data_2kjf_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 2kjf _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 ' 1' ' ' LEU . . . . . . . . . . . . . 3.7 mp . . . . . 0 C--O 1.23 0.074 0 CA-C-O 120.835 0.35 . . . . 75.31 110.883 . . . . . . . . . 0 0 . 1 . 001 nuclear orig core ' A' A ' 2' ' ' VAL . . . . . . . . . . . . . 51.0 t -62.04 -50.26 80.8 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.153 -0.476 . . . . 73.44 111.093 179.911 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . -64.28 -29.77 70.84 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.218 -0.447 . . . . 73.54 111.074 179.873 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 4' ' ' TYR . . . . . . . . . . . . . 64.0 t80 -74.21 -48.2 30.51 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.223 -0.444 . . . . 73.24 110.888 -179.827 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . 159.49 -26.58 0.35 Allowed Glycine 0 N--CA 1.451 -0.328 0 C-N-CA 120.724 -0.75 . . . . 72.45 112.519 179.989 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 51.7 mm -58.74 135.09 23.49 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-O 120.821 0.343 . . . . 55.44 111.135 -179.975 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -52.2 143.03 15.29 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.17 -0.468 . . . . 73.14 111.096 179.822 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 8.1 pt20 -67.24 -41.41 85.71 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.197 -0.456 . . . . 72.14 110.91 -179.955 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -63.22 -46.0 94.03 Favored Glycine 0 N--CA 1.451 -0.342 0 C-N-CA 120.762 -0.732 . . . . 70.24 112.497 -179.974 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 6.3 m -75.89 -26.2 56.81 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.807 0.337 . . . . 65.02 111.14 -179.849 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -56.07 -57.47 12.0 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.207 -0.451 . . . . 71.33 111.108 179.875 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 28.9 mt-10 -52.04 -40.25 60.79 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.177 -0.465 . . . . 63.42 110.897 -179.945 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 40.1 mtmt -67.6 -46.83 71.43 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.179 -0.464 . . . . 75.15 110.912 179.959 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 91.9 t -60.97 -40.33 85.13 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.199 -0.455 . . . . 73.31 111.085 179.924 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 95.4 t -55.66 -36.52 42.81 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.191 -0.459 . . . . 72.22 111.141 179.93 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 10.9 t -60.48 -35.8 76.77 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.155 -0.475 . . . . 72.31 110.896 -179.851 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 2.1 mm? -71.36 -28.65 64.2 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.117 -0.492 . . . . 74.2 110.899 -179.995 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 18' ' ' ILE . . . . . . . . . . . . . 34.4 mt -65.02 -35.89 76.54 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.159 -0.473 . . . . 72.52 111.129 179.828 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 45.3 t30 -57.22 -24.27 53.48 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.177 -0.465 . . . . 71.23 110.884 179.952 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -64.94 -20.06 66.27 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.207 -0.451 . . . . 73.15 111.082 179.889 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . 84.92 0.31 89.07 Favored Glycine 0 N--CA 1.451 -0.348 0 C-N-CA 120.738 -0.744 . . . . 71.11 112.547 -179.933 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 7.0 mp -67.65 155.49 39.05 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.876 0.37 . . . . 72.15 110.907 -179.917 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 24.8 p -76.79 165.28 24.93 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.211 -0.449 . . . . 71.35 111.104 179.977 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 10.7 p -51.47 -30.22 10.57 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.167 -0.47 . . . . 72.42 111.105 179.935 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . -52.99 -40.03 57.76 Favored Glycine 0 N--CA 1.451 -0.31 0 C-N-CA 120.76 -0.733 . . . . 61.25 112.464 179.96 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 5.9 p -70.76 -27.09 63.68 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.892 0.377 . . . . 60.42 110.869 -179.696 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 31.0 mm -65.53 -55.01 21.91 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.106 -0.497 . . . . 74.34 111.12 179.963 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 28' ' ' ILE . . . . . . . . . . . . . 56.1 mt -60.47 -33.08 52.98 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.161 -0.472 . . . . 75.2 111.101 179.867 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 1.7 t -55.46 -39.43 70.35 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.173 -0.467 . . . . 62.24 110.867 -179.875 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 30' ' ' ILE . . . . . . . . . . . . . 54.7 mt -77.0 -32.37 19.49 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.118 -0.492 . . . . 75.55 111.156 179.91 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 4.0 mm? -60.6 -40.33 91.44 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.177 -0.465 . . . . 74.11 110.929 179.894 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . 62.37 57.96 14.48 Favored Glycine 0 N--CA 1.452 -0.27 0 C-N-CA 120.733 -0.746 . . . . 71.35 112.457 179.895 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -179.78 178.99 48.84 Favored Glycine 0 N--CA 1.451 -0.349 0 C-N-CA 120.76 -0.734 . . . . 60.12 112.522 -179.95 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 34' ' ' VAL . . . . . . . . . . . . . 16.0 m -77.24 60.41 0.13 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-O 120.871 0.367 . . . . 74.15 111.167 -179.932 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 42.8 p -86.81 6.63 30.69 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.178 -0.465 . . . . 74.15 111.105 -179.89 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 36' ' ' VAL . . . . . . . . . . . . . 4.8 m -56.05 99.94 0.05 OUTLIER 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 116.252 -0.431 . . . . 74.24 111.121 179.913 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 171.05 -52.92 0.19 Allowed Glycine 0 N--CA 1.451 -0.344 0 C-N-CA 120.753 -0.736 . . . . 72.44 112.497 -179.996 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 2.0 pt? -63.32 -17.98 63.13 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 120.812 0.339 . . . . 44.11 110.918 -179.94 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 2.9 m -55.84 -25.38 41.69 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.183 -0.462 . . . . 70.12 110.889 -179.941 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . -70.73 -25.89 74.96 Favored Glycine 0 N--CA 1.451 -0.345 0 C-N-CA 120.789 -0.719 . . . . 64.25 112.454 -179.967 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 41' ' ' VAL . . . . . . . . . . . . . 35.3 m -105.15 -24.11 4.17 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-O 120.837 0.351 . . . . 75.52 111.095 -179.947 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 42' ' ' PHE . . . . . . . . . . . . . 4.9 t80 -60.99 -37.72 83.49 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.214 -0.448 . . . . 74.1 110.875 -179.995 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 2.3 m -61.74 -45.37 94.21 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.186 -0.461 . . . . 72.21 111.155 -179.912 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -66.35 -33.17 75.12 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.217 -0.447 . . . . 73.14 111.138 179.831 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 83.3 t -63.52 -36.9 78.05 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.169 -0.469 . . . . 74.43 111.138 179.964 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 21.3 tttp -52.13 -51.76 55.87 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.176 -0.465 . . . . 72.44 110.862 179.926 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -63.36 -30.48 71.61 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.238 -0.437 . . . . 74.04 111.085 179.852 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -57.43 -40.41 78.32 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.217 -0.447 . . . . 74.21 111.089 179.94 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 49' ' ' ILE . . . . . . . . . . . . . 78.1 mt -56.37 -56.0 15.95 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.166 -0.47 . . . . 73.43 111.122 179.963 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -65.55 -24.39 67.09 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.191 -0.459 . . . . 73.21 111.098 179.832 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 9.7 tppt? -76.95 -33.59 57.68 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.228 -0.442 . . . . 72.1 110.903 179.974 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 52' ' ' GLN . . . . . . . . . . . . . 11.4 mm-40 -137.45 -72.85 0.42 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.181 -0.463 . . . . 73.45 110.919 179.927 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . 176.28 153.85 11.04 Favored Glycine 0 N--CA 1.452 -0.284 0 C-N-CA 120.746 -0.74 . . . . 64.02 112.502 -179.991 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 54' ' ' ILE . . . . . . . . . . . . . 16.7 pt -51.75 -35.2 17.33 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-O 120.912 0.386 . . . . 75.23 111.153 -179.949 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 18.8 ptmt -55.55 -45.0 77.3 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.187 -0.461 . . . . 74.24 110.892 179.829 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 3.6 mmmm -60.57 -36.73 79.21 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.26 -0.427 . . . . 74.44 110.87 179.905 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -56.3 -33.05 65.17 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.223 -0.444 . . . . 75.52 111.1 179.8 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 58' ' ' ILE . . . . . . . . . . . . . 40.7 mm -56.43 -57.32 9.42 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.221 -0.445 . . . . 71.03 111.146 179.998 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 59' ' ' GLN . . . . . . . . . . . . . 50.2 mt-30 -55.42 -29.83 59.32 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.192 -0.458 . . . . 75.11 110.89 179.936 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 1.2 mp . . . . . 0 C--N 1.329 -0.313 0 CA-C-N 116.168 -0.469 . . . . 73.1 110.915 -179.948 . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' A' A ' 1' ' ' LEU . . . . . . . . . . . . . 1.6 tp . . . . . 0 C--O 1.231 0.117 0 CA-C-O 120.81 0.338 . . . . 74.4 110.922 . . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' A' A ' 2' ' ' VAL . . . . . . . . . . . . . 23.4 t -63.29 -48.94 85.06 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.232 -0.44 . . . . 73.15 111.124 179.847 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . -64.21 -30.98 72.01 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.19 -0.459 . . . . 72.44 111.08 179.914 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 4' ' ' TYR . . . . . . . . . . . . . 0.6 OUTLIER -74.18 -50.82 17.61 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.227 -0.442 . . . . 75.42 110.953 -179.903 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . 149.74 52.47 0.02 OUTLIER Glycine 0 N--CA 1.452 -0.288 0 C-N-CA 120.72 -0.752 . . . . 74.3 112.48 -179.982 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 49.6 mm -139.25 142.94 32.33 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.343 0 CA-C-O 120.801 0.334 . . . . 72.23 111.149 -179.941 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -51.6 132.98 30.86 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.168 -0.469 . . . . 71.54 111.057 179.865 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 4.9 tp-100 -67.96 -55.92 10.93 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.212 -0.449 . . . . 72.24 110.948 -179.951 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -52.73 -41.64 57.99 Favored Glycine 0 N--CA 1.451 -0.315 0 C-N-CA 120.695 -0.764 . . . . 73.32 112.53 179.989 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 96.3 m -76.74 -34.58 58.08 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.785 0.326 . . . . 74.13 111.195 -179.928 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -54.68 -38.48 67.03 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.166 -0.47 . . . . 