 -52.17 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.277 -0.42 . . . . 72.040000000000006 110.925 179.854 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' B' B ' 4' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER 176.77 -31.57 0.0 OUTLIER 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.266 -0.425 . . . . 75.010000000000005 110.96 179.874 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' B' B ' 5' ' ' ARG . . . . . . . . . . . . . 7.5 mtt180 -68.05 -25.33 65.31 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.209 -0.45 . . . . 73.329999999999998 110.89 179.89 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 6' ' ' GLU . . . . . . . . . . . . . 1.1 mt-10 -53.96 -27.88 34.03 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.159 -0.473 . . . . 74.540000000000006 110.882 -179.928 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 7' ' ' GLU . . . . . . . . . . . . . 12.0 mt-10 -54.49 -31.06 55.2 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.166 -0.47 . . . . 64.319999999999993 110.946 -179.96 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 8' ' ' ALA . . . . . . . . . . . . . . . -73.52 -27.23 61.25 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.229 -0.441 . . . . 73.230000000000004 111.105 179.909 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 9' ' ' ALA . . . . . 0.724 ' HB2' HD23 ' B' ' 59' ' ' LEU . . . -58.36 -50.07 74.95 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.259 -0.428 . . . . 60.509999999999998 111.055 179.938 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' B' B ' 10' ' ' LYS . . . . . . . . . . . . . 1.5 mtpp -56.26 -43.83 79.12 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.25 -0.432 . . . . 74.310000000000002 110.943 179.94 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 11' ' ' LEU . . . . . . . . . . . . . 18.9 mt -51.58 -40.6 60.09 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.236 -0.438 . . . . 50.350000000000001 110.907 179.863 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 12' ' ' PHE . . . . . 0.65 ' CG ' HD11 ' B' ' 51' ' ' LEU . 25.6 m-85 -74.29 -27.14 60.59 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.187 -0.46 . . . . 74.400000000000006 110.865 179.983 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' B' B ' 13' ' ' GLU . . . . . . . . . . . . . 5.2 tt0 -55.84 -27.68 52.66 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.17 -0.468 . . . . 74.349999999999994 110.919 -179.996 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 14' ' ' GLU . . . . . . . . . . . . . 7.3 mt-10 -74.06 -34.97 64.23 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.201 -0.454 . . . . 73.319999999999993 110.875 -179.906 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 15' ' ' TRP . . . . . 0.625 ' CH2' ' HB2' ' A' ' 44' ' ' ALA . 5.1 t90 -63.62 -44.98 92.34 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.142 -0.481 . . . . 72.439999999999998 110.932 179.972 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' B' B ' 16' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -77.71 -28.58 50.95 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.314 -0.403 . . . . 74.109999999999999 110.96 179.903 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' B' B ' 17' ' ' LYS . . . . . . . . . . . . . 16.2 mmtt -74.31 -62.65 1.44 Allowed 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.187 -0.46 . . . . 74.219999999999999 110.922 179.766 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 18' ' ' LEU . . . . . 0.442 HD23 ' OE2' ' B' ' 21' ' ' GLU . 4.6 mt -56.33 -24.63 45.09 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.155 -0.475 . . . . 63.439999999999998 110.943 179.95 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' B' B ' 19' ' ' ALA . . . . . 0.529 ' HB1' ' HB2' ' B' ' 45' ' ' ALA . . . -73.03 -29.33 62.92 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.184 -0.462 . . . . 62.240000000000002 111.012 179.88 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' B' B ' 20' ' ' GLU . . . . . . . . . . . . . 3.8 tp10 -73.42 -49.8 25.11 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.315 -0.402 . . . . 74.439999999999998 110.889 -179.919 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 21' ' ' GLU . . . . . 0.442 ' OE2' HD23 ' B' ' 18' ' ' LEU . 9.6 pt-20 -57.05 -46.76 82.2 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 116.137 -0.483 . . . . 63.409999999999997 110.915 -179.905 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' B' B ' 22' ' ' ALA . . . . . . . . . . . . . . . -63.84 -32.69 74.28 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.17 -0.468 . . . . 63.509999999999998 111.041 179.96 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 23' ' ' ALA . . . . . . . . . . . . . . . -70.58 -48.15 56.71 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.21 -0.45 . . . . 63.020000000000003 111.107 179.965 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 24' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -66.95 -36.26 81.82 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.191 -0.459 . . . . 71.310000000000002 110.872 179.996 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' B' B ' 25' ' ' LEU . . . . . 0.443 HD23 ' HA ' ' B' ' 25' ' ' LEU . 10.4 mt -76.6 -38.03 55.45 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.182 -0.463 . . . . 75.319999999999993 110.916 179.958 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' B' B ' 26' ' ' LEU . . . . . . . . . . . . . 4.0 mt -50.56 -48.96 57.28 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.206 -0.452 . . . . 72.319999999999993 110.954 179.87 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 27' ' ' GLU . . . . . . . . . . . . . 41.9 mt-10 -93.52 12.54 24.79 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.153 -0.476 . . . . 74.409999999999997 110.877 179.9 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 28' ' ' GLY . . . . . . . . . . . . . . . -59.81 -14.13 28.62 Favored Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.716 -0.754 . . . . 63.32 112.467 -179.942 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 29' ' ' GLY . . . . . . . . . . . . . . . 135.99 43.82 0.1 Allowed Glycine 0 N--CA 1.452 -0.294 0 C-N-CA 120.676 -0.773 . . . . 64.319999999999993 112.507 -179.906 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 30' ' ' GLY . . . . . . . . . . . . . . . -113.27 -82.43 1.14 Allowed Glycine 0 N--CA 1.451 -0.343 0 C-N-CA 120.699 -0.762 . . . . 73.340000000000003 112.475 -179.868 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 31' ' ' GLY . . . . . . . . . . . . . . . 162.01 165.71 19.44 Favored Glycine 0 N--CA 1.451 -0.34 0 C-N-CA 120.76 -0.733 . . . . 74.439999999999998 112.474 -179.925 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 32' ' ' GLY . . . . . . . . . . . . . . . -160.67 167.61 35.86 Favored Glycine 0 N--CA 1.452 -0.28 0 C-N-CA 120.755 -0.735 . . . . 42.329999999999998 112.495 -179.945 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 33' ' ' GLY . . . . . . . . . . . . . . . -112.43 117.5 4.37 Favored Glycine 0 N--CA 1.452 -0.285 0 C-N-CA 120.763 -0.732 . . . . 73.5 112.499 -179.931 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 34' ' ' GLY . . . . . . . . . . . . . . . 60.8 -125.05 37.31 Favored Glycine 0 N--CA 1.451 -0.331 0 C-N-CA 120.719 -0.753 . . . . 63.149999999999999 112.499 -179.898 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 35' ' ' GLY . . . . . . . . . . . . . . . -149.28 -65.76 0.01 OUTLIER Glycine 0 N--CA 1.452 -0.294 0 C-N-CA 120.75 -0.738 . . . . 53.32 112.495 -179.933 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 36' ' ' GLU . . . . . . . . . . . . . 41.5 tt0 -53.11 -34.48 56.89 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-O 120.876 0.37 . . . . 74.140000000000001 110.919 -179.903 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 37' ' ' LEU . . . . . . . . . . . . . 6.0 tp -54.93 -56.95 13.96 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.17 -0.468 . . . . 74.310000000000002 110.898 -179.977 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 38' ' ' MET . . . . . . . . . . . . . 14.4 ttm -69.77 -26.8 64.46 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.176 -0.465 . . . . 74.109999999999999 110.925 179.781 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 39' ' ' LYS . . . . . . . . . . . . . 2.7 tttt -54.2 -28.1 38.5 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.185 -0.461 . . . . 72.329999999999998 110.843 -179.96 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 40' ' ' LEU . . . . . . . . . . . . . 8.6 mt -54.37 -41.27 68.99 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.299 -0.41 . . . . 51.539999999999999 110.916 179.875 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 41' ' ' CYS . . . . . . . . . . . . . 12.3 m -73.61 -44.5 56.93 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.177 -0.465 . . . . 73.040000000000006 110.927 179.897 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 42' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -56.05 -24.48 39.95 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.163 -0.471 . . . . 72.450000000000003 110.904 -179.856 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' B' B ' 43' ' ' GLU . . . . . . . . . . . . . 1.9 mm-40 -54.07 -25.32 21.04 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.13 -0.486 . . . . 63.140000000000001 110.954 -179.986 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 44' ' ' ALA . . . . . 0.607 ' HB2' ' CH2' ' A' ' 15' ' ' TRP . . . -51.38 -45.48 62.46 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.126 -0.488 . . . . 74.120000000000005 111.058 179.915 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' B' B ' 45' ' ' ALA . . . . . 0.529 ' HB2' ' HB1' ' B' ' 19' ' ' ALA . . . -75.29 -23.0 57.31 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.224 -0.444 . . . . 41.409999999999997 111.084 -179.992 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' B' B ' 46' ' ' LYS . . . . . . . . . . . . . 8.0 mttp -75.67 -50.8 14.35 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.209 -0.451 . . . . 62.25 110.984 179.938 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 47' ' ' LYS . . . . . 0.526 ' O ' HD23 ' B' ' 51' ' ' LEU . 7.0 mmtp -67.67 -28.33 67.61 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.233 -0.44 . . . . 72.329999999999998 110.93 179.805 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' B' B ' 48' ' ' ALA . . . . . 0.402 ' HB2' ' CG ' ' B' ' 15' ' ' TRP . . . -68.53 -49.6 58.34 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.245 -0.434 . . . . 74.109999999999999 111.079 179.803 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' B' B ' 49' ' ' GLU . . . . . . . . . . . . . 5.7 tt0 -77.07 -27.93 54.44 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.226 -0.443 . . . . 74.299999999999997 110.937 -179.931 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 50' ' ' GLU . . . . . . . . . . . . . 61.8 tt0 -66.63 -51.4 56.64 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.151 -0.477 . . . . 65.030000000000001 110.837 -179.905 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 51' ' ' LEU . . . . . 0.65 HD11 ' CG ' ' B' ' 12' ' ' PHE . 2.0 pp -73.54 -35.14 65.49 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.157 -0.474 . . . . 70.140000000000001 110.942 -179.97 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' B' B ' 52' ' ' PHE . . . . . . . . . . . . . 76.4 t80 -62.29 -24.26 67.19 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.157 -0.474 . . . . 72.120000000000005 110.903 179.91 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 53' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -64.24 -59.46 4.38 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.133 -0.485 . . . . 74.540000000000006 110.874 179.923 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' B' B ' 54' ' ' LEU . . . . . . . . . . . . . 