75.33 111.122 179.853 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 10.6 tt0 -55.0 -56.67 17.11 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.21 -0.45 . . . . 70.42 110.919 -179.926 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 21.8 mtpp -61.98 -37.48 84.95 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.157 -0.474 . . . . 75.31 110.867 179.954 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 94.4 t -60.48 -34.96 60.06 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.233 -0.439 . . . . 73.14 111.129 179.888 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 93.2 t -55.51 -31.1 27.37 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.18 -0.463 . . . . 74.22 111.144 179.905 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 23.6 t -58.63 -42.81 89.11 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.149 -0.478 . . . . 74.51 110.902 -179.887 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 4.1 mm? -71.25 -39.23 71.75 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.111 -0.495 . . . . 75.13 110.942 179.967 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 18' ' ' ILE . . . . . . . . . . . . . 39.8 mt -65.02 -49.17 80.94 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.187 -0.46 . . . . 74.23 111.108 179.825 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 19.3 t-20 -57.3 -26.89 61.59 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.23 -0.441 . . . . 73.43 110.909 179.935 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -65.01 -20.04 66.3 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.152 -0.476 . . . . 65.41 111.05 179.936 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . 91.57 17.53 48.8 Favored Glycine 0 N--CA 1.452 -0.296 0 C-N-CA 120.731 -0.747 . . . . 72.43 112.488 -179.982 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 6.6 mp -74.88 145.34 42.81 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.867 0.365 . . . . 74.55 110.912 -179.875 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 12.1 p -76.94 158.21 30.83 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.231 -0.441 . . . . 70.23 111.09 179.981 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 19.0 m -51.49 -30.22 10.65 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.179 -0.464 . . . . 71.43 111.131 179.906 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . -55.51 -52.1 50.21 Favored Glycine 0 N--CA 1.452 -0.293 0 C-N-CA 120.737 -0.744 . . . . 73.13 112.503 179.922 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 49.1 m -63.57 -26.97 68.94 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.857 0.361 . . . . 72.24 110.902 -179.79 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 30.0 mm -64.97 -42.32 94.44 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.145 -0.479 . . . . 74.44 111.158 179.923 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 28' ' ' ILE . . . . . . . . . . . . . 35.6 mm -60.45 -36.95 72.85 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.139 -0.482 . . . . 75.24 111.116 179.859 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 12.3 t -63.46 -30.94 71.99 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.209 -0.45 . . . . 64.2 110.883 -179.908 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 30' ' ' ILE . . . . . . . . . . . . . 44.1 mm -70.02 -60.71 2.17 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.105 -0.498 . . . . 64.13 111.158 179.931 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 4.3 mp -52.01 -41.99 62.67 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.157 -0.474 . . . . 72.05 110.873 179.897 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . 75.83 17.96 79.82 Favored Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.768 -0.73 . . . . 64.11 112.488 179.93 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -137.0 -176.71 14.51 Favored Glycine 0 N--CA 1.451 -0.353 0 C-N-CA 120.761 -0.733 . . . . 75.45 112.527 -179.953 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 34' ' ' VAL . . . . . . . . . . . . . 14.8 t -77.92 58.4 0.11 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-O 120.913 0.387 . . . . 74.42 111.125 -179.949 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 8.7 t -87.62 8.53 24.85 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.181 -0.463 . . . . 73.41 111.166 -179.981 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 36' ' ' VAL . . . . . . . . . . . . . 41.3 t -55.2 -25.2 16.35 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.201 -0.454 . . . . 75.22 111.144 179.92 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . -64.72 -46.09 90.85 Favored Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.736 -0.745 . . . . 74.14 112.482 179.993 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 4.3 mm? -66.28 -26.48 67.36 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.781 0.324 . . . . 75.32 110.906 -179.924 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 3.6 p -52.56 -29.45 25.58 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.205 -0.452 . . . . 71.41 110.86 -179.935 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . -52.19 -33.23 37.74 Favored Glycine 0 N--CA 1.45 -0.376 0 C-N-CA 120.76 -0.734 . . . . 61.41 112.494 -179.972 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 41' ' ' VAL . . . . . . . . . . . . . 27.2 m -104.88 -25.1 3.79 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-O 120.834 0.349 . . . . 74.24 111.139 -179.999 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 42' ' ' PHE . . . . . . . . . . . . . 5.4 t80 -52.14 -40.22 61.07 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.167 -0.47 . . . . 75.44 110.867 -179.971 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 1.9 m -61.29 -47.36 86.34 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.131 -0.486 . . . . 75.15 111.119 -179.888 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -66.4 -33.41 75.65 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.19 -0.459 . . . . 74.01 111.129 179.87 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 90.2 t -63.71 -47.55 90.59 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.222 -0.445 . . . . 62.2 111.111 179.983 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 12.4 tmtt? -53.39 -52.99 57.55 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.173 -0.467 . . . . 71.41 110.903 179.917 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -62.99 -33.85 76.28 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.2 -0.455 . . . . 53.21 111.144 179.776 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -57.19 -33.27 67.32 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.215 -0.448 . . . . 73.23 111.137 179.902 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 49' ' ' ILE . . . . . . . . . . . . . 75.1 mt -56.36 -54.95 21.97 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.156 -0.474 . . . . 75.52 111.138 179.976 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -65.01 -23.68 67.28 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.168 -0.469 . . . . 65.01 111.091 179.821 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 6.7 mmpt? -76.97 -42.69 37.94 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.224 -0.444 . . . . 72.1 110.849 -179.985 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 52' ' ' GLN . . . . . . . . . . . . . 83.4 mm-40 -119.13 -71.01 0.76 Allowed 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.231 -0.44 . . . . 74.12 110.914 179.968 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . 170.69 155.44 10.43 Favored Glycine 0 N--CA 1.45 -0.369 0 C-N-CA 120.807 -0.711 . . . . 62.12 112.552 -179.98 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 54' ' ' ILE . . . . . . . . . . . . . 17.6 pt -51.87 -34.76 17.23 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-O 120.907 0.384 . . . . 75.04 111.136 -179.935 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 25.6 ttmt -54.75 -56.26 21.23 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.176 -0.465 . . . . 75.33 110.908 179.815 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 3.4 mptp? -57.8 -27.34 63.03 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.199 -0.455 . . . . 75.41 110.898 179.88 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -60.28 -42.05 94.61 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.197 -0.456 . . . . 73.15 111.112 179.808 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 58' ' ' ILE . . . . . . . . . . . . . 71.9 mt -57.33 -60.01 2.57 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.203 -0.453 . . . . 74.14 111.128 -179.989 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 59' ' ' GLN . . . . . . . . . . . . . 76.0 mm-40 -56.03 -26.91 50.92 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.164 -0.471 . . . . 74.3 110.894 179.952 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 1.6 mt . . . . . 0 C--N 1.328 -0.355 0 CA-C-N 116.2 -0.455 . . . . 73.1 110.934 -179.98 . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' A' A ' 1' ' ' LEU . . . . . . . . . . . . . 76.4 mt . . . . . 0 C--O 1.23 0.075 0 CA-C-O 120.868 0.366 . . . . 72.32 110.95 . . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' A' A ' 2' ' ' VAL . . . . . . . . . . . . . 77.0 t -63.03 -50.17 80.58 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.179 -0.464 . . . . 74.13 111.088 179.848 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . -64.26 -32.52 74.14 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.193 -0.458 . . . . 72.34 111.085 179.907 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 4' ' ' TYR . . . . . . . . . . . . . 67.3 t80 -74.52 -45.91 42.74 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.234 -0.439 . . . . 74.13 110.911 -179.84 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . 152.35 57.38 0.01 OUTLIER Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.764 -0.731 . . . . 71.44 112.505 179.975 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 49.8 mm -136.49 140.36 43.51 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-O 120.891 0.377 . . . . 74.53 111.125 -179.985 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -51.6 134.48 29.64 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.159 -0.473 . . . . 63.4 111.085 179.804 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 45.0 mt-30 -67.74 -56.76 8.0 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.208 -0.451 . . . . 74.44 110.948 -179.968 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -59.46 -38.86 94.12 Favored Glycine 0 N--CA 1.451 -0.308 0 C-N-CA 120.697 -0.763 . . . . 74.12 112.51 -179.982 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 95.8 m -74.6 -33.32 62.59 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.791 0.329 . . . . 74.44 111.188 -179.91 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -51.76 -43.37 62.92 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.179 -0.464 . . . . 62.21 111.103 179.848 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 47.6 mt-10 -52.01 -52.34 51.33 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.233 -0.44 . . . . 74.33 110.88 -179.916 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 5.5 ttmt -68.31 -42.0 80.04 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.162 -0.472 . . . . 74.51 110.945 179.961 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 89.8 t -55.91 -47.84 79.32 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.26 0 CA-C-N 116.185 -0.461 . . . . 73.32 111.123 179.876 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 93.7 t -55.53 -39.47 54.1 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.146 -0.479 . . . . 73.41 111.177 179.892 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 1.7 t -53.05 -39.15 63.05 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.128 -0.487 . . . . 62.23 110.862 -179.85 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 4.5 mp -71.28 -31.01 66.96 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.153 -0.476 . . . . 74.32 110.955 179.95 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 18' ' ' ILE . . . . . . . . . . . . . 34.5 mt -65.11 -49.43 79.39 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.133 -0.485 . . . . 72.33 111.154 179.811 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 20.5 t-20 -58.26 -25.48 61.81 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.186 -0.461 . . . . 74.4 110.886 179.964 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -64.95 -20.12 66.31 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.165 -0.47 . . . . 73.02 111.102 179.84 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . 90.69 14.44 58.21 Favored Glycine 0 N--CA 1.451 -0.328 0 C-N-CA 120.754 -0.736 . . . . 75.11 112.434 -179.988 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 85.5 mt -74.91 160.43 30.62 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.889 0.376 . . . . 74.31 110.884 -179.941 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 68.6 p -84.24 155.6 22.4 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.178 -0.464 . . . . 73.54 111.139 179.924 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 14.0 p -51.43 -30.43 10.7 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.244 -0.435 . . . . 54.15 111.136 179.919 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . -57.08 -41.69 92.71 Favored Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.763 -0.732 . . . . 74.54 112.491 179.94 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 29.5 t -66.16 -26.95 67.66 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-O 120.85 0.357 . . . . 63.13 110.907 -179.757 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 35.4 mm -61.14 -54.97 27.96 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.088 -0.505 . . . . 63.2 111.166 179.929 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 28' ' ' ILE . . . . . . . . . . . . . 30.5 mt -60.35 -33.4 53.83 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.16 -0.473 . . . . 74.21 111.135 179.851 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 1.8 t -59.92 -47.04 87.42 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.163 -0.471 . . . . 63.32 110.856 -179.917 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 30' ' ' ILE . . . . . . . . . . . . . 51.2 mm -76.74 -28.58 17.45 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 116.104 -0.498 . . . . 74.24 111.135 179.944 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -66.43 -41.96 88.41 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.14 -0.482 . . . . 75.4 110.888 179.924 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . 72.12 57.91 5.45 Favored Glycine 0 N--CA 1.451 -0.345 0 C-N-CA 120.78 -0.724 . . . . 73.53 112.498 179.926 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -178.9 177.29 48.43 Favored Glycine 0 N--CA 1.452 -0.296 0 C-N-CA 120.746 -0.74 . . . . 65.13 112.464 -179.896 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 34' ' ' VAL . . . . . . . . . . . . . 16.1 m -77.35 59.98 0.12 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-O 120.961 0.41 . . . . 73.04 111.146 -179.98 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -87.14 7.52 27.76 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.131 -0.486 . . . . 73.11 111.105 -179.954 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 36' ' ' VAL . . . . . . . . . . . . . 10.0 p -57.38 -23.18 18.8 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.248 -0.433 . . . . 74.54 111.088 179.93 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . -73.72 -48.54 16.83 Favored Glycine 0 N--CA 1.451 -0.302 0 C-N-CA 120.767 -0.73 . . . . 53.24 112.473 179.977 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 4.3 mm? -66.29 -25.68 66.97 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-O 120.799 0.333 . . . . 74.13 110.908 -179.897 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 1.2 t -55.54 -26.4 42.96 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.21 -0.45 . . . . 74.2 110.881 -179.943 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . -56.48 -30.57 58.96 Favored Glycine 0 N--CA 1.452 -0.3 0 C-N-CA 120.752 -0.737 . . . . 73.42 112.471 179.981 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 41' ' ' VAL . . . . . . . . . . . . . 24.9 m -104.91 -24.12 4.16 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-O 120.864 0.364 . . . . 73.22 111.109 -179.911 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 42' ' ' PHE . . . . . . . . . . . . . 10.0 t80 -52.02 -54.39 30.49 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.193 -0.458 . . . . 74.21 110.88 -179.954 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 4.3 t -54.0 -41.13 67.62 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.119 -0.491 . . . . 74.1 111.202 -179.984 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -66.4 -35.06 79.37 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.227 -0.442 . . . . 65.43 111.117 179.826 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 55.4 t -63.69 -38.28 81.86 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.178 -0.465 . . . . 71.32 111.122 -179.971 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 50.8 tttm -51.9 -49.25 63.4 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.152 -0.476 . . . . 64.34 110.937 179.888 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -63.51 -30.62 71.71 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.211 -0.449 . . . . 74.52 111.088 179.851 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -58.59 -29.62 66.57 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.249 -0.432 . . . . 74.51 111.106 179.901 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 49' ' ' ILE . . . . . . . . . . . . . 64.3 mt -56.4 -54.63 25.98 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.342 0 CA-C-N 116.245 -0.434 . . . . 72.32 111.137 179.975 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -65.42 -24.19 67.14 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.194 -0.457 . . . . 63.43 111.15 179.763 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 34.7 mttt -76.93 -39.09 52.01 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.191 -0.459 . . . . 73.23 110.929 179.918 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 52' ' ' GLN . . . . . . . . . . . . . 9.5 mm100 -130.19 -68.59 0.7 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.245 -0.434 . . . . 74.3 110.937 179.938 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . 168.04 156.45 10.19 Favored Glycine 0 N--CA 1.452 -0.288 0 C-N-CA 120.726 -0.75 . . . . 64.21 112.459 179.985 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 54' ' ' ILE . . . . . . . . . . . . . 52.2 mt -53.89 -39.43 40.15 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-O 120.951 0.405 . . . . 74.41 111.157 -179.99 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 7.6 ptpp? -53.91 -45.56 71.18 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.181 -0.463 . . . . 75.15 110.874 179.885 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -65.99 -33.48 75.9 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.209 -0.45 . . . . 64.33 110.889 179.893 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -61.65 -41.77 97.98 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.253 -0.43 . . . . 74.2 111.118 179.814 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 58' ' ' ILE . . . . . . . . . . . . . 55.5 mt -56.74 -56.92 11.57 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.218 -0.446 . . . . 73.31 111.109 179.989 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 59' ' ' GLN . . . . . . . . . . . . . 42.8 mm-40 -57.0 -29.58 63.43 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.168 -0.469 . . . . 75.11 110.88 179.973 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 1.1 tp . . . . . 0 C--N 1.328 -0.329 0 CA-C-N 116.222 -0.445 . . . . 74.22 110.874 -179.949 . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' A' A ' 1' ' ' LEU . . . . . . . . . . . . . 45.2 mt . . . . . 0 C--O 1.231 0.116 0 CA-C-O 120.863 0.364 . . . . 74.13 110.908 . . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' A' A ' 2' ' ' VAL . . . . . . . . . . . . . 34.9 t -63.33 -49.83 81.32 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.175 -0.466 . . . . 73.4 111.16 179.818 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . -64.35 -29.58 70.65 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.15 -0.477 . . . . 73.23 111.06 179.885 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 4' ' ' TYR . . . . . . . . . . . . . 77.6 t80 -73.97 -48.21 32.04 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.26 -0.427 . . . . 74.33 110.923 -179.86 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . 159.69 -27.04 0.35 Allowed Glycine 0 N--CA 1.452 -0.275 0 C-N-CA 120.732 -0.747 . . . . 73.05 112.466 180.0 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 50.7 mm -58.98 130.15 22.02 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.35 0 CA-C-O 120.845 0.355 . . . . 73.43 111.092 -179.945 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -51.75 137.93 24.59 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.158 -0.473 . . . . 60.51 111.088 179.825 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 14.0 pt20 -68.02 -41.93 81.42 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.264 -0.426 . . . . 70.23 110.935 -179.95 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -53.77 -50.76 52.87 Favored Glycine 0 N--CA 1.451 -0.326 0 C-N-CA 120.764 -0.731 . . . . 62.43 112.482 -179.953 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 95.6 m -76.55 -33.22 58.54 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.838 0.352 . . . . 72.31 111.115 -179.839 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -51.68 -48.56 63.41 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.203 -0.453 . . . . 65.52 111.116 179.864 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 6.5 mt-10 -52.08 -48.84 64.48 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.228 -0.442 . . . . 72.4 110.882 -179.9 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 3.3 ttmp? -67.49 -39.88 85.21 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.197 -0.456 . . . . 74.35 110.915 179.947 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 90.2 t -61.12 -35.07 63.1 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.195 -0.457 . . . . 73.32 111.163 179.821 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 93.5 t -55.58 -44.68 77.41 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.16 -0.473 . . . . 74.52 111.179 179.896 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 4.9 m -54.33 -34.41 60.99 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.152 -0.476 . . . . 74.4 110.817 -179.818 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 4.2 mp -71.23 -35.45 71.49 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.15 -0.477 . . . . 75.33 110.906 -179.986 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 18' ' ' ILE . . . . . . . . . . . . . 34.8 mt -64.97 -49.83 77.83 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.353 0 CA-C-N 116.192 -0.458 . . . . 74.32 111.145 179.84 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 27.6 t-20 -58.62 -28.83 66.01 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.18 -0.463 . . . . 74.3 110.886 179.945 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -65.09 -20.05 66.29 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.13 -0.487 . . . . 70.42 111.129 179.854 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . 101.81 18.08 19.12 Favored Glycine 0 N--CA 1.452 -0.262 0 C-N-CA 120.729 -0.748 . . . . 64.22 112.506 -179.938 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 4.5 mm? -74.89 136.37 41.46 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.939 0.4 . . . . 75.1 110.933 -179.889 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 20.7 p -83.67 161.41 21.08 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.163 -0.471 . . . . 73.4 111.166 179.959 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 11.4 p -51.42 -30.9 11.31 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.227 -0.442 . . . . 74.34 111.112 179.899 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . -65.45 -39.63 95.81 Favored Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.764 -0.731 . . . . 73.2 112.457 -179.998 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 1.4 t -70.68 -32.75 70.11 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.796 0.332 . . . . 65.44 110.839 -179.726 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 35.9 mm -60.37 -55.0 27.25 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.154 -0.475 . . . . 74.35 111.153 179.972 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 28' ' ' ILE . . . . . . . . . . . . . 83.2 mt -53.46 -34.2 22.9 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.168 -0.469 . . . . 75.33 111.126 179.847 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 15.6 t -63.53 -30.67 71.75 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.197 -0.456 . . . . 71.23 110.869 -179.946 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 30' ' ' ILE . . . . . . . . . . . . . 43.5 mm -69.73 -61.08 1.83 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.181 -0.463 . . . . 65.41 111.188 179.933 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 6.6 mp -63.05 -42.85 99.81 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.177 -0.465 . . . . 74.52 110.914 179.874 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . 50.01 58.03 9.18 Favored Glycine 0 N--CA 1.451 -0.342 0 C-N-CA 120.769 -0.729 . . . . 60.33 112.5 179.907 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -148.6 -147.57 4.56 Favored Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 120.752 -0.737 . . . . 61.31 112.48 -179.906 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 34' ' ' VAL . . . . . . . . . . . . . 