4.5 mm? -75.21 -23.99 57.7 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.213 -0.449 . . . . 72.230000000000004 110.92 179.889 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 55' ' ' ALA . . . . . 0.451 ' O ' HD13 ' B' ' 59' ' ' LEU . . . -55.98 -24.74 40.46 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.204 -0.453 . . . . 71.239999999999995 111.156 179.812 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' B' B ' 56' ' ' GLU . . . . . 0.407 ' HB2' HD12 ' B' ' 62' ' ' LEU . 3.3 mt-10 -78.0 -28.41 49.24 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.228 -0.442 . . . . 75.409999999999997 110.85 -179.907 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' B' B ' 57' ' ' GLU . . . . . . . . . . . . . 2.6 tt0 -65.36 -44.75 86.68 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.224 -0.444 . . . . 74.200000000000003 110.925 -179.967 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 58' ' ' ARG . . . . . . . . . . . . . 1.6 ptt180 -77.98 -29.3 49.63 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.094 -0.503 . . . . 72.239999999999995 110.864 -179.916 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 59' ' ' LEU . . . . . 0.724 HD23 ' HB2' ' B' ' 9' ' ' ALA . 5.1 mp -77.96 -64.43 1.16 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.197 -0.456 . . . . 71.409999999999997 110.924 -179.981 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' B' B ' 60' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -115.93 -79.28 0.58 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.13 -0.487 . . . . 71.519999999999996 110.872 179.86 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' B' B ' 61' ' ' LYS . . . . . . . . . . . . . 6.1 ptmt 178.0 -34.57 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.195 -0.457 . . . . 70.400000000000006 110.891 179.902 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 62' ' ' LEU . . . . . 0.407 HD12 ' HB2' ' B' ' 56' ' ' GLU . 0.4 OUTLIER . . . . . 0 C--N 1.329 -0.311 0 CA-C-N 116.286 -0.415 . . . . 73.400000000000006 110.896 179.862 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 101' ' ' HLT . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.231 0.104 0 CA-C-O 120.907 0.384 . . . . 64.120000000000005 110.873 . . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 59.37 179.0 0.08 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.218 -0.446 . . . . 73.219999999999999 110.915 -179.985 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -173.86 -37.02 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.262 -0.426 . . . . 72.420000000000002 110.91 179.858 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 1.4 pp -81.5 -25.65 35.81 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.169 -0.469 . . . . 72.310000000000002 110.906 179.945 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 25.4 mtt85 -68.93 -24.32 64.27 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.194 -0.457 . . . . 72.219999999999999 110.908 179.968 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -53.68 -26.78 24.27 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.141 -0.481 . . . . 53.25 110.871 -179.924 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 2.9 pp20? -53.1 -36.53 60.82 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.121 -0.491 . . . . 72.150000000000006 110.925 -179.965 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -74.51 -26.55 60.07 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.106 -0.497 . . . . 33.420000000000002 111.111 179.896 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 9' ' ' ALA . . . . . 0.733 ' HB2' HD13 ' A' ' 59' ' ' LEU . . . -55.55 -44.4 76.74 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.264 -0.426 . . . . 62.109999999999999 111.06 179.995 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 24.9 mtpt -55.49 -42.66 74.73 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.262 -0.426 . . . . 42.350000000000001 110.942 179.932 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 14.2 mt -52.72 -40.62 63.2 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.153 -0.476 . . . . 74.129999999999995 110.923 179.92 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 12' ' ' PHE . . . . . 0.542 ' HE2' HD13 ' A' ' 51' ' ' LEU . 3.0 m-30 -74.24 -24.65 59.33 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.186 -0.461 . . . . 73.450000000000003 110.947 179.865 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -53.61 -32.14 49.96 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.15 -0.477 . . . . 64.140000000000001 110.873 -179.943 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 14' ' ' GLU . . . . . 0.743 ' O ' HD12 ' A' ' 18' ' ' LEU . 5.3 mt-10 -75.39 -35.79 61.0 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.123 -0.489 . . . . 72.540000000000006 110.915 -179.921 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 15' ' ' TRP . . . . . 0.524 ' CH2' ' HB2' ' B' ' 44' ' ' ALA . 6.2 t-105 -52.22 -50.54 61.75 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.142 -0.481 . . . . 70.439999999999998 110.997 179.975 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -77.38 -15.18 59.5 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.205 -0.452 . . . . 72.329999999999998 110.855 179.919 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 1.2 tptt -72.82 -57.1 4.33 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.243 -0.435 . . . . 73.530000000000001 110.898 179.858 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 18' ' ' LEU . . . . . 0.743 HD12 ' O ' ' A' ' 14' ' ' GLU . 1.8 mp -54.59 -29.96 53.09 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.222 -0.444 . . . . 73.140000000000001 110.919 179.992 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 19' ' ' ALA . . . . . 0.646 ' HB2' ' HB3' ' A' ' 44' ' ' ALA . . . -66.32 -27.48 67.94 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.222 -0.445 . . . . 64.439999999999998 111.162 179.722 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -73.7 -49.43 25.78 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.197 -0.456 . . . . 72.5 110.887 -179.886 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 1.6 mm-40 -73.11 -50.79 20.84 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.112 -0.495 . . . . 74.219999999999999 110.864 -179.94 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -56.1 -22.83 30.37 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.244 -0.435 . . . . 72.150000000000006 111.074 179.914 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 23' ' ' ALA . . . . . 0.433 ' HB2' ' O ' ' A' ' 19' ' ' ALA . . . -75.67 -54.8 6.4 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.221 -0.445 . . . . 73.329999999999998 111.133 179.947 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -66.59 -29.99 70.17 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.255 -0.429 . . . . 64.200000000000003 110.902 179.905 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 25' ' ' LEU . . . . . 0.644 HD13 HD21 ' B' ' 11' ' ' LEU . 5.4 mt -77.86 -41.85 35.45 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.283 -0.417 . . . . 60.140000000000001 110.926 179.935 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 26' ' ' LEU . . . . . 0.523 HD22 ' HG3' ' A' ' 38' ' ' MET . 5.1 mt -50.78 -49.48 58.14 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.185 -0.461 . . . . 70.329999999999998 110.887 179.941 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 44.1 mt-10 -90.02 11.88 19.32 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.211 -0.449 . . . . 72.129999999999995 110.918 179.897 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . -55.24 -17.99 12.54 Favored Glycine 0 N--CA 1.451 -0.362 0 C-N-CA 120.772 -0.728 . . . . 75.530000000000001 112.484 -179.951 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . 164.04 38.27 0.02 OUTLIER Glycine 0 N--CA 1.45 -0.376 0 C-N-CA 120.736 -0.745 . . . . 71.150000000000006 112.46 -179.962 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . -150.94 90.64 0.13 Allowed Glycine 0 N--CA 1.451 -0.305 0 C-N-CA 120.758 -0.734 . . . . 55.140000000000001 112.445 -179.88 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . -73.69 76.85 0.97 Allowed Glycine 0 N--CA 1.45 -0.375 0 C-N-CA 120.751 -0.738 . . . . 75.209999999999994 112.5 -179.927 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . 106.85 148.79 15.49 Favored Glycine 0 N--CA 1.452 -0.247 0 C-N-CA 120.699 -0.762 . . . . 24.440000000000001 112.473 -179.899 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -132.2 -97.2 0.68 Allowed Glycine 0 N--CA 1.45 -0.369 0 C-N-CA 120.809 -0.71 . . . . 74.430000000000007 112.482 -179.945 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 34' ' ' GLY . . . . . 0.469 ' H ' HD21 ' A' ' 37' ' ' LEU . . . -101.72 -23.5 9.32 Favored Glycine 0 N--CA 1.45 -0.392 0 C-N-CA 120.76 -0.734 . . . . 51.439999999999998 112.505 -179.914 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 153.75 -125.04 1.67 Allowed Glycine 0 N--CA 1.451 -0.304 0 C-N-CA 120.792 -0.718 . . . . 75.129999999999995 112.527 -179.879 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 27.3 tp10 -77.35 -21.36 53.48 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-O 120.849 0.357 . . . . 73.430000000000007 110.876 -179.908 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 37' ' ' LEU . . . . . 0.598 HD23 ' H ' ' A' ' 38' ' ' MET . 1.5 pt? -50.18 -30.55 11.67 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.157 -0.474 . . . . 72.430000000000007 110.872 -179.96 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 38' ' ' MET . . . . . 0.598 ' H ' HD23 ' A' ' 37' ' ' LEU . 27.0 ttm -69.86 -51.12 35.98 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.163 -0.471 . . . . 61.109999999999999 110.91 179.848 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 10.1 tttt -65.7 -27.67 68.51 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.206 -0.452 . . . . 72.230000000000004 110.919 179.969 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 1.8 mt -53.75 -36.2 62.06 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.177 -0.465 . . . . 72.310000000000002 110.919 179.908 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 41' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -75.34 -53.74 8.23 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.15 -0.477 . . . . 44.310000000000002 110.883 179.882 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 9.3 tm-20 -53.25 -24.96 12.6 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.21 -0.45 . . . . 64.340000000000003 110.892 -179.883 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 2.1 mt-10 -59.88 -18.13 42.22 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.197 -0.456 . . . . 73.120000000000005 110.873 -179.95 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 44' ' ' ALA . . . . . 0.665 ' HB2' ' CZ3' ' B' ' 15' ' ' TRP . . . -50.89 -50.2 57.74 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.171 -0.468 . . . . 75.299999999999997 111.097 179.922 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -69.31 -22.86 63.75 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.28 -0.418 . . . . 71.150000000000006 111.097 179.965 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -76.24 -52.7 9.48 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.185 -0.461 . . . . 71.349999999999994 110.926 179.937 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 7.8 mmtm -73.33 -24.47 60.37 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.198 -0.456 . . . . 73.540000000000006 110.913 179.827 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -59.5 -50.81 72.48 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.201 -0.454 . . . . 60.020000000000003 111.079 179.853 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -67.9 -27.82 66.98 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.268 -0.424 . . . . 