32.3 m -78.21 -1.96 4.46 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-O 120.851 0.358 . . . . 75.42 111.133 179.958 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 71.3 p -78.21 -2.72 39.13 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.223 -0.444 . . . . 73.14 111.14 -179.946 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 36' ' ' VAL . . . . . . . . . . . . . 6.1 p -56.27 -24.33 17.99 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.264 0 CA-C-N 116.217 -0.447 . . . . 73.55 111.146 179.895 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . -91.21 -32.44 8.87 Favored Glycine 0 N--CA 1.452 -0.288 0 C-N-CA 120.688 -0.768 . . . . 71.32 112.501 179.998 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 4.3 mm? -66.19 -20.98 66.29 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-O 120.796 0.331 . . . . 64.42 110.893 -179.954 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -58.56 -22.0 54.39 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.16 -0.473 . . . . 74.31 110.891 -179.892 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . -53.51 -26.29 30.37 Favored Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 120.719 -0.753 . . . . 64.21 112.479 -179.955 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 41' ' ' VAL . . . . . . . . . . . . . 18.7 m -93.36 -20.3 6.42 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-O 120.889 0.376 . . . . 72.31 111.16 179.985 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 42' ' ' PHE . . . . . . . . . . . . . 4.6 t80 -55.15 -38.54 68.4 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.142 -0.481 . . . . 75.11 110.867 -179.982 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 21.3 m -58.46 -47.64 83.33 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.175 -0.466 . . . . 64.21 111.123 -179.882 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -65.7 -30.6 71.31 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.235 -0.439 . . . . 71.33 111.103 179.862 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 53.3 t -65.8 -44.73 92.88 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.202 -0.454 . . . . 73.42 111.141 179.953 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 1.2 tmtp? -53.96 -48.18 70.55 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.143 -0.48 . . . . 74.44 110.892 179.95 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -60.28 -30.75 69.66 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.258 -0.428 . . . . 73.14 111.083 179.804 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -58.88 -36.91 75.41 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.241 -0.436 . . . . 75.34 111.062 179.972 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 49' ' ' ILE . . . . . . . . . . . . . 68.3 mt -56.38 -55.78 17.18 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.243 -0.435 . . . . 72.41 111.133 179.981 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -65.42 -23.7 67.01 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.184 -0.462 . . . . 64.4 111.115 179.846 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 30.2 tttp -76.98 -37.46 55.1 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.206 -0.452 . . . . 74.23 110.877 179.925 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 52' ' ' GLN . . . . . . . . . . . . . 71.0 mm-40 -133.89 -67.79 0.58 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.225 -0.443 . . . . 72.12 110.87 -179.986 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . 169.91 156.07 10.7 Favored Glycine 0 N--CA 1.451 -0.361 0 C-N-CA 120.746 -0.74 . . . . 61.13 112.472 -179.948 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 54' ' ' ILE . . . . . . . . . . . . . 22.0 pt -51.67 -32.58 14.17 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-O 120.902 0.382 . . . . 74.54 111.146 -179.994 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -56.69 -42.14 78.55 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.157 -0.474 . . . . 65.11 110.867 179.894 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 17.0 tppt? -66.47 -35.21 79.72 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.205 -0.452 . . . . 75.32 110.892 179.879 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -60.49 -38.56 84.69 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.218 -0.446 . . . . 73.55 111.113 179.814 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 58' ' ' ILE . . . . . . . . . . . . . 69.4 mt -56.46 -59.91 2.44 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.354 0 CA-C-N 116.268 -0.424 . . . . 72.41 111.146 179.952 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 59' ' ' GLN . . . . . . . . . . . . . 34.7 mm-40 -58.19 -27.2 63.65 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.152 -0.476 . . . . 61.23 110.929 179.913 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 C--N 1.328 -0.337 0 CA-C-N 116.201 -0.454 . . . . 74.04 110.907 -179.987 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 1' ' ' LEU . . . . . . . . . . . . . 39.6 mt . . . . . 0 C--O 1.231 0.11 0 CA-C-O 120.795 0.331 . . . . 75.51 110.912 . . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' A' A ' 2' ' ' VAL . . . . . . . . . . . . . 67.9 t -63.22 -50.04 80.67 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.228 -0.442 . . . . 74.22 111.117 179.859 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . -64.44 -28.99 70.05 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.17 -0.468 . . . . 72.4 111.078 179.892 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 4' ' ' TYR . . . . . . . . . . . . . 85.6 t80 -73.98 -48.31 31.23 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.218 -0.446 . . . . 70.43 110.921 -179.889 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . 160.22 -27.57 0.33 Allowed Glycine 0 N--CA 1.451 -0.307 0 C-N-CA 120.791 -0.719 . . . . 72.41 112.491 179.992 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 50.6 mm -57.8 137.69 19.66 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.342 0 CA-C-O 120.818 0.342 . . . . 74.42 111.131 -179.985 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -51.64 139.52 20.66 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.183 -0.462 . . . . 75.35 111.102 179.817 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 6.6 pt20 -67.88 -42.82 80.67 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.244 -0.435 . . . . 71.55 110.952 -179.977 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -62.33 -46.51 93.74 Favored Glycine 0 N--CA 1.451 -0.354 0 C-N-CA 120.781 -0.723 . . . . 75.1 112.507 179.982 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 88.2 m -77.0 -25.88 53.21 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-O 120.815 0.34 . . . . 53.14 111.14 -179.864 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -51.53 -36.86 46.72 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.207 -0.451 . . . . 75.44 111.054 179.91 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 13.3 mt-10 -72.26 -32.94 67.12 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.236 -0.438 . . . . 63.23 110.838 -179.879 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 29.7 mttm -69.42 -54.26 15.24 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.208 -0.451 . . . . 75.14 110.888 179.953 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 16.9 m -52.08 -34.91 18.17 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.252 -0.431 . . . . 73.31 111.112 179.888 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 53.8 t -55.57 -34.71 35.98 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.183 -0.462 . . . . 71.43 111.19 179.9 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 1.7 t -59.53 -37.61 78.83 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.177 -0.465 . . . . 75.24 110.88 -179.873 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 2.5 mp -71.38 -29.14 64.6 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.069 -0.514 . . . . 73.21 110.885 -179.965 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 18' ' ' ILE . . . . . . . . . . . . . 24.2 mt -65.27 -49.62 77.89 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.223 -0.444 . . . . 74.21 111.108 179.849 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 4.9 t-20 -55.81 -29.81 60.35 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.189 -0.46 . . . . 65.05 110.865 179.981 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -64.94 -20.15 66.32 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.221 -0.445 . . . . 70.33 111.131 179.837 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . 95.94 17.71 34.31 Favored Glycine 0 N--CA 1.451 -0.362 0 C-N-CA 120.757 -0.735 . . . . 72.32 112.492 -179.952 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 4.5 mm? -74.85 135.37 41.58 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-O 120.862 0.363 . . . . 72.43 110.905 -179.915 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 36.1 p -76.78 157.0 31.92 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.198 -0.455 . . . . 74.1 111.129 179.942 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 19.5 m -51.3 -30.44 10.27 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.186 -0.461 . . . . 73.1 111.167 179.904 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . -57.61 -46.54 91.99 Favored Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.711 -0.757 . . . . 74.21 112.489 179.987 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 2.8 m -70.8 -26.96 63.56 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.816 0.341 . . . . 71.1 110.84 -179.739 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 41.5 mm -60.27 -41.38 86.82 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 116.163 -0.471 . . . . 75.35 111.146 179.906 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 28' ' ' ILE . . . . . . . . . . . . . 41.0 mt -60.72 -43.9 96.11 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.178 -0.464 . . . . 71.25 111.167 179.841 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 2.8 t -63.92 -45.36 89.61 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.189 -0.459 . . . . 71.52 110.829 -179.915 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 30' ' ' ILE . . . . . . . . . . . . . 45.4 mm -70.02 -27.17 31.68 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.156 -0.475 . . . . 75.22 111.121 179.969 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -57.96 -22.84 51.12 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.156 -0.474 . . . . 73.55 110.935 179.907 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . 88.19 29.88 18.57 Favored Glycine 0 N--CA 1.452 -0.292 0 C-N-CA 120.712 -0.756 . . . . 74.44 112.526 179.93 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . 157.65 141.88 3.27 Favored Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 120.783 -0.722 . . . . 71.24 112.494 -179.907 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 34' ' ' VAL . . . . . . . . . . . . . 8.2 m -69.72 101.88 0.76 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-O 120.89 0.376 . . . . 64.43 111.177 180.0 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 8.7 t -81.81 -36.68 28.11 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.188 -0.46 . . . . 65.1 111.148 -179.949 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 36' ' ' VAL . . . . . . . . . . . . . 22.1 t 50.44 65.63 0.17 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.224 -0.444 . . . . 71.45 111.164 179.908 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 174.03 -65.98 0.11 Allowed Glycine 0 N--CA 1.452 -0.299 0 C-N-CA 120.735 -0.745 . . . . 74.04 112.485 -179.995 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 1.5 pp -59.78 -20.26 55.6 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-O 120.833 0.349 . . . . 72.44 110.912 -179.894 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -69.98 -43.83 70.67 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.163 -0.471 . . . . 72.34 110.84 -179.886 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . -60.49 -29.08 68.57 Favored Glycine 0 N--CA 1.451 -0.308 0 C-N-CA 120.745 -0.74 . . . . 75.53 112.447 -179.974 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 41' ' ' VAL . . . . . . . . . . . . . 7.2 p -93.12 -21.51 6.08 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.258 0 CA-C-O 120.831 0.348 . . . . 74.35 111.134 -179.962 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 42' ' ' PHE . . . . . . . . . . . . . 17.7 t80 -51.84 -45.85 64.15 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.224 -0.444 . . . . 74.01 110.9 179.949 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 0.5 OUTLIER -54.65 -46.59 73.98 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.114 -0.494 . . . . 63.21 111.153 -179.923 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -58.85 -33.76 70.81 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.236 -0.438 . . . . 