71.349999999999994 110.824 -179.881 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -74.04 -49.01 26.14 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.179 -0.464 . . . . 63.240000000000002 110.867 -179.836 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 51' ' ' LEU . . . . . 0.542 HD13 ' HE2' ' A' ' 12' ' ' PHE . 3.6 pp -73.35 -41.25 63.68 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.189 -0.46 . . . . 72.25 110.942 179.985 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 52' ' ' PHE . . . . . 0.505 ' HA ' ' HB3' ' A' ' 55' ' ' ALA . 74.9 t80 -53.48 -27.74 26.84 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.144 -0.48 . . . . 73.230000000000004 110.898 179.982 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -51.72 -60.74 2.82 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.174 -0.466 . . . . 74.439999999999998 110.896 179.907 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 54' ' ' LEU . . . . . . . . . . . . . 4.5 mm? -77.45 -27.08 52.02 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.206 -0.452 . . . . 71.439999999999998 110.908 179.956 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 55' ' ' ALA . . . . . 0.505 ' HB3' ' HA ' ' A' ' 52' ' ' PHE . . . -53.63 -37.13 62.77 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.159 -0.473 . . . . 74.209999999999994 111.102 179.845 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 56' ' ' GLU . . . . . 0.405 ' CB ' HD12 ' A' ' 62' ' ' LEU . 3.2 pt-20 -67.31 -26.47 66.53 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.175 -0.466 . . . . 75.530000000000001 110.885 -179.919 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 6.4 tp10 -68.75 -50.23 52.22 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.142 -0.481 . . . . 71.319999999999993 110.919 -179.929 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -78.9 -13.67 59.67 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.06 -0.518 . . . . 75.430000000000007 110.858 -179.893 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 59' ' ' LEU . . . . . 0.733 HD13 ' HB2' ' A' ' 9' ' ' ALA . 34.6 mt -93.38 -68.62 0.79 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.233 -0.439 . . . . 74.329999999999998 110.866 -179.971 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -119.7 -81.99 0.64 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.206 -0.452 . . . . 74.439999999999998 110.902 179.902 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 179.18 -68.92 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.214 -0.448 . . . . 72.319999999999993 110.846 179.803 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 62' ' ' LEU . . . . . 0.405 HD12 ' CB ' ' A' ' 56' ' ' GLU . 17.9 mt . . . . . 0 C--N 1.328 -0.335 0 CA-C-N 116.193 -0.458 . . . . 63.130000000000003 110.923 179.932 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 1' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.232 0.172 0 CA-C-O 120.787 0.327 . . . . 71.310000000000002 110.818 . . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 2' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 59.59 179.31 0.08 Allowed 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.232 -0.44 . . . . 72.329999999999998 110.89 179.928 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' B' B ' 3' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -173.83 -37.11 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.203 -0.453 . . . . 62.420000000000002 110.921 179.853 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' B' B ' 4' ' ' LEU . . . . . . . . . . . . . 1.4 pp -81.38 -25.68 36.08 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.183 -0.462 . . . . 71.230000000000004 110.899 179.93 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 5' ' ' ARG . . . . . . . . . . . . . 26.0 mtt85 -69.54 -24.69 63.76 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.178 -0.464 . . . . 70.409999999999997 110.895 179.977 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 6' ' ' GLU . . . . . 0.479 ' HA ' HD22 ' B' ' 59' ' ' LEU . 0.1 OUTLIER -53.64 -27.92 30.04 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.168 -0.469 . . . . 74.219999999999999 110.853 -179.924 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' B' B ' 7' ' ' GLU . . . . . . . . . . . . . 2.9 pp20? -53.74 -35.68 61.49 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.118 -0.492 . . . . 74.239999999999995 110.925 -179.941 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 8' ' ' ALA . . . . . . . . . . . . . . . -74.71 -26.81 60.07 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.107 -0.497 . . . . 73.329999999999998 111.099 179.931 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 9' ' ' ALA . . . . . 0.911 ' HB2' HD13 ' B' ' 59' ' ' LEU . . . -56.7 -45.56 81.73 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.213 -0.448 . . . . 61.439999999999998 111.065 179.954 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' B' B ' 10' ' ' LYS . . . . . . . . . . . . . 24.9 mtpt -55.83 -41.53 74.4 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.183 -0.462 . . . . 62.530000000000001 110.918 -179.992 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 11' ' ' LEU . . . . . 0.644 HD21 HD13 ' A' ' 25' ' ' LEU . 18.2 mt -51.81 -44.61 63.56 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.266 -0.425 . . . . 52.130000000000003 110.926 179.885 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' B' B ' 12' ' ' PHE . . . . . . . . . . . . . 5.0 m-85 -74.24 -21.92 59.57 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.133 -0.485 . . . . 73.340000000000003 110.903 179.928 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 13' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -60.69 -49.35 77.87 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.146 -0.479 . . . . 73.349999999999994 110.832 -179.872 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' B' B ' 14' ' ' GLU . . . . . 0.648 ' O ' HD12 ' B' ' 18' ' ' LEU . 7.3 mt-10 -64.75 -34.76 79.09 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.152 -0.476 . . . . 62.329999999999998 110.919 -179.912 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' B' B ' 15' ' ' TRP . . . . . 0.665 ' CZ3' ' HB2' ' A' ' 44' ' ' ALA . 9.8 t-105 -52.7 -53.8 42.51 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.179 -0.464 . . . . 72.340000000000003 110.894 -179.971 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' B' B ' 16' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -78.37 -14.78 59.24 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.202 -0.454 . . . . 74.450000000000003 110.901 179.92 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' B' B ' 17' ' ' LYS . . . . . . . . . . . . . 1.5 tptt -68.31 -62.87 1.2 Allowed 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.239 -0.437 . . . . 72.420000000000002 110.924 179.885 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 18' ' ' LEU . . . . . 0.73 HD13 HD11 ' A' ' 18' ' ' LEU . 3.7 mp -56.28 -29.2 60.85 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.193 -0.458 . . . . 64.299999999999997 110.888 179.919 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' B' B ' 19' ' ' ALA . . . . . 0.647 ' CB ' ' HB2' ' B' ' 45' ' ' ALA . . . -67.99 -14.94 63.36 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.187 -0.461 . . . . 73.129999999999995 111.119 179.769 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' B' B ' 20' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -71.31 -49.18 45.37 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.236 -0.438 . . . . 64.200000000000003 110.904 -179.95 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' B' B ' 21' ' ' GLU . . . . . . . . . . . . . 1.6 mm-40 -66.86 -51.59 53.71 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.135 -0.484 . . . . 64.420000000000002 110.875 -179.922 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 22' ' ' ALA . . . . . 0.445 ' O ' HD12 ' B' ' 26' ' ' LEU . . . -58.95 -22.98 61.02 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.166 -0.47 . . . . 73.230000000000004 111.054 179.93 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' B' B ' 23' ' ' ALA . . . . . . . . . . . . . . . -76.33 -54.79 6.26 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.249 -0.432 . . . . 51.32 111.129 179.971 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 24' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -65.17 -30.72 71.66 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.187 -0.461 . . . . 73.0 110.899 179.981 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' B' B ' 25' ' ' LEU . . . . . . . . . . . . . 6.8 mt -77.88 -41.7 35.83 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.21 -0.45 . . . . 72.150000000000006 110.872 179.938 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 26' ' ' LEU . . . . . 0.583 HD13 ' HA ' ' B' ' 39' ' ' LYS . 2.6 mt -50.81 -48.6 59.68 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.211 -0.449 . . . . 32.539999999999999 110.89 179.939 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' B' B ' 27' ' ' GLU . . . . . . . . . . . . . 45.5 mt-10 -91.04 12.7 18.97 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.197 -0.456 . . . . 74.239999999999995 110.871 179.926 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 28' ' ' GLY . . . . . . . . . . . . . . . -54.19 -18.76 10.03 Favored Glycine 0 N--CA 1.451 -0.323 0 C-N-CA 120.693 -0.765 . . . . 24.23 112.466 -179.957 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 29' ' ' GLY . . . . . . . . . . . . . . . 168.42 46.53 0.03 OUTLIER Glycine 0 N--CA 1.452 -0.247 0 C-N-CA 120.704 -0.76 . . . . 64.430000000000007 112.46 -179.954 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 30' ' ' GLY . . . . . . . . . . . . . . . -146.79 90.8 0.15 Allowed Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.767 -0.73 . . . . 63.219999999999999 112.5 -179.93 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 31' ' ' GLY . . . . . . . . . . . . . . . -84.61 52.02 4.64 Favored Glycine 0 N--CA 1.452 -0.3 0 C-N-CA 120.748 -0.739 . . . . 52.229999999999997 112.466 -179.927 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 32' ' ' GLY . . . . . . . . . . . . . . . 85.92 115.83 0.88 Allowed Glycine 0 N--CA 1.451 -0.303 0 C-N-CA 120.691 -0.766 . . . . 43.43 112.551 -179.907 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 33' ' ' GLY . . . . . . . . . . . . . . . -174.94 -113.75 0.34 Allowed Glycine 0 N--CA 1.451 -0.31 0 C-N-CA 120.74 -0.743 . . . . 73.340000000000003 112.439 -179.858 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 34' ' ' GLY . . . . . . . . . . . . . . . -112.24 23.78 15.45 Favored Glycine 0 N--CA 1.452 -0.298 0 C-N-CA 120.681 -0.771 . . . . 54.43 112.421 -179.876 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 35' ' ' GLY . . . . . 0.585 ' C ' HD23 ' B' ' 37' ' ' LEU . . . -158.15 -38.94 0.02 OUTLIER Glycine 0 N--CA 1.453 -0.205 0 C-N-CA 120.722 -0.752 . . . . 42.329999999999998 112.464 -179.957 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' B' B ' 36' ' ' GLU . . . . . . . . . . . . . 33.0 tp10 -51.67 -26.4 9.09 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.842 0.353 . . . . 74.109999999999999 110.856 -179.853 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 37' ' ' LEU . . . . . 0.585 HD23 ' C ' ' B' ' 35' ' ' GLY . 2.3 pt? -52.15 -26.36 11.18 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.138 -0.483 . . . . 73.409999999999997 110.879 -179.955 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' B' B ' 38' ' ' MET . . . . . 0.583 ' HG2' HD21 ' B' ' 26' ' ' LEU . 33.2 ttm -56.74 -22.56 36.47 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.22 -0.445 . . . . 73.340000000000003 110.949 179.816 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' B' B ' 39' ' ' LYS . . . . . 0.583 ' HA ' HD13 ' B' ' 26' ' ' LEU . 10.7 tttt -52.02 -26.31 10.51 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.189 -0.459 . . . . 