75.23 111.14 179.832 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 93.7 t -70.79 -46.96 66.16 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.234 -0.439 . . . . 73.44 111.1 179.972 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 8.6 tmtt? -57.79 -48.48 79.56 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.169 -0.469 . . . . 74.25 110.864 179.954 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -59.13 -35.19 73.05 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.28 -0.418 . . . . 75.35 111.118 179.833 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -57.4 -28.23 63.05 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.189 -0.459 . . . . 75.11 111.078 179.961 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 49' ' ' ILE . . . . . . . . . . . . . 72.8 mt -56.5 -56.02 16.06 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.233 -0.439 . . . . 71.24 111.122 -179.999 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -65.82 -23.57 66.72 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.182 -0.463 . . . . 73.04 111.115 179.833 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 1.5 tppp? -76.94 -36.6 56.45 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.189 -0.459 . . . . 72.34 110.86 179.986 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 52' ' ' GLN . . . . . . . . . . . . . 2.9 mp0 -135.92 -69.85 0.48 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.251 -0.431 . . . . 72.22 110.914 179.974 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . 175.12 155.45 12.57 Favored Glycine 0 N--CA 1.451 -0.344 0 C-N-CA 120.731 -0.747 . . . . 62.14 112.489 -179.98 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 54' ' ' ILE . . . . . . . . . . . . . 23.4 pt -51.42 -31.27 11.79 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-O 120.969 0.414 . . . . 73.13 111.158 179.992 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -56.6 -36.86 69.89 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.149 -0.478 . . . . 74.13 110.887 179.878 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 47.6 mmtt -66.24 -40.65 90.37 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.218 -0.446 . . . . 75.44 110.916 179.878 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -55.76 -34.96 65.69 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.202 -0.453 . . . . 73.52 111.09 179.857 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 58' ' ' ILE . . . . . . . . . . . . . 71.4 mt -60.63 -57.58 11.36 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.247 -0.433 . . . . 74.23 111.12 179.924 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 59' ' ' GLN . . . . . . . . . . . . . 75.0 mm-40 -57.07 -31.71 65.5 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.171 -0.468 . . . . 73.4 110.905 179.962 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 1.1 mp . . . . . 0 C--N 1.329 -0.312 0 CA-C-N 116.263 -0.426 . . . . 75.31 110.849 -179.962 . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' A' A ' 1' ' ' LEU . . . . . . . . . . . . . 58.9 mt . . . . . 0 C--O 1.231 0.104 0 CA-C-O 120.838 0.351 . . . . 72.2 110.915 . . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' A' A ' 2' ' ' VAL . . . . . . . . . . . . . 92.5 t -62.96 -48.91 85.76 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.163 -0.471 . . . . 72.45 111.128 179.827 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . -63.84 -32.63 74.21 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.227 -0.442 . . . . 71.13 111.074 179.869 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 4' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER -74.43 -50.93 16.45 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.225 -0.443 . . . . 75.05 110.929 -179.817 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . 160.11 55.5 0.01 OUTLIER Glycine 0 N--CA 1.452 -0.286 0 C-N-CA 120.677 -0.773 . . . . 71.04 112.427 179.998 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 41.5 mm -134.35 144.39 35.32 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-O 120.826 0.346 . . . . 72.21 111.108 -179.999 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -51.48 144.61 9.99 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.155 -0.475 . . . . 73.4 111.072 179.804 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 6.3 tp-100 -67.35 -57.04 7.34 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.152 -0.477 . . . . 74.11 110.925 -179.92 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -67.63 -33.99 82.44 Favored Glycine 0 N--CA 1.452 -0.284 0 C-N-CA 120.743 -0.741 . . . . 73.04 112.477 -179.997 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 7.4 m -77.1 -25.65 52.47 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.734 0.302 . . . . 75.54 111.085 -179.853 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -50.96 -38.73 52.53 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.264 -0.425 . . . . 63.34 111.097 179.858 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 9.1 tt0 -71.82 -33.55 68.6 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.217 -0.447 . . . . 74.43 110.886 -179.912 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 51.9 mttp -69.32 -54.47 14.42 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.172 -0.467 . . . . 72.22 110.874 179.976 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 15.3 m -52.65 -41.31 37.3 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.247 -0.433 . . . . 74.34 111.098 179.904 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 63.6 t -59.48 -43.93 91.73 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.158 -0.474 . . . . 75.11 111.144 179.919 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 4.0 t -53.68 -34.57 59.14 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.169 -0.469 . . . . 63.51 110.88 -179.905 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 1.5 mt -71.54 -28.47 63.89 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.108 -0.497 . . . . 74.03 110.939 -179.989 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 18' ' ' ILE . . . . . . . . . . . . . 17.7 mt -65.52 -34.36 69.92 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.194 -0.457 . . . . 74.33 111.102 179.868 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 17.9 t-20 -57.4 -23.94 52.39 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.227 -0.442 . . . . 74.11 110.862 179.943 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -64.83 -20.03 66.18 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.202 -0.454 . . . . 73.33 111.093 179.872 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . 81.63 7.85 87.63 Favored Glycine 0 N--CA 1.452 -0.277 0 C-N-CA 120.726 -0.75 . . . . 72.44 112.465 -179.963 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 1.6 pt? -69.96 169.31 13.54 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.909 0.385 . . . . 74.12 110.913 -179.88 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 12.2 p -84.04 149.15 26.44 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.192 -0.458 . . . . 72.41 111.142 179.952 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 6.7 p -51.4 -33.03 13.86 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.227 -0.442 . . . . 75.34 111.129 179.903 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . -53.34 -35.1 49.6 Favored Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.722 -0.752 . . . . 75.53 112.494 -179.998 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 22.1 t -70.7 -27.03 63.69 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.834 0.35 . . . . 75.21 110.837 -179.787 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 38.1 mm -60.28 -49.28 84.8 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.152 -0.476 . . . . 71.55 111.124 179.942 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 28' ' ' ILE . . . . . . . . . . . . . 59.9 mt -60.5 -40.63 84.94 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.194 -0.457 . . . . 72.24 111.176 179.876 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 2.4 t -55.49 -39.19 70.13 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.14 -0.482 . . . . 63.34 110.834 -179.906 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 30' ' ' ILE . . . . . . . . . . . . . 50.7 mm -74.45 -24.5 18.77 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-N 116.114 -0.494 . . . . 65.21 111.143 179.94 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 6.4 mt -78.48 -27.06 46.2 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.152 -0.477 . . . . 73.42 110.921 179.898 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . 128.04 -38.04 2.17 Favored Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.759 -0.734 . . . . 43.4 112.503 179.948 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . 124.31 -23.63 6.4 Favored Glycine 0 N--CA 1.451 -0.353 0 C-N-CA 120.8 -0.714 . . . . 72.35 112.51 -179.918 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 34' ' ' VAL . . . . . . . . . . . . . 25.1 m -77.57 -13.03 14.09 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-O 120.899 0.381 . . . . 75.5 111.141 -179.976 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 80.6 p -87.27 8.17 25.37 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.133 -0.485 . . . . 74.25 111.12 -179.997 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 36' ' ' VAL . . . . . . . . . . . . . 4.4 m -53.16 101.47 0.04 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.237 -0.438 . . . . 64.42 111.14 179.915 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 165.95 -45.99 0.27 Allowed Glycine 0 N--CA 1.451 -0.323 0 C-N-CA 120.767 -0.73 . . . . 72.33 112.494 -179.994 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 2.0 pt? -66.2 -18.18 65.19 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-O 120.83 0.348 . . . . 73.43 110.921 -179.918 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 1.9 t -57.17 -23.83 50.18 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.191 -0.459 . . . . 71.44 110.863 -179.954 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . -74.24 -24.12 74.15 Favored Glycine 0 N--CA 1.451 -0.333 0 C-N-CA 120.701 -0.762 . . . . 71.33 112.496 -179.975 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 41' ' ' VAL . . . . . . . . . . . . . 35.0 m -105.18 -24.39 4.06 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-O 120.854 0.359 . . . . 75.41 111.164 179.978 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 42' ' ' PHE . . . . . . . . . . . . . 11.9 t80 -54.13 -54.48 39.02 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.174 -0.466 . . . . 72.53 110.903 -179.975 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 1.1 m -54.01 -43.11 69.78 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.102 -0.499 . . . . 71.53 111.154 -179.923 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -59.86 -40.54 88.96 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.229 -0.441 . . . . 61.51 111.089 179.875 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 89.2 t -70.54 -33.69 54.4 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.24 -0.436 . . . . 72.32 111.115 -180.0 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 19.0 ttpt -55.89 -52.97 62.21 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.203 -0.453 . . . . 75.44 110.875 179.927 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -57.38 -32.75 67.1 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.205 -0.452 . . . . 74.22 111.097 179.849 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -58.01 -31.12 66.65 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.197 -0.456 . . . . 74.31 111.102 179.945 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 49' ' ' ILE . . . . . . . . . . . . . 79.9 mt -56.38 -55.82 16.93 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.361 0 CA-C-N 116.222 -0.445 . . . . 74.45 111.142 179.993 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -62.31 -24.38 67.27 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.149 -0.478 . . . . 73.23 111.128 179.764 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 1.3 mmmm -77.11 -45.98 25.08 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.208 -0.451 . . . . 73.41 110.891 -179.998 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 52' ' ' GLN . . . . . . . . . . . . . 29.0 mm-40 -122.12 -72.83 0.67 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.198 -0.456 . . . . 65.21 110.896 179.966 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . 173.73 154.82 11.04 Favored Glycine 0 N--CA 1.451 -0.364 0 C-N-CA 120.802 -0.713 . . . . 63.12 112.55 -179.964 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 54' ' ' ILE . . . . . . . . . . . . . 17.5 pt -51.77 -34.78 16.93 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-O 120.911 0.386 . . . . 71.45 111.153 -179.938 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 13.0 ptpt -56.75 -45.17 82.18 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.124 -0.489 . . . . 74.21 110.914 179.795 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 3.0 mmmp? -66.18 -36.96 84.46 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.199 -0.455 . . . . 72.3 110.874 179.91 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -56.83 -32.98 66.29 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.238 -0.437 . . . . 72.52 111.056 179.858 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 58' ' ' ILE . . . . . . . . . . . . . 77.8 mt -56.44 -59.46 2.89 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.212 -0.449 . . . . 71.44 111.086 -179.995 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 59' ' ' GLN . . . . . . . . . . . . . 33.1 mm-40 -54.8 -31.01 58.5 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.204 -0.453 . . . . 71.33 110.881 180.0 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 1.2 mp . . . . . 0 C--N 1.328 -0.344 0 CA-C-N 116.196 -0.456 . . . . 74.34 110.899 -179.941 . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' A' A ' 1' ' ' LEU . . . . . . . . . . . . . 1.7 mp . . . . . 0 C--O 1.231 0.109 0 CA-C-O 120.886 0.374 . . . . 75.35 110.926 . . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' A' A ' 2' ' ' VAL . . . . . . . . . . . . . 25.5 t -62.95 -49.96 81.51 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.179 -0.464 . . . . 75.24 111.114 179.837 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . -64.18 -29.75 70.84 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.202 -0.454 . . . . 74.55 111.135 179.874 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 4' ' ' TYR . . . . . . . . . . . . . 1.7 m-85 -74.08 -48.5 29.38 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.178 -0.464 . . . . 74.42 110.933 -179.882 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . 160.68 -27.67 0.31 Allowed Glycine 0 N--CA 1.451 -0.335 0 C-N-CA 120.815 -0.707 . . . . 75.13 112.552 -179.988 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 50.0 mm -57.81 128.19 18.01 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-O 120.848 0.356 . . . . 74.11 111.144 179.993 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -51.41 132.0 29.21 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.151 -0.477 . . . . 65.42 111.144 179.817 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 3.4 pm0 -62.38 -32.03 72.78 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.224 -0.443 . . . . 54.43 110.859 -179.893 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -63.45 -51.14 56.78 Favored Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.752 -0.737 . . . . 63.02 112.479 -179.972 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 93.1 m -77.11 -32.22 56.4 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-O 120.771 0.32 . . . . 72.14 111.123 -179.829 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -52.04 -44.69 64.35 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.23 -0.441 . . . . 74.33 111.068 179.851 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 60.6 mt-10 -52.19 -51.43 58.16 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.238 -0.437 . . . . 75.11 110.88 -179.92 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 46.5 mttp -67.53 -38.48 84.29 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.195 -0.457 . . . . 70.14 110.93 179.947 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 99.3 t -60.21 -34.98 59.13 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.191 -0.459 . . . . 73.13 111.117 179.887 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 97.9 t -55.45 -44.51 76.25 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.164 -0.471 . . . . 75.21 111.15 179.947 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 27.9 t -53.22 -35.34 59.8 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.132 -0.486 . . . . 71.5 110.843 -179.819 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 5.0 mp -71.37 -36.43 71.45 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.107 -0.497 . . . . 74.15 110.868 -179.974 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 18' ' ' ILE . . . . . . . . . . . . . 33.6 mt -64.98 -49.76 78.15 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.179 -0.464 . . . . 74.03 111.164 179.817 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 34.1 t30 -58.28 -28.52 65.06 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.147 -0.479 . . . . 75.42 110.855 179.997 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -65.37 -20.12 66.25 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.211 -0.45 . . . . 72.34 111.087 179.868 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . 96.75 19.63 26.51 Favored Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 120.708 -0.758 . . . . 74.32 112.519 -179.911 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 4.4 mm? -74.82 136.29 41.6 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.897 0.379 . . . . 75.44 110.898 -179.935 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 3.1 p -77.26 156.73 31.22 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.23 -0.441 . . . . 73.3 111.141 179.905 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 19.6 m -51.49 -30.47 10.96 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.215 -0.448 . . . . 62.24 111.104 179.948 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . -58.97 -46.25 93.95 Favored Glycine 0 N--CA 1.451 -0.303 0 C-N-CA 120.73 -0.748 . . . . 74.43 112.477 179.981 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 2.7 m -66.81 -31.36 71.94 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.868 0.366 . . . . 74.21 110.875 -179.729 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 36.9 mm -60.4 -55.06 26.85 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.116 -0.493 . . . . 74.22 111.103 179.958 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 28' ' ' ILE . . . . . . . . . . . . . 46.3 mm -60.47 -38.42 77.93 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.204 -0.453 . . . . 74.33 111.111 179.892 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 22.7 t -55.56 -31.31 62.05 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.166 -0.47 . . . . 71.41 110.829 -179.882 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 30' ' ' ILE . . . . . . . . . . . . . 44.4 mt -77.15 -49.02 23.72 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.346 0 CA-C-N 116.155 -0.475 . . . . 74.31 111.122 179.966 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 4.1 mm? -51.95 -39.03 58.6 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.187 -0.461 . . . . 73.42 110.96 179.86 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . 53.49 57.97 13.75 Favored Glycine 0 N--CA 1.451 -0.3 0 C-N-CA 120.768 -0.729 . . . . 72.45 112.48 179.888 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -168.45 -165.87 26.57 Favored Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.76 -0.733 . . . . 74.11 112.512 -179.9 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 34' ' ' VAL . . . . . . . . . . . . . 15.5 t -77.55 59.35 0.12 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-O 120.95 0.405 . . . . 74.5 111.145 -179.961 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -87.01 7.18 28.76 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.132 -0.486 . . . . 71.13 111.113 -179.945 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 36' ' ' VAL . . . . . . . . . . . . . 2.6 p -54.95 100.75 0.05 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.256 -0.429 . . . . 71.52 111.152 179.893 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 137.84 -31.54 2.46 Favored Glycine 0 N--CA 1.451 -0.361 0 C-N-CA 120.767 -0.73 . . . . 72.33 112.529 179.99 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 2.9 tp -66.65 -39.9 88.43 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.799 0.333 . . . . 74.55 110.938 -179.972 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 93.4 p -58.93 -25.55 63.58 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.165 -0.471 . . . . 63.32 110.887 -179.969 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . -61.4 -39.0 96.67 Favored Glycine 0 N--CA 1.451 -0.336 0 C-N-CA 120.734 -0.746 . . . . 72.24 112.466 -179.962 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 41' ' ' VAL . . . . . . . . . . . . . 32.2 m -93.54 -24.86 5.0 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-O 120.868 0.366 . . . . 74.33 111.147 -179.965 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 42' ' ' PHE . . . . . . . . . . . . . 3.6 t80 -56.37 -51.32 68.73 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.172 -0.467 . . . . 74.54 110.888 -179.985 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 4.3 t -54.09 -41.1 67.87 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.163 -0.471 . . . . 74.53 111.159 -179.914 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -66.39 -33.59 76.05 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.171 -0.468 . . . . 65.31 111.126 179.81 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 62.6 t -63.56 -45.89 96.45 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.217 -0.447 . . . . 73.54 111.124 -179.987 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 30.3 tttm -51.91 -41.42 61.96 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.186 -0.461 . . . . 74.31 110.898 179.924 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -63.45 -35.36 80.17 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.209 -0.45 . . . . 73.3 111.107 179.807 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -61.1 -36.4 79.6 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.228 -0.442 . . . . 73.5 111.105 179.933 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 49' ' ' ILE . . . . . . . . . . . . . 75.7 mt -56.48 -56.05 15.88 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.241 -0.436 . . . . 73.11 111.14 179.967 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -65.57 -24.1 67.01 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.189 -0.46 . . . . 75.11 111.111 179.82 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 38.3 tttt -76.94 -34.92 57.61 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.189 -0.459 . . . . 73.32 110.911 179.976 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 52' ' ' GLN . . . . . . . . . . . . . 22.6 mm100 -136.81 -73.43 0.43 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.19 -0.459 . . . . 75.32 110.949 179.951 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . 178.47 154.18 12.35 Favored Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.764 -0.732 . . . . 64.15 112.483 -179.982 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 54' ' ' ILE . . . . . . . . . . . . . 35.3 pt -51.42 -30.28 10.47 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-O 120.934 0.397 . . . . 71.41 111.134 179.989 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -52.06 -47.24 65.22 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.197 -0.456 . . . . 75.13 110.872 179.899 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 3.8 mttp -66.1 -28.53 68.89 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.223 -0.444 . . . . 74.3 110.945 179.837 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -62.96 -34.44 77.51 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.15 -0.477 . . . . 72.43 111.126 179.842 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 58' ' ' ILE . . . . . . . . . . . . . 63.4 mt -61.91 -59.86 3.63 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.231 -0.44 . . . . 74.33 111.148 179.933 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 59' ' ' GLN . . . . . . . . . . . . . 3.8 pt20 -55.26 -26.98 43.3 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.131 -0.486 . . . . 75.53 110.943 179.942 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER . . . . . 0 C--N 1.329 -0.32 0 CA-C-N 116.184 -0.462 . . . . 74.53 110.94 179.999 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 1' ' ' LEU . . . . . . . . . . . . . 58.7 mt . . . . . 0 C--O 1.232 0.138 0 CA-C-O 120.906 0.384 . . . . 74.5 110.931 . . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' A' A ' 2' ' ' VAL . . . . . . . . . . . . . 97.6 t -63.19 -49.22 84.06 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.21 -0.45 . . . . 74.42 111.111 179.89 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . -64.06 -28.62 69.91 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.197 -0.456 . . . . 72.42 111.103 179.857 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 4' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER -73.92 -51.06 17.31 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.238 -0.437 . . . . 74.43 110.906 -179.871 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . 164.87 -25.22 0.18 Allowed Glycine 0 N--CA 1.451 -0.309 0 C-N-CA 120.737 -0.744 . . . . 74.12 112.481 179.962 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 50.3 mm -56.71 139.4 16.24 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-O 120.761 0.315 . . . . 