63.009999999999998 110.896 179.95 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' B' B ' 40' ' ' LEU . . . . . . . . . . . . . 1.8 mt -51.77 -33.06 33.52 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.191 -0.459 . . . . 74.540000000000006 110.918 179.946 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 41' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -75.54 -36.99 60.34 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.221 -0.445 . . . . 64.129999999999995 110.865 179.913 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' B' B ' 42' ' ' GLU . . . . . . . . . . . . . 9.1 tm-20 -52.73 -24.06 7.97 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.159 -0.473 . . . . 72.120000000000005 110.935 -179.849 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 43' ' ' GLU . . . . . . . . . . . . . 2.2 mt-10 -54.54 -21.17 9.45 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.174 -0.466 . . . . 65.530000000000001 110.87 -179.948 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 44' ' ' ALA . . . . . 0.524 ' HB2' ' CH2' ' A' ' 15' ' ' TRP . . . -50.61 -46.47 58.04 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.205 -0.452 . . . . 61.450000000000003 111.1 179.964 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' B' B ' 45' ' ' ALA . . . . . 0.647 ' HB2' ' CB ' ' B' ' 19' ' ' ALA . . . -71.98 -23.04 61.36 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.225 -0.443 . . . . 54.229999999999997 111.103 179.899 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' B' B ' 46' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -66.35 -48.61 69.65 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.22 -0.446 . . . . 65.019999999999996 110.858 179.999 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' B' B ' 47' ' ' LYS . . . . . . . . . . . . . 7.8 mmtm -74.15 -30.58 62.34 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.173 -0.467 . . . . 65.319999999999993 110.934 179.858 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 48' ' ' ALA . . . . . . . . . . . . . . . -62.35 -44.79 95.66 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.24 -0.436 . . . . 50.020000000000003 111.092 179.877 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 49' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -66.83 -28.11 68.09 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.222 -0.444 . . . . 71.030000000000001 110.891 -179.947 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' B' B ' 50' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -73.96 -48.96 26.88 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.138 -0.483 . . . . 63.420000000000002 110.846 -179.95 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' B' B ' 51' ' ' LEU . . . . . 0.471 HD12 ' N ' ' B' ' 52' ' ' PHE . 4.0 pp -72.86 -33.94 66.42 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.197 -0.456 . . . . 73.420000000000002 110.949 -179.954 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' B' B ' 52' ' ' PHE . . . . . 0.471 ' N ' HD12 ' B' ' 51' ' ' LEU . 79.6 t80 -53.86 -27.64 31.2 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.19 -0.459 . . . . 74.239999999999995 110.914 179.931 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' B' B ' 53' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -51.99 -59.13 4.7 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.111 -0.495 . . . . 72.120000000000005 110.902 179.952 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' B' B ' 54' ' ' LEU . . . . . . . . . . . . . 4.5 mm? -75.29 -23.39 57.38 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.272 -0.422 . . . . 74.040000000000006 110.966 179.882 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 55' ' ' ALA . . . . . . . . . . . . . . . -53.93 -35.19 61.42 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.158 -0.474 . . . . 45.109999999999999 111.112 179.752 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 56' ' ' GLU . . . . . . . . . . . . . 3.7 pt-20 -68.81 -26.11 65.01 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.162 -0.472 . . . . 73.299999999999997 110.934 -179.907 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 57' ' ' GLU . . . . . . . . . . . . . 6.4 tp10 -68.36 -50.03 55.99 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.142 -0.481 . . . . 65.239999999999995 110.919 -179.964 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 58' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -78.98 -13.83 59.56 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.147 -0.479 . . . . 74.019999999999996 110.837 -179.928 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' B' B ' 59' ' ' LEU . . . . . 0.911 HD13 ' HB2' ' B' ' 9' ' ' ALA . 32.5 mt -93.04 -67.69 0.84 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.217 -0.447 . . . . 74.209999999999994 110.926 -179.963 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' B' B ' 60' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -119.27 -81.49 0.63 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.194 -0.457 . . . . 64.340000000000003 110.925 179.804 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' B' B ' 61' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 178.49 -69.84 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.203 -0.453 . . . . 54.130000000000003 110.919 179.859 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' B' B ' 62' ' ' LEU . . . . . . . . . . . . . 16.2 mt . . . . . 0 C--N 1.328 -0.33 0 CA-C-N 116.256 -0.429 . . . . 62.25 110.918 179.894 . . . . . . . . 0 0 . 1 . 018 nuclear nobuild full ' A' A ' 101' ' ' HLT . . . . . 0.685 'CL ' HD13 ' A' ' 18' ' ' LEU . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 7.6 mtt . . . . . 0 C--O 1.232 0.175 0 CA-C-O 120.799 0.333 . . . . 75.109999999999999 110.872 . . . . . . . . . 0 0 . 1 . 019 nuclear nobuild full ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 63.9 158.25 0.08 Allowed 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 116.307 -0.406 . . . . 61.200000000000003 110.851 179.957 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -179.65 -34.84 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.132 -0.485 . . . . 75.140000000000001 110.894 179.858 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 4.2 mm? -51.39 -64.77 0.71 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.125 -0.489 . . . . 71.140000000000001 110.898 179.929 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 5' ' ' ARG . . . . . 0.452 ' C ' HD12 ' A' ' 59' ' ' LEU . 1.7 ptp180 -72.22 -37.87 69.12 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.264 -0.426 . . . . 72.409999999999997 110.943 179.947 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 6' ' ' GLU . . . . . 0.518 ' N ' HD12 ' A' ' 59' ' ' LEU . 1.5 tm-20 -53.43 -28.61 30.91 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.191 -0.459 . . . . 65.019999999999996 110.912 -179.992 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 1.2 mm-40 -55.54 -30.04 60.04 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.14 -0.482 . . . . 74.230000000000004 110.922 179.992 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -76.11 -29.21 57.78 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.125 -0.488 . . . . 72.109999999999999 111.157 179.909 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 9' ' ' ALA . . . . . 0.675 ' HB2' ' HG ' ' A' ' 59' ' ' LEU . . . -69.52 -37.14 77.0 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.225 -0.443 . . . . 60.119999999999997 111.122 179.904 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 12.6 mtmt -56.19 -26.39 50.59 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.138 -0.483 . . . . 65.109999999999999 110.918 179.937 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 65.0 mt -52.27 -45.57 65.49 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.213 -0.449 . . . . 43.229999999999997 110.864 -179.97 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 23.5 m-85 -73.48 -27.28 61.31 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.217 -0.447 . . . . 75.109999999999999 110.868 179.956 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 1.6 tt0 -58.46 -37.15 74.87 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.159 -0.473 . . . . 65.430000000000007 110.834 -179.898 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 8.1 mt-10 -74.93 -34.91 62.18 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.167 -0.469 . . . . 73.209999999999994 110.893 -179.926 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 15' ' ' TRP . . . . . . . . . . . . . 19.4 m0 -53.91 -54.86 32.81 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.178 -0.465 . . . . 74.540000000000006 110.885 -179.993 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -69.95 -24.42 63.34 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.228 -0.442 . . . . 73.230000000000004 110.96 179.903 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -69.85 -52.64 23.2 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.172 -0.467 . . . . 63.539999999999999 110.901 179.823 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 4.5 mt -54.93 -35.03 63.77 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.17 -0.468 . . . . 65.319999999999993 110.905 179.89 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -61.12 -33.73 73.85 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.225 -0.443 . . . . 74.109999999999999 111.084 179.859 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 1.8 mt-10 -57.58 -49.34 76.71 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.233 -0.439 . . . . 73.219999999999999 110.838 -179.89 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -73.94 -49.58 24.03 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.142 -0.481 . . . . 54.310000000000002 110.879 -179.899 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -55.7 -30.86 61.82 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.122 -0.49 . . . . 52.420000000000002 111.099 179.96 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -71.01 -54.23 11.96 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.134 -0.485 . . . . 40.25 111.189 179.892 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -62.94 -34.8 78.25 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.18 -0.464 . . . . 75.530000000000001 110.944 179.901 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 25' ' ' LEU . . . . . 0.425 HD23 ' HA ' ' A' ' 25' ' ' LEU . 6.4 mt -76.58 -39.03 53.89 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.218 -0.447 . . . . 61.039999999999999 110.984 179.91 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 3.4 mt -50.6 -50.09 54.9 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.137 -0.483 . . . . 45.409999999999997 110.886 179.859 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 22.1 mt-10 -91.03 12.26 20.35 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.169 -0.468 . . . . 73.340000000000003 110.828 179.989 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . -59.44 -14.46 27.49 Favored Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 120.74 -0.743 . . . . 64.109999999999999 112.487 -179.988 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . 135.43 46.01 0.09 OUTLIER Glycine 0 N--CA 1.452 -0.291 0 C-N-CA 120.703 -0.76 . . . . 73.200000000000003 112.486 -179.869 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . -173.03 -55.58 0.05 OUTLIER Glycine 0 N--CA 1.452 -0.243 0 C-N-CA 120.738 -0.744 . . . . 61.240000000000002 112.489 -179.929 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . -56.22 122.38 27.51 Favored Glycine 0 N--CA 1.452 -0.25 0 C-N-CA 120.714 -0.755 . . . . 34.020000000000003 112.499 -179.929 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . -70.99 -119.58 0.05 OUTLIER Glycine 0 N--CA 1.453 -0.227 0 C-N-CA 120.742 -0.742 . . . . 42.350000000000001 112.474 -179.946 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . 93.67 -123.65 7.51 Favored Glycine 0 N--CA 1.451 -0.34 0 C-N-CA 120.755 -0.736 . . . . 