75.22 111.182 179.999 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -51.46 142.93 12.83 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.222 -0.445 . . . . 61.1 111.058 179.831 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 5.1 pt20 -68.09 -43.19 79.09 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.198 -0.455 . . . . 73.04 110.891 -179.948 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -69.11 -42.26 77.35 Favored Glycine 0 N--CA 1.451 -0.337 0 C-N-CA 120.715 -0.755 . . . . 62.0 112.484 -179.956 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 25.7 m -76.36 -25.64 54.88 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.798 0.332 . . . . 74.24 111.163 -179.874 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -51.05 -38.74 53.36 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.213 -0.449 . . . . 74.33 111.08 179.846 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 3.8 tt0 -71.85 -33.39 68.39 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.21 -0.45 . . . . 72.2 110.881 -179.934 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 25.3 tttp -69.43 -54.46 14.27 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.167 -0.47 . . . . 73.42 110.874 179.992 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 15.3 m -52.54 -41.23 36.04 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.225 -0.443 . . . . 72.25 111.122 179.878 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 59.7 t -58.61 -45.11 90.71 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.128 -0.487 . . . . 74.31 111.131 179.946 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 4.2 t -54.01 -33.95 58.56 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.138 -0.483 . . . . 73.22 110.889 -179.87 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -71.52 -28.01 63.59 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.085 -0.507 . . . . 62.31 110.978 179.993 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 18' ' ' ILE . . . . . . . . . . . . . 17.4 mt -65.41 -32.49 58.44 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.138 -0.483 . . . . 74.52 111.144 179.807 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 19.3 t30 -59.01 -21.24 58.72 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.155 -0.475 . . . . 74.32 110.913 179.944 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -64.75 -20.0 66.1 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.185 -0.461 . . . . 74.22 111.098 179.843 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . 90.01 -7.28 81.94 Favored Glycine 0 N--CA 1.452 -0.295 0 C-N-CA 120.736 -0.745 . . . . 74.13 112.481 -179.954 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 4.2 pp -67.45 146.5 53.93 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 120.891 0.377 . . . . 75.11 110.913 -179.943 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 2.3 p -76.61 170.79 15.77 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.168 -0.469 . . . . 74.15 111.163 179.919 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 26.3 m -51.82 -28.91 10.16 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-N 116.232 -0.44 . . . . 74.44 111.152 179.883 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . -52.81 -39.69 55.9 Favored Glycine 0 N--CA 1.451 -0.349 0 C-N-CA 120.729 -0.748 . . . . 63.04 112.488 -179.981 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -70.55 -32.92 70.54 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.83 0.348 . . . . 75.21 110.857 -179.78 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 33.1 mm -60.6 -46.1 96.2 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.137 -0.483 . . . . 74.54 111.114 179.95 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 28' ' ' ILE . . . . . . . . . . . . . 36.5 mm -60.5 -35.39 62.83 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.198 -0.455 . . . . 74.4 111.063 179.92 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 14.7 m -63.42 -31.1 72.16 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.201 -0.454 . . . . 73.24 110.844 -179.843 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 30' ' ' ILE . . . . . . . . . . . . . 50.0 mm -72.7 -60.49 2.37 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.139 -0.482 . . . . 72.25 111.107 179.971 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 4.4 mm? -58.29 -42.07 85.8 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.173 -0.467 . . . . 73.11 110.909 179.906 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . 119.33 -18.02 10.31 Favored Glycine 0 N--CA 1.451 -0.31 0 C-N-CA 120.716 -0.754 . . . . 72.15 112.488 179.911 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . 136.26 -5.74 3.91 Favored Glycine 0 N--CA 1.451 -0.332 0 C-N-CA 120.705 -0.76 . . . . 51.15 112.48 -179.87 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 34' ' ' VAL . . . . . . . . . . . . . 41.2 t -69.96 -34.87 61.81 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-O 120.92 0.39 . . . . 75.21 111.157 179.997 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 8.9 t -87.81 10.08 19.68 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.192 -0.458 . . . . 72.45 111.18 179.999 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 36' ' ' VAL . . . . . . . . . . . . . 12.1 p -53.35 -26.72 13.06 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.226 -0.443 . . . . 71.52 111.1 179.96 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . -89.12 -40.78 6.04 Favored Glycine 0 N--CA 1.451 -0.352 0 C-N-CA 120.768 -0.729 . . . . 54.0 112.482 179.998 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 4.3 mm? -66.28 -29.14 69.3 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-O 120.833 0.349 . . . . 74.2 110.918 -179.923 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 4.4 p -54.7 -26.99 37.25 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.166 -0.47 . . . . 74.33 110.822 -179.876 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . -52.05 -31.82 33.78 Favored Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.8 -0.714 . . . . 73.45 112.453 -179.967 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 41' ' ' VAL . . . . . . . . . . . . . 26.9 m -105.1 -22.79 4.7 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-O 120.873 0.368 . . . . 74.55 111.13 -179.958 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 42' ' ' PHE . . . . . . . . . . . . . 12.2 t80 -51.64 -43.13 62.51 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.143 -0.481 . . . . 63.51 110.844 -179.941 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -58.98 -47.58 84.65 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.17 -0.468 . . . . 72.03 111.146 -179.897 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -66.52 -29.46 69.56 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.242 -0.435 . . . . 62.41 111.086 179.846 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 97.7 t -63.59 -38.59 82.66 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.25 -0.432 . . . . 73.12 111.143 179.988 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 41.9 tttm -51.91 -46.97 64.8 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.186 -0.461 . . . . 75.22 110.938 179.894 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -63.55 -30.91 71.96 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.225 -0.443 . . . . 62.41 111.114 179.835 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -57.28 -40.44 77.75 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.165 -0.471 . . . . 64.31 111.079 179.933 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 49' ' ' ILE . . . . . . . . . . . . . 73.6 mt -56.35 -55.67 17.7 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.234 -0.439 . . . . 72.32 111.148 179.963 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -63.86 -24.78 67.88 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.135 -0.484 . . . . 73.22 111.09 179.814 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 3.7 tppt? -77.02 -37.45 54.92 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.223 -0.444 . . . . 74.13 110.879 179.979 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 52' ' ' GLN . . . . . . . . . . . . . 53.4 mt-30 -131.98 -74.35 0.51 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.272 -0.422 . . . . 71.3 110.903 179.996 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . 175.5 153.3 10.16 Favored Glycine 0 N--CA 1.45 -0.373 0 C-N-CA 120.79 -0.719 . . . . 70.22 112.515 -179.967 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 54' ' ' ILE . . . . . . . . . . . . . 16.4 pt -51.83 -35.45 17.97 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-O 120.917 0.389 . . . . 70.55 111.112 -179.947 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 8.9 ptpp? -56.2 -44.85 79.88 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.156 -0.475 . . . . 73.34 110.883 179.866 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 21.2 mmmt -65.7 -38.4 89.13 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.247 -0.433 . . . . 61.01 110.903 179.857 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -56.92 -32.95 66.46 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.207 -0.451 . . . . 73.0 111.133 179.814 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 58' ' ' ILE . . . . . . . . . . . . . 78.5 mt -58.8 -58.69 5.68 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.205 -0.452 . . . . 74.41 111.182 179.946 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 59' ' ' GLN . . . . . . . . . . . . . 52.1 mt-30 -51.75 -33.11 33.38 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.107 -0.497 . . . . 75.41 110.891 179.937 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 1.2 mp . . . . . 0 C--N 1.329 -0.322 0 CA-C-N 116.185 -0.462 . . . . 72.2 110.94 -179.992 . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' A' A ' 1' ' ' LEU . . . . . . . . . . . . . 2.1 mp . . . . . 0 C--O 1.231 0.087 0 CA-C-O 120.857 0.361 . . . . 73.54 110.883 . . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' A' A ' 2' ' ' VAL . . . . . . . . . . . . . 39.1 t -63.16 -49.3 83.79 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.209 -0.451 . . . . 75.45 111.107 179.837 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . -64.36 -30.14 71.19 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.17 -0.468 . . . . 74.23 111.07 179.919 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 4' ' ' TYR . . . . . . . . . . . . . 65.7 t80 -74.08 -49.44 23.99 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.229 -0.441 . . . . 74.14 110.914 -179.843 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . 161.22 -26.85 0.28 Allowed Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 120.781 -0.723 . . . . 74.55 112.542 179.995 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 51.0 mm -58.38 133.84 23.32 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-O 120.837 0.351 . . . . 74.45 111.154 -179.968 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -51.83 137.75 25.42 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.163 -0.471 . . . . 75.02 111.084 179.888 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 43.7 tt0 -67.53 -46.44 72.78 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.204 -0.453 . . . . 62.13 110.889 -179.901 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -54.82 -46.11 77.24 Favored Glycine 0 N--CA 1.451 -0.343 0 C-N-CA 120.716 -0.754 . . . . 71.45 112.503 -179.961 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 94.0 m -76.22 -37.86 57.16 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.766 0.317 . . . . 72.13 111.15 -179.891 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -53.33 -34.65 58.34 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.2 -0.455 . . . . 70.32 111.136 179.885 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 3.4 tt0 -55.61 -56.1 24.28 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.165 -0.47 . . . . 73.13 110.845 -179.935 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 1.3 mptm? -66.3 -38.77 88.49 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.176 -0.465 . . . . 63.41 110.86 -179.973 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 94.1 t -53.47 -37.5 30.26 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.221 -0.445 . . . . 74.23 111.155 179.865 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 57.9 t -55.62 -40.65 60.8 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.205 -0.452 . . . . 75.3 111.11 179.917 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 6.3 t -53.72 -38.02 63.89 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.185 -0.461 . . . . 71.11 110.858 -179.799 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 5.5 mt -71.25 -37.6 71.96 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.115 -0.493 . . . . 61.02 110.906 179.969 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 18' ' ' ILE . . . . . . . . . . . . . 38.7 mt -65.04 -40.62 89.62 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.199 -0.455 . . . . 72.22 111.116 179.88 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 14.9 t-20 -58.23 -25.33 61.54 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.153 -0.476 . . . . 72.51 110.871 179.961 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -64.96 -20.1 66.3 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.182 -0.463 . . . . 52.31 111.094 179.87 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . 87.48 14.46 63.63 Favored Glycine 0 N--CA 1.451 -0.339 0 C-N-CA 120.791 -0.718 . . . . 62.42 112.456 -179.957 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 4.0 mm? -74.94 155.04 37.86 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-O 120.945 0.402 . . . . 74.52 110.871 -179.906 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 17.8 p -84.21 160.69 20.76 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.165 -0.47 . . . . 72.55 111.154 179.947 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 11.3 p -51.44 -29.96 10.11 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.239 -0.437 . . . . 74.35 111.134 179.866 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . -52.95 -49.56 54.57 Favored Glycine 0 N--CA 1.45 -0.372 0 C-N-CA 120.784 -0.722 . . . . 64.32 112.514 179.988 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 1.5 p -70.73 -29.78 66.14 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.839 0.352 . . . . 63.1 110.841 -179.73 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 34.5 mm -60.55 -49.17 85.47 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.137 -0.483 . . . . 72.41 111.124 179.955 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 28' ' ' ILE . . . . . . . . . . . . . 79.1 mt -55.37 -33.02 30.48 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.171 -0.468 . . . . 74.44 111.114 179.837 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 6.2 t -59.91 -51.22 70.61 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.17 -0.468 . . . . 65.02 110.861 -179.861 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 30' ' ' ILE . . . . . . . . . . . . . 3.8 mp -77.59 -24.74 14.6 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.085 -0.507 . . . . 72.5 111.107 179.966 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 6.2 tp -59.9 -27.5 66.78 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.223 -0.444 . . . . 75.35 110.888 179.907 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . 128.09 -38.18 2.14 Favored Glycine 0 N--CA 1.452 -0.292 0 C-N-CA 120.753 -0.737 . . . . 65.42 112.476 179.912 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . 121.98 164.1 12.12 Favored Glycine 0 N--CA 1.451 -0.342 0 C-N-CA 120.76 -0.733 . . . . 73.44 112.503 -179.885 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 34' ' ' VAL . . . . . . . . . . . . . 3.2 t 52.11 27.22 0.13 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-O 120.942 0.401 . . . . 70.15 111.112 -179.961 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 28.5 p -88.64 10.23 21.34 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.22 -0.445 . . . . 75.11 111.132 -179.971 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 36' ' ' VAL . . . . . . . . . . . . . 61.0 t -51.21 102.25 0.03 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.218 -0.446 . . . . 74.44 111.133 179.895 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 162.83 -62.84 0.26 Allowed Glycine 0 N--CA 1.451 -0.339 0 C-N-CA 120.731 -0.747 . . . . 73.4 112.473 179.983 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 1.3 pp -66.72 -13.8 61.77 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.82 0.343 . . . . 74.52 110.939 -179.924 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 74.5 p -51.93 -47.78 64.54 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.165 -0.47 . . . . 74.41 110.82 -179.924 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . -58.3 -20.28 43.33 Favored Glycine 0 N--CA 1.451 -0.342 0 C-N-CA 120.704 -0.76 . . . . 74.42 112.507 -179.946 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 41' ' ' VAL . . . . . . . . . . . . . 90.5 t -94.66 -36.7 7.17 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-O 120.815 0.341 . . . . 72.13 111.129 179.947 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 42' ' ' PHE . . . . . . . . . . . . . 2.2 t80 -53.78 -48.48 69.74 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.216 -0.447 . . . . 71.42 110.881 -179.955 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 1.9 m -54.72 -46.66 74.24 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.118 -0.492 . . . . 73.55 111.164 -179.911 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -61.65 -33.27 73.67 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.202 -0.453 . . . . 74.41 111.099 179.878 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 61.7 t -69.61 -48.11 67.57 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.221 -0.445 . . . . 71.43 111.156 179.931 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 5.5 mtpm? -52.07 -42.34 63.11 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.158 -0.474 . . . . 74.23 110.864 179.941 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -61.93 -40.02 94.06 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.222 -0.444 . . . . 72.45 111.11 179.859 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -57.16 -30.75 64.73 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.209 -0.451 . . . . 74.15 111.094 179.918 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 49' ' ' ILE . . . . . . . . . . . . . 73.1 mt -56.59 -55.86 17.15 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.219 -0.446 . . . . 74.01 111.124 -179.969 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -64.84 -22.43 66.99 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.183 -0.462 . . . . 71.42 111.105 179.823 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 26.9 mmtm -76.92 -46.03 25.72 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.224 -0.443 . . . . 74.25 110.918 179.915 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 52' ' ' GLN . . . . . . . . . . . . . 4.6 mt-30 -124.08 -68.61 0.85 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.24 -0.437 . . . . 73.21 110.94 179.94 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . 173.5 155.97 12.54 Favored Glycine 0 N--CA 1.45 -0.368 0 C-N-CA 120.723 -0.751 . . . . 71.12 112.509 -179.96 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 54' ' ' ILE . . . . . . . . . . . . . 20.5 pt -51.77 -33.69 15.73 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-O 120.876 0.369 . . . . 75.51 111.102 -179.976 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -55.58 -40.0 71.41 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.238 -0.437 . . . . 71.14 110.873 179.87 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 4.7 mptp? -65.87 -38.32 88.48 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.251 -0.431 . . . . 71.42 110.893 179.908 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -55.75 -35.13 65.86 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.212 -0.449 . . . . 73.41 111.1 179.832 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 58' ' ' ILE . . . . . . . . . . . . . 77.3 mt -56.59 -56.12 15.72 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.228 -0.442 . . . . 70.35 111.13 179.97 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 59' ' ' GLN . . . . . . . . . . . . . 35.9 mt-30 -57.65 -27.1 62.54 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.214 -0.448 . . . . 74.55 110.933 179.957 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 C--N 1.328 -0.33 0 CA-C-N 116.165 -0.47 . . . . 71.32 110.92 179.997 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 1' ' ' LEU . . . . . . . . . . . . . 8.1 mp . . . . . 0 C--O 1.231 0.122 0 CA-C-O 120.861 0.362 . . . . 73.44 110.874 . . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' A' A ' 2' ' ' VAL . . . . . . . . . . . . . 71.1 t -62.46 -49.84 82.24 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.239 -0.437 . . . . 65.13 111.138 179.846 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . -64.44 -29.71 70.76 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.203 -0.453 . . . . 72.4 111.132 179.859 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 4' ' ' TYR . . . . . . . . . . . . . 1.1 m-85 -74.26 -50.96 16.8 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.162 -0.472 . . . . 74.14 110.921 -179.861 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . 164.06 -27.28 0.21 Allowed Glycine 0 N--CA 1.452 -0.293 0 C-N-CA 120.73 -0.748 . . . . 55.22 112.465 179.968 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 50.6 mm -56.89 138.03 18.15 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-O 120.841 0.353 . . . . 73.4 111.145 -179.959 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -51.5 143.25 12.41 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.207 -0.451 . . . . 61.34 111.089 179.831 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 24.9 pt20 -67.84 -42.46 81.39 Favored 'General case' 0 C--N 1.33 -0.283 0 CA-C-N 116.252 -0.431 . . . . 73.53 110.895 -179.923 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -68.14 -43.81 79.19 Favored Glycine 0 N--CA 1.452 -0.286 0 C-N-CA 120.732 -0.747 . . . . 71.24 112.492 -179.981 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 63.4 m -75.86 -25.74 56.46 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-O 120.757 0.313 . . . . 65.03 111.091 -179.832 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -51.08 -38.56 52.43 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.223 -0.444 . . . . 65.05 111.121 179.869 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 5.7 tm-20 -71.91 -33.39 68.26 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.269 -0.423 . . . . 75.34 110.919 -179.939 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 8.8 mtpm? -69.36 -54.48 14.31 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.166 -0.47 . . . . 74.43 110.893 179.936 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 14.9 m -52.49 -41.18 35.47 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.258 -0.428 . . . . 73.34 111.093 179.861 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 55.1 t -57.44 -44.15 84.03 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.212 -0.449 . . . . 64.34 111.137 179.918 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 10.1 t -53.6 -35.03 60.44 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.183 -0.462 . . . . 72.45 110.838 -179.834 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 2.7 tp -71.49 -28.79 64.17 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.1 -0.5 . . . . 71.14 110.941 -179.991 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 18' ' ' ILE . . . . . . . . . . . . . 21.3 mt -65.22 -38.26 82.21 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.158 -0.474 . . . . 75.34 111.167 179.808 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 10.0 t-20 -58.74 -22.18 57.09 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.194 -0.457 . . . . 72.44 110.875 179.93 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -64.88 -20.06 66.23 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.125 -0.488 . . . . 74.24 111.074 179.913 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . 93.75 -6.29 73.67 Favored Glycine 0 N--CA 1.451 -0.34 0 C-N-CA 120.753 -0.737 . . . . 63.32 112.483 -179.95 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 3.9 pp -67.65 141.96 56.55 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-O 120.875 0.369 . . . . 74.24 110.915 -179.921 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 30.6 p -76.85 171.46 14.7 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.197 -0.456 . . . . 73.51 111.114 179.976 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 10.5 p -51.41 -30.34 10.51 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.191 -0.459 . . . . 71.23 111.08 179.903 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . -52.98 -38.42 55.38 Favored Glycine 0 N--CA 1.45 -0.368 0 C-N-CA 120.773 -0.727 . . . . 61.54 112.495 -179.975 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 2.1 m -70.77 -31.87 68.8 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 120.853 0.358 . . . . 72.31 110.849 -179.734 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 40.7 mm -61.42 -47.08 95.07 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.101 -0.5 . . . . 62.42 111.143 179.931 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 28' ' ' ILE . . . . . . . . . . . . . 40.2 mm -59.98 -36.37 66.65 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.156 -0.475 . . . . 73.54 111.147 179.837 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 2.0 t -60.55 -32.81 71.85 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.186 -0.461 . . . . 65.13 110.866 -179.934 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 30' ' ' ILE . . . . . . . . . . . . . 51.9