74.349999999999994 112.521 -179.819 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 56.94 89.95 0.01 OUTLIER Glycine 0 N--CA 1.451 -0.339 0 C-N-CA 120.774 -0.727 . . . . 61.240000000000002 112.493 -179.877 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 136.7 -168.62 24.16 Favored Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.736 -0.745 . . . . 71.340000000000003 112.484 -179.88 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 16.7 tt0 -54.24 -31.69 54.07 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.847 0.356 . . . . 75.420000000000002 110.886 -179.858 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 37' ' ' LEU . . . . . 0.549 HD12 HD23 ' B' ' 51' ' ' LEU . 33.1 tp -61.46 -57.81 10.69 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.198 -0.455 . . . . 61.520000000000003 110.939 -179.99 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 38' ' ' MET . . . . . . . . . . . . . 1.0 OUTLIER -63.67 -25.67 68.32 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.247 -0.433 . . . . 74.340000000000003 110.876 179.747 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -56.43 -27.89 57.92 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.266 -0.425 . . . . 71.299999999999997 110.912 179.975 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 40' ' ' LEU . . . . . 0.79 ' HB2' HD21 ' B' ' 51' ' ' LEU . 11.4 mt -73.75 -28.44 61.69 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.218 -0.446 . . . . 74.219999999999999 110.956 179.886 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 41' ' ' CYS . . . . . . . . . . . . . 36.4 t -65.36 -38.89 91.46 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.149 -0.478 . . . . 72.019999999999996 110.895 179.964 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -72.8 -26.08 61.38 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.189 -0.46 . . . . 75.530000000000001 110.86 -179.897 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 4.6 mm-40 -59.47 -30.02 68.22 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.148 -0.478 . . . . 74.340000000000003 110.913 -179.951 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -51.94 -43.41 63.47 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.213 -0.449 . . . . 74.310000000000002 111.06 179.933 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -75.15 -23.09 57.75 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.29 -0.413 . . . . 64.0 111.088 179.95 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -71.88 -46.48 57.69 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.221 -0.445 . . . . 73.109999999999999 110.825 179.969 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 47' ' ' LYS . . . . . 0.698 ' CG ' HD22 ' B' ' 40' ' ' LEU . 0.0 OUTLIER -65.25 -56.53 12.24 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.249 -0.432 . . . . 64.129999999999995 110.893 179.914 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -52.89 -46.32 67.93 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.244 -0.435 . . . . 70.109999999999999 111.147 179.799 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 4.1 tt0 -67.28 -42.54 83.64 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.218 -0.446 . . . . 73.040000000000006 110.952 -179.995 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 1.4 mt-10 -59.49 -49.17 78.81 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.121 -0.49 . . . . 73.129999999999995 110.91 -179.962 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 51' ' ' LEU . . . . . 0.781 HD21 ' HB2' ' B' ' 40' ' ' LEU . 1.5 mt -69.91 -43.69 71.2 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.192 -0.458 . . . . 71.400000000000006 110.949 179.958 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 52' ' ' PHE . . . . . . . . . . . . . 16.5 t80 -60.88 -36.71 79.91 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.16 -0.473 . . . . 73.540000000000006 110.896 179.922 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 30.0 tptt -52.19 -58.14 7.52 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.101 -0.5 . . . . 74.450000000000003 110.906 -179.955 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 54' ' ' LEU . . . . . . . . . . . . . 19.0 mt -74.86 -23.51 58.43 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.216 -0.447 . . . . 73.200000000000003 110.959 179.867 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -57.16 -35.55 69.68 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.179 -0.464 . . . . 71.420000000000002 111.089 179.806 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 56' ' ' GLU . . . . . 0.668 ' HB3' HD11 ' A' ' 62' ' ' LEU . 19.9 mt-10 -57.08 -22.67 41.16 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.171 -0.468 . . . . 72.319999999999993 110.848 -179.887 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 52.8 tp10 -72.87 -54.37 8.93 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.131 -0.486 . . . . 64.219999999999999 110.879 -179.854 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -77.36 -22.64 51.43 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.139 -0.482 . . . . 75.239999999999995 110.923 -179.962 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 59' ' ' LEU . . . . . 0.675 ' HG ' ' HB2' ' A' ' 9' ' ' ALA . 3.7 mm? -112.91 -173.93 2.35 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.11 -0.496 . . . . 71.450000000000003 110.879 -179.961 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 2.7 mtpm? 51.33 -169.5 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.146 -0.479 . . . . 61.149999999999999 110.927 179.874 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -121.0 -29.42 4.59 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.26 -0.427 . . . . 65.230000000000004 110.888 179.898 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 62' ' ' LEU . . . . . 0.668 HD11 ' HB3' ' A' ' 56' ' ' GLU . 3.8 pp . . . . . 0 C--N 1.328 -0.345 0 CA-C-N 116.244 -0.434 . . . . 75.319999999999993 110.876 179.921 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 1' ' ' MET . . . . . . . . . . . . . 7.7 mtt . . . . . 0 C--O 1.23 0.069 0 CA-C-O 120.869 0.366 . . . . 71.019999999999996 110.909 . . . . . . . . . 0 0 . 1 . 019 nuclear nobuild full ' B' B ' 2' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 63.39 160.4 0.09 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.181 -0.463 . . . . 73.540000000000006 110.914 179.984 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' B' B ' 3' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -178.45 -37.22 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.201 -0.454 . . . . 74.129999999999995 110.944 179.926 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' B' B ' 4' ' ' LEU . . . . . . . . . . . . . 4.1 mm? -52.49 -62.55 1.57 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.093 -0.503 . . . . 75.230000000000004 110.945 179.905 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 5' ' ' ARG . . . . . 0.456 ' C ' HD12 ' B' ' 59' ' ' LEU . 1.6 ptp180 -70.86 -35.75 72.53 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.142 -0.481 . . . . 72.319999999999993 110.884 179.935 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' B' B ' 6' ' ' GLU . . . . . 0.551 ' N ' HD12 ' B' ' 59' ' ' LEU . 1.4 tm-20 -53.77 -26.65 24.61 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.207 -0.451 . . . . 71.540000000000006 110.878 -179.961 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' B' B ' 7' ' ' GLU . . . . . . . . . . . . . 1.2 mm-40 -53.59 -28.44 32.28 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.141 -0.482 . . . . 71.329999999999998 110.861 -179.907 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 8' ' ' ALA . . . . . . . . . . . . . . . -76.06 -30.76 58.49 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.145 -0.479 . . . . 52.009999999999998 111.102 179.927 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 9' ' ' ALA . . . . . . . . . . . . . . . -71.57 -36.19 70.82 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.251 -0.431 . . . . 44.299999999999997 111.118 179.938 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 10' ' ' LYS . . . . . . . . . . . . . 13.1 mtmt -55.84 -25.05 40.19 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.192 -0.458 . . . . 71.430000000000007 110.899 179.953 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 11' ' ' LEU . . . . . . . . . . . . . 66.2 mt -51.82 -44.89 63.71 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.205 -0.452 . . . . 74.200000000000003 110.981 179.874 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 12' ' ' PHE . . . . . . . . . . . . . 23.4 m-85 -74.04 -28.18 61.29 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.202 -0.454 . . . . 63.229999999999997 110.901 179.918 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 13' ' ' GLU . . . . . . . . . . . . . 1.6 tt0 -57.71 -36.69 72.34 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.167 -0.469 . . . . 73.519999999999996 110.927 -179.966 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 14' ' ' GLU . . . . . . . . . . . . . 8.3 mt-10 -75.09 -35.2 61.8 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.13 -0.487 . . . . 42.109999999999999 110.923 -179.97 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 15' ' ' TRP . . . . . . . . . . . . . 19.4 m0 -53.94 -54.38 39.63 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.128 -0.487 . . . . 71.549999999999997 110.908 -179.939 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 16' ' ' LYS . . . . . 0.486 ' HB3' ' HB3' ' B' ' 48' ' ' ALA . 0.2 OUTLIER -69.23 -24.33 63.99 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.255 -0.429 . . . . 64.310000000000002 110.939 179.92 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' B' B ' 17' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -70.81 -52.49 20.18 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.147 -0.479 . . . . 72.349999999999994 110.877 179.835 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' B' B ' 18' ' ' LEU . . . . . . . . . . . . . 4.5 mt -54.78 -35.05 63.41 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.274 -0.421 . . . . 74.109999999999999 110.902 179.904 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 19' ' ' ALA . . . . . . . . . . . . . . . -61.46 -34.07 74.82 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.216 -0.447 . . . . 64.430000000000007 111.056 179.864 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 20' ' ' GLU . . . . . . . . . . . . . 1.9 mt-10 -57.52 -49.26 76.9 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.182 -0.463 . . . . 72.140000000000001 110.93 -179.954 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 21' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -73.65 -49.89 23.73 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.126 -0.488 . . . . 65.549999999999997 110.891 -179.922 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' B' B ' 22' ' ' ALA . . . . . . . . . . . . . . . -55.54 -30.91 61.58 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.162 -0.472 . . . . 74.420000000000002 111.114 179.943 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 23' ' ' ALA . . . . . . . . . . . . . . . -71.08 -54.32 11.55 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.229 -0.442 . . . . 75.319999999999993 111.079 179.969 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 24' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -62.92 -34.75 78.11 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.22 -0.445 . . . . 74.409999999999997 110.945 179.916 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' B' B ' 25' ' ' LEU . . . . . . . . . . . . . 6.4 mt -76.64 -38.91 53.86 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.246 -0.434 . . . . 75.5 110.954 179.872 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 26' ' ' LEU . . . . . . . . . . . . . 3.4 mt -50.6 -50.11 54.85 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.195 -0.457 . . . . 71.329999999999998 110.974 179.807 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 27' ' ' GLU . . . . . . . . . . . . . 22.0 mt-10 -91.16 12.41 20.15 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.217 -0.447 . . . . 70.140000000000001 110.861 179.934 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 28' ' ' GLY . . . . . . . . . . . . . . . -59.63 -14.43 28.77 Favored Glycine 0 N--CA 1.452 -0.26 0 C-N-CA 120.647 -0.787 . . . . 70.219999999999999 112.444 -179.935 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 29' ' ' GLY . . . . . . . . . . . . . . . 135.46 46.57 0.09 OUTLIER Glycine 0 N--CA 1.45 -0.392 0 C-N-CA 120.759 -0.734 . . . . 72.420000000000002 112.521 -179.889 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 30' ' ' GLY . . . . . . . . . . . . . . . -172.67 -55.92 0.05 OUTLIER Glycine 0 N--CA 1.451 -0.333 0 C-N-CA 120.702 -0.761 . . . . 60.420000000000002 112.475 -179.861 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 31' ' ' GLY . . . . . . . . . . . . . . . -56.56 122.8 29.58 Favored Glycine 0 N--CA 1.452 -0.289 0 C-N-CA 120.739 -0.743 . . . . 64.310000000000002 112.481 -179.855 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 32' ' ' GLY . . . . . . . . . . . . . . . -70.68 -119.56 0.04 OUTLIER Glycine 0 N--CA 1.45 -0.376 0 C-N-CA 120.75 -0.738 . . . . 71.430000000000007 112.501 -179.848 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 33' ' ' GLY . . . . . . . . . . . . . . . 93.75 -123.49 7.46 Favored Glycine 0 N--CA 1.452 -0.282 0 C-N-CA 120.689 -0.767 . . . . 72.239999999999995 112.473 -179.945 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 34' ' ' GLY . . . . . . . . . . . . . . . 57.33 90.08 0.01 OUTLIER Glycine 0 N--CA 1.451 -0.366 0 C-N-CA 120.752 -0.737 . . . . 43.219999999999999 112.463 -179.926 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 35' ' ' GLY . . . . . . . . . . . . . . . 136.65 -169.09 23.97 Favored Glycine 0 N--CA 1.452 -0.25 0 C-N-CA 120.708 -0.758 . . . . 63.420000000000002 112.434 -179.92 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 36' ' ' GLU . . . . . . . . . . . . . 16.8 tt0 -54.66 -32.5 59.31 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-O 120.891 0.377 . . . . 61.020000000000003 110.873 -179.902 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 37' ' ' LEU . . . . . 0.575 HD12 HD23 ' A' ' 51' ' ' LEU . 31.9 tp -61.71 -57.48 11.77 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.18 -0.464 . . . . 62.200000000000003 110.906 -179.954 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' B' B ' 38' ' ' MET . . . . . . . . . . . . . 1.0 OUTLIER -62.62 -25.7 68.24 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.199 -0.455 . . . . 73.319999999999993 110.816 179.905 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' B' B ' 39' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -56.4 -28.0 58.03 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.246 -0.433 . . . . 64.519999999999996 110.951 179.943 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' B' B ' 40' ' ' LEU . . . . . 0.781 ' HB2' HD21 ' A' ' 51' ' ' LEU . 12.0 mt -71.79 -28.77 63.83 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.13 -0.486 . . . . 73.040000000000006 110.969 179.867 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' B' B ' 41' ' ' CYS . . . . . . . . . . . . . 36.4 t -65.48 -39.42 91.91 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.139 -0.482 . . . . 73.319999999999993 110.842 179.998 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 42' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -73.04 -26.38 61.28 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.171 -0.468 . . . . 72.239999999999995 110.825 -179.832 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' B' B ' 43' ' ' GLU . . . . . . . . . . . . . 4.6 mm-40 -59.64 -30.27 68.61 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.214 -0.448 . . . . 70.239999999999995 110.833 -179.871 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 44' ' ' ALA . . . . . . . . . . . . . . . -51.96 -43.53 63.57 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.196 -0.456 . . . . 74.019999999999996 111.07 179.922 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 45' ' ' ALA . . . . . . . . . . . . . . . -74.93 -23.11 58.27 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.195 -0.457 . . . . 63.439999999999998 111.067 179.984 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 46' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -71.9 -47.16 54.6 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.235 -0.439 . . . . 43.119999999999997 110.867 -179.974 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' B' B ' 47' ' ' LYS . . . . . 0.695 ' CG ' HD22 ' A' ' 40' ' ' LEU . 0.0 OUTLIER -65.06 -56.32 13.73 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.226 -0.443 . . . . 53.299999999999997 110.845 179.918 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' B' B ' 48' ' ' ALA . . . . . 0.486 ' HB3' ' HB3' ' B' ' 16' ' ' LYS . . . -52.84 -46.14 67.68 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.194 -0.457 . . . . 64.239999999999995 111.038 179.861 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' B' B ' 49' ' ' GLU . . . . . . . . . . . . . 4.1 tt0 -67.46 -42.96 82.19 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.295 -0.412 . . . . 72.450000000000003 110.868 -179.881 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 50' ' ' GLU . . . . . . . . . . . . . 1.5 mt-10 -60.31 -48.72 80.56 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.161 -0.472 . . . . 73.349999999999994 110.879 -179.951 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 51' ' ' LEU . . . . . 0.79 HD21 ' HB2' ' A' ' 40' ' ' LEU . 1.5 mt -69.63 -42.21 74.61 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 116.191 -0.458 . . . . 63.140000000000001 110.927 -179.997 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' B' B ' 52' ' ' PHE . . . . . . . . . . . . . 15.5 t80 -58.99 -36.66 75.26 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.215 -0.448 . . . . 63.100000000000001 110.855 179.957 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 53' ' ' LYS . . . . . . . . . . . . . 29.3 tptt -52.03 -59.36 4.44 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.147 -0.479 . . . . 61.299999999999997 110.864 179.992 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 54' ' ' LEU . . . . . . . . . . . . . 19.2 mt -75.7 -22.86 56.22 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.255 -0.429 . . . . 71.109999999999999 110.916 179.965 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 55' ' ' ALA . . . . . . . . . . . . . . . -56.44 -31.72 64.22 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.194 -0.457 . . . . 61.219999999999999 111.147 179.751 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 56' ' ' GLU . . . . . 0.401 ' CD ' HD21 ' B' ' 62' ' ' LEU . 25.6 mt-10 -60.02 -39.22 85.1 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.192 -0.458 . . . . 73.420000000000002 110.921 -179.939 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' B' B ' 57' ' ' GLU . . . . . . . . . . . . . 52.9 tp10 -50.36 -56.07 12.92 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.169 -0.468 . . . . 73.439999999999998 110.873 -179.948 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 58' ' ' ARG . . . . . 0.74 ' C ' HD22 ' B' ' 59' ' ' LEU . 0.1 OUTLIER -81.41 -17.77 47.76 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.196 -0.456 . . . . 52.509999999999998 110.911 -179.969 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' B' B ' 59' ' ' LEU . . . . . 0.74 HD22 ' C ' ' B' ' 58' ' ' ARG . 3.4 mm? -136.04 74.11 1.49 Allowed 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.236 -0.438 . . . . 74.510000000000005 110.974 179.986 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' B' B ' 60' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -86.61 145.54 26.69 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.143 -0.48 . . . . 65.430000000000007 110.955 179.836 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' B' B ' 61' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -166.84 -38.46 0.02 OUTLIER 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.291 -0.413 . . . . 63.32 110.872 179.907 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' B' B ' 62' ' ' LEU . . . . . 0.426 ' O ' HD12 ' B' ' 62' ' ' LEU . 2.5 pp . . . . . 0 C--N 1.328 -0.338 0 CA-C-N 116.211 -0.45 . . . . 50.299999999999997 110.868 179.957 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 101' ' ' HLT . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 020 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 6.1 ttm . . . . . 0 C--O 1.231 0.095 0 CA-C-O 120.799 0.333 . . . . 44.530000000000001 110.837 . . . . . . . . . 0 0 . 1 . 020 nuclear nobuild full ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -161.42 154.86 21.48 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.254 -0.43 . . . . 73.219999999999999 110.936 179.934 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 10.9 mtpt -173.73 -39.99 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.27 -0.423 . . . . 73.319999999999993 110.833 179.883 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 4.2 mm? -62.6 -46.5 88.01 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.231 -0.441 . . . . 74.010000000000005 110.948 179.863 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 3.1 ptp180 -71.32 -43.04 67.8 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.171 -0.468 . . . . 63.310000000000002 110.854 179.93 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 6' ' ' GLU . . . . . 0.642 ' HA ' HD22 ' A' ' 59' ' ' LEU . 0.5 OUTLIER -54.07 -29.62 44.96 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.238 -0.437 . . . . 72.230000000000004 110.889 -179.901 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 2.9 mm-40 -64.27 -54.56 31.31 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.167 -0.469 . . . . 74.519999999999996 110.866 -179.878 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -55.27 -27.02 43.64 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.136 -0.484 . . . . 71.430000000000007 111.147 179.898 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -73.72 -40.64 63.42 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.212 -0.449 . . . . 50.32 111.131 179.874 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 4.1 mtmt -58.39 -31.98 68.17 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.215 -0.448 . . . . 74.030000000000001 110.912 179.997 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 55.0 mt -51.69 -43.92 62.93 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.254 -0.43 . . . . 65.349999999999994 110.865 179.936 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 12' ' ' PHE . . . . . 0.569 ' CZ ' HD22 ' A' ' 51' ' ' LEU . 22.1 m-85 -74.15 -27.77 61.0 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.173 -0.467 . . . . 75.140000000000001 110.876 179.992 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 2.7 tt0 -53.74 -27.93 31.39 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.156 -0.474 . . . . 75.040000000000006 110.951 -179.93 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 14' ' ' GLU . . . . . 0.472 ' O ' HD12 ' A' ' 18' ' ' LEU . 11.4 mt-10 -74.89 -35.48 62.28 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.137 -0.483 . . . . 73.340000000000003 110.904 179.988 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 15' ' ' TRP . . . . . 0.609 ' CH2' ' HB2' ' B' ' 44' ' ' ALA . 2.3 t90 -59.52 -48.79 80.27 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.198 -0.455 . . . . 62.350000000000001 110.87 -179.937 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 2.9 ptmm? -75.39 -32.45 60.78 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.246 -0.434 . . . . 74.319999999999993 110.91 179.96 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -64.14 -57.41 9.64 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.241 -0.436 . . . . 64.310000000000002 110.903 179.848 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 18' ' ' LEU . . . . . 0.472 HD12 ' O ' ' A' ' 14' ' ' GLU . 3.0 mt -54.92 -42.2 71.95 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.224 -0.444 . . . . 62.030000000000001 110.903 179.927 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 19' ' ' ALA . . . . . 0.579 ' HB2' ' HB3' ' A' ' 44' ' ' ALA . . . -58.23 -24.09 58.05 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.24 -0.436 . . . . 62.340000000000003 111.113 179.784 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -73.33 -49.5 27.12 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.227 -0.442 . . . . 74.049999999999997 110.866 -179.951 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -73.92 -51.41 16.17 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.164 -0.471 . . . . 62.140000000000001 110.917 -179.961 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -53.27 -30.23 37.4 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.116 -0.493 . . . . 64.400000000000006 111.11 179.953 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -71.15 -54.08 12.29 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.17 -0.468 . . . . 71.340000000000003 111.134 179.867 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 16.5 ptpt -64.75 -33.11 75.19 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.262 -0.426 . . . . 73.400000000000006 110.85 -179.99 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 4.4 mt -76.54 -40.98 48.33 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.227 -0.442 . . . . 74.109999999999999 110.93 179.945 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 7.5 mt -50.78 -49.22 58.77 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.163 -0.471 . . . . 72.239999999999995 110.923 179.875 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 11.7 mt-10 -93.24 12.42 24.6 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.175 -0.466 . . . . 72.519999999999996 110.841 179.944 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . -59.86 -14.14 29.06 Favored Glycine 0 N--CA 1.451 -0.302 0 C-N-CA 120.695 -0.764 . . . . 73.120000000000005 112.483 -179.965 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . 135.45 44.19 0.1 Allowed Glycine 0 N--CA 1.451 -0.348 0 C-N-CA 120.738 -0.744 . . . . 53.530000000000001 112.458 -179.992 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . -178.4 -87.12 0.07 OUTLIER Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.761 -0.733 . . . . 63.0 112.509 -179.917 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . 55.09 -108.95 1.1 Allowed Glycine 0 N--CA 1.451 -0.306 0 C-N-CA 120.766 -0.731 . . . . 72.140000000000001 112.435 -179.943 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . -141.36 -106.39 0.62 Allowed Glycine 0 N--CA 1.451 -0.344 0 C-N-CA 120.727 -0.749 . . . . 71.0 112.482 -179.927 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -111.63 -39.27 1.34 Allowed Glycine 0 N--CA 1.451 -0.364 0 C-N-CA 120.778 -0.725 . . . . 54.020000000000003 112.45 -179.856 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 111.96 115.02 3.42 Favored Glycine 0 N--CA 1.452 -0.283 0 C-N-CA 120.793 -0.718 . . . . 44.32 112.48 -179.892 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 144.38 -136.23 6.62 Favored Glycine 0 N--CA 1.451 -0.3 0 C-N-CA 120.713 -0.756 . . . . 50.219999999999999 112.508 -179.888 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 24.5 tt0 -57.55 -33.01 67.67 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.905 0.383 . . . . 74.219999999999999 110.937 -179.943 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 19.3 tp -64.89 -48.4 74.33 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.099 -0.5 . . . . 71.319999999999993 110.903 -179.911 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 38' ' ' MET . . . . . . . . . . . . . 37.3 ttm -70.95 -44.97 64.98 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.195 -0.457 . . . . 54.200000000000003 110.838 179.807 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -65.28 -28.06 69.07 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.239 -0.437 . . . . 74.120000000000005 110.919 179.954 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 4.3 mt -54.42 -40.24 68.1 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.209 -0.45 . . . . 71.519999999999996 110.909 179.903 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 41' ' ' CYS . . . . . 0.669 ' HA ' HD11 ' B' ' 51' ' ' LEU . 40.5 t -69.84 -37.13 76.06 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.241 -0.436 . . . . 50.020000000000003 110.835 179.973 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -56.44 -25.01 49.13 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.199 -0.455 . . . . 73.200000000000003 110.895 -179.882 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 11.4 mm-40 -54.28 -29.67 48.07 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.193 -0.458 . . . . 75.319999999999993 110.954 -179.985 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 44' ' ' ALA . . . . . 0.66 ' HB2' ' CH2' ' B' ' 15' ' ' TRP . . . -51.69 -43.07 62.64 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.098 -0.501 . . . . 75.510000000000005 111.164 179.845 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -75.1 -22.91 57.95 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.245 -0.434 . . . . 74.219999999999999 111.041 179.971 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 4.1 mttp -77.63 -50.3 12.79 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.239 -0.437 . . . . 32.140000000000001 110.847 -179.968 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -63.54 -49.02 75.11 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.238 -0.437 . . . . 65.450000000000003 110.862 179.911 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 48' ' ' ALA . . . . . 0.504 ' HB2' ' HB3' ' A' ' 15' ' ' TRP . . . -51.84 -37.32 51.44 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.219 -0.446 . . . . 73.439999999999998 111.093 179.826 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -66.65 -34.28 77.53 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.158 -0.474 . . . . 72.310000000000002 110.942 -179.938 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 10.2 mm-40 -74.18 -40.92 62.2 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.162 -0.472 . . . . 73.439999999999998 110.92 -179.988 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 51' ' ' LEU . . . . . 0.636 HD11 ' HA ' ' B' ' 41' ' ' CYS . 3.4 mt -73.02 -48.11 39.16 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.136 -0.484 . . . . 73.5 110.874 -179.921 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 52' ' ' PHE . . . . . . . . . . . . . 35.0 t80 -54.05 -26.85 28.78 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.216 -0.447 . . . . 62.420000000000002 110.948 179.91 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -51.78 -56.17 15.44 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.146 -0.479 . . . . 73.120000000000005 110.935 179.897 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 54' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -75.44 -21.75 57.91 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.264 -0.425 . . . . 72.209999999999994 110.936 179.883 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -54.05 -29.94 45.99 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.228 -0.442 . . . . 73.310000000000002 111.051 179.769 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 56' ' ' GLU . . . . . 0.598 ' HB2' HD21 ' A' ' 62' ' ' LEU . 5.4 pt-20 -76.5 -25.77 54.56 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.256 -0.429 . . . . 74.430000000000007 110.942 -179.968 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 34.9 tp10 -63.06 -46.68 86.32 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.194 -0.457 . . . . 61.219999999999999 110.932 -179.923 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -82.65 -12.58 57.53 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.133 -0.485 . . . . 73.099999999999994 110.878 -179.946 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 59' ' ' LEU . . . . . 0.642 HD22 ' HA ' ' A' ' 6' ' ' GLU . 31.5 tp -121.51 -77.19 0.58 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.185 -0.461 . . . . 73.129999999999995 110.897 -179.913 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 60' ' ' LYS . . . . . 0.478 ' N ' ' O ' ' A' ' 56' ' ' GLU . 2.5 mtpp 70.3 -174.47 0.18 Allowed 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.18 -0.463 . . . . 60.100000000000001 110.937 179.824 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER 66.51 22.25 10.65 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.312 -0.404 . . . . 61.009999999999998 110.873 179.864 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 62' ' ' LEU . . . . . 0.609 ' H ' HD22 ' A' ' 62' ' ' LEU . 0.4 OUTLIER . . . . . 0 C--N 1.328 -0.335 0 CA-C-N 116.256 -0.429 . . . . 45.020000000000003 110.886 -179.987 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' B' B ' 1' ' ' MET . . . . . . . . . . . . . 6.0 ttm . . . . . 0 C--O 1.232 0.155 0 CA-C-O 120.812 0.339 . . . . 54.210000000000001 110.85 . . . . . . . . . 0 0 . 1 . 020 nuclear nobuild full ' B' B ' 2' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -161.39 154.52 21.1 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.281 -0.418 . . . . 71.420000000000002 110.882 179.948 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' B' B ' 3' ' ' LYS . . . . . . . . . . . . . 11.0 mtpt -173.95 -40.14 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.166 -0.47 . . . . 73.239999999999995 110.919 179.879 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 4' ' ' LEU . . . . . . . . . . . . . 4.2 mm? -62.44 -46.16 89.77 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.192 -0.458 . . . . 42.119999999999997 110.892 179.904 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 5' ' ' ARG . . . . . . . . . . . . . 2.8 ptp180 -71.31 -42.58 68.45 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.172 -0.467 . . . . 74.519999999999996 110.833 179.988 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 6' ' ' GLU . . . . . 0.6 ' HA ' HD22 ' B' ' 59' ' ' LEU . 0.5 OUTLIER -53.66 -29.51 38.86 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.256 -0.429 . . . . 70.150000000000006 110.893 -179.927 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' B' B ' 7' ' ' GLU . . . . . . . . . . . . . 3.0 mm-40 -63.46 -54.52 35.14 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.183 -0.462 . . . . 72.019999999999996 110.912 -179.935 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 8' ' ' ALA . . . . . . . . . . . . . . . -56.24 -26.83 52.85 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.129 -0.487 . . . . 70.540000000000006 111.047 179.928 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 9' ' ' ALA . . . . . . . . . . . . . . . -71.68 -38.76 70.57 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.191 -0.458 . . . . 73.200000000000003 111.121 179.953 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 10' ' ' LYS . . . . . . . . . . . . . 4.5 mtmt -55.9 -34.07 65.22 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.194 -0.457 . . . . 72.049999999999997 110.91 -179.994 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 11' ' ' LEU . . . . . . . . . . . . . 40.2 mt -51.82 -42.73 62.75 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.179 -0.464 . . . . 72.549999999999997 110.961 179.928 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 12' ' ' PHE . . . . . 0.806 ' CE1' HD22 ' B' ' 51' ' ' LEU . 23.4 m-85 -74.16 -27.48 60.85 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.199 -0.455 . . . . 73.0 110.906 179.868 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' B' B ' 13' ' ' GLU . . . . . . . . . . . . . 2.7 tt0 -53.82 -32.52 53.08 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.103 -0.499 . . . . 62.420000000000002 110.853 -179.861 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 14' ' ' GLU . . . . . . . . . . . . . 8.4 mt-10 -75.0 -29.24 60.82 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.246 -0.434 . . . . 73.409999999999997 110.849 -179.944 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 15' ' ' TRP . . . . . 0.66 ' CH2' ' HB2' ' A' ' 44' ' ' ALA . 2.2 t90 -61.63 -52.13 65.62 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.166 -0.47 . . . . 65.340000000000003 110.926 -179.989 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' B' B ' 16' ' ' LYS . . . . . 0.693 ' HB3' ' HB1' ' B' ' 48' ' ' ALA . 3.0 ptmm? -75.98 -32.74 59.6 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.319 -0.401 . . . . 72.329999999999998 110.902 179.865 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' B' B ' 17' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -58.83 -62.21 2.04 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.248 -0.433 . . . . 71.409999999999997 110.894 179.884 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' B' B ' 18' ' ' LEU . . . . . 0.545 HD13 'BR ' ' A' ' 101' ' ' HLT . 3.3 mt -54.94 -43.39 73.35 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 116.264 -0.425 . . . . 53.299999999999997 110.872 179.914 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' B' B ' 19' ' ' ALA . . . . . . . . . . . . . . . -57.96 -21.66 45.31 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.199 -0.455 . . . . 71.230000000000004 111.169 179.754 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 20' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -73.05 -49.21 29.95 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.124 -0.489 . . . . 65.319999999999993 110.869 -179.909 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' B' B ' 21' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -71.59 -51.78 21.56 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.147 -0.479 . . . . 73.150000000000006 110.855 -179.908 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' B' B ' 22' ' ' ALA . . . . . . . . . . . . . . . -53.94 -30.45 46.63 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.145 -0.48 . . . . 71.439999999999998 111.15 179.893 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 23' ' ' ALA . . . . . . . . . . . . . . . -71.54 -53.63 13.19 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.242 -0.435 . . . . 53.130000000000003 111.08 179.969 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 24' ' ' LYS . . . . . . . . . . . . . 16.5 ptpt -64.63 -33.66 76.45 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.234 -0.439 . . . . 75.319999999999993 110.845 -179.994 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 25' ' ' LEU . . . . . 0.409 ' HA ' HD23 ' B' ' 25' ' ' LEU . 5.1 mt -76.34 -40.44 51.3 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.219 -0.446 . . . . 75.140000000000001 110.92 179.951 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' B' B ' 26' ' ' LEU . . . . . . . . . . . . . 7.0 mt -50.62 -50.05 55.22 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.144 -0.48 . . . . 71.239999999999995 110.875 179.878 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 27' ' ' GLU . . . . . . . . . . . . . 12.6 mt-10 -95.15 12.54 28.39 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.288 -0.415 . . . . 72.319999999999993 110.896 179.935 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 28' ' ' GLY . . . . . . . . . . . . . . . -59.64 -14.46 28.93 Favored Glycine 0 N--CA 1.451 -0.33 0 C-N-CA 120.727 -0.749 . . . . 74.340000000000003 112.49 -179.943 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 29' ' ' GLY . . . . . . . . . . . . . . . 135.23 45.63 0.1 OUTLIER Glycine 0 N--CA 1.451 -0.325 0 C-N-CA 120.727 -0.749 . . . . 42.439999999999998 112.449 -179.962 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 30' ' ' GLY . . . . . . . . . . . . . . . -176.88 -87.36 0.07 OUTLIER Glycine 0 N--CA 1.452 -0.29 0 C-N-CA 120.75 -0.738 . . . . 74.409999999999997 112.469 -179.96 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 31' ' ' GLY . . . . . . . . . . . . . . . 55.69 -107.16 0.73 Allowed Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.752 -0.737 . . . . 64.420000000000002 112.535 -179.816 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 32' ' ' GLY . . . . . . . . . . . . . . . -140.63 -106.38 0.64 Allowed Glycine 0 N--CA 1.451 -0.352 0 C-N-CA 120.742 -0.742 . . . . 45.340000000000003 112.502 -179.881 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 33' ' ' GLY . . . . . . . . . . . . . . . -111.51 -38.02 1.52 Allowed Glycine 0 N--CA 1.45 -0.381 0 C-N-CA 120.725 -0.75 . . . . 51.25 112.538 -179.979 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 34' ' ' GLY . . . . . . . . . . . . . . . 112.26 112.94 3.24 Favored Glycine 0 N--CA 1.452 -0.3 0 C-N-CA 120.753 -0.737 . . . . 73.439999999999998 112.512 -179.911 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 35' ' ' GLY . . . . . . . . . . . . . . . 142.47 -135.5 6.63 Favored Glycine 0 N--CA 1.451 -0.335 0 C-N-CA 120.696 -0.764 . . . . 71.049999999999997 112.463 -179.903 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 36' ' ' GLU . . . . . . . . . . . . . 24.4 tt0 -57.66 -31.64 66.52 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 120.867 0.365 . . . . 75.310000000000002 110.926 -179.931 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 37' ' ' LEU . . . . . . . . . . . . . 19.8 tp -63.73 -48.49 76.85 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.139 -0.482 . . . . 61.200000000000003 110.923 179.991 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 38' ' ' MET . . . . . . . . . . . . . 37.6 ttm -72.53 -44.32 62.34 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.204 -0.453 . . . . 64.519999999999996 110.845 179.876 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 39' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -64.29 -27.87 69.33 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.252 -0.431 . . . . 75.25 110.885 179.979 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' B' B ' 40' ' ' LEU . . . . . . . . . . . . . 4.1 mt -53.99 -43.04 69.65 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.24 -0.437 . . . . 73.010000000000005 110.903 179.922 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 41' ' ' CYS . . . . . 0.636 ' HA ' HD11 ' A' ' 51' ' ' LEU . 32.5 t -75.11 -27.43 59.84 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.199 -0.455 . . . . 74.239999999999995 110.916 179.949 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' B' B ' 42' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -53.65 -25.56 18.53 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.165 -0.47 . . . . 63.009999999999998 110.871 -179.888 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' B' B ' 43' ' ' GLU . . . . . . . . . . . . . 11.5 mm-40 -54.6 -33.06 59.78 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.165 -0.471 . . . . 64.239999999999995 110.857 -179.931 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 44' ' ' ALA . . . . . 0.609 ' HB2' ' CH2' ' A' ' 15' ' ' TRP . . . -51.63 -42.57 62.11 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.122 -0.49 . . . . 74.510000000000005 111.103 179.957 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' B' B ' 45' ' ' ALA . . . . . . . . . . . . . . . -74.92 -23.07 58.29 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.24 -0.436 . . . . 63.229999999999997 111.159 179.874 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 46' ' ' LYS . . . . . . . . . . . . . 4.1 mttp -78.13 -49.92 12.98 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.135 -0.484 . . . . 70.439999999999998 110.865 -179.98 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 47' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -62.44 -43.56 98.52 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.295 -0.411 . . . . 71.219999999999999 110.858 179.919 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' B' B ' 48' ' ' ALA . . . . . 0.693 ' HB1' ' HB3' ' B' ' 16' ' ' LYS . . . -51.86 -41.45 61.88 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.3 -0.409 . . . . 43.530000000000001 111.113 179.77 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' B' B ' 49' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -70.63 -32.03 69.21 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.197 -0.456 . . . . 70.329999999999998 110.838 -179.878 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' B' B ' 50' ' ' GLU . . . . . . . . . . . . . 10.0 mm-40 -73.98 -41.09 62.45 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.157 -0.474 . . . . 54.420000000000002 110.957 -179.98 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 51' ' ' LEU . . . . . 0.806 HD22 ' CE1' ' B' ' 12' ' ' PHE . 4.6 mt -72.53 -53.23 12.6 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.173 -0.467 . . . . 74.010000000000005 110.942 179.995 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' B' B ' 52' ' ' PHE . . . . . . . . . . . . . 34.8 t80 -56.11 -24.89 43.42 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.174 -0.467 . . . . 75.519999999999996 110.898 179.907 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 53' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -52.37 -56.02 17.71 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.182 -0.463 . . . . 71.140000000000001 110.878 -179.991 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' B' B ' 54' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -75.28 -21.95 58.14 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.22 -0.446 . . . . 65.120000000000005 110.968 179.844 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' B' B ' 55' ' ' ALA . . . . . . . . . . . . . . . -53.87 -30.0 43.91 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.169 -0.469 . . . . 64.430000000000007 111.076 179.827 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 56' ' ' GLU . . . . . 0.601 ' HB2' HD21 ' B' ' 62' ' ' LEU . 5.4 pt-20 -76.82 -25.82 53.67 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.262 -0.426 . . . . 74.409999999999997 110.876 -179.963 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' B' B ' 57' ' ' GLU . . . . . . . . . . . . . 34.9 tp10 -62.96 -46.7 86.48 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.185 -0.461 . . . . 53.109999999999999 110.863 -179.895 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 58' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -82.64 -12.7 57.46 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.227 -0.442 . . . . 74.120000000000005 110.879 -179.934 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' B' B ' 59' ' ' LEU . . . . . 0.6 HD22 ' HA ' ' B' ' 6' ' ' GLU . 29.4 tp -121.3 -77.17 0.58 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.205 -0.452 . . . . 51.140000000000001 110.918 -179.977 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' B' B ' 60' ' ' LYS . . . . . 0.477 ' N ' ' O ' ' B' ' 56' ' ' GLU . 2.6 mtpp 70.35 -174.5 0.18 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.129 -0.487 . . . . 73.140000000000001 110.922 179.873 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' B' B ' 61' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER 66.28 22.6 10.88 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.226 -0.443 . . . . 71.420000000000002 110.896 179.851 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' B' B ' 62' ' ' LEU . . . . . 0.619 HD22 ' H ' ' B' ' 62' ' ' LEU . 0.4 OUTLIER . . . . . 0 C--N 1.329 -0.324 0 CA-C-N 116.212 -0.449 . . . . 70.329999999999998 110.871 179.954 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 101' ' ' HLT . . . . . 0.545 'BR ' HD13 ' B' ' 18' ' ' LEU . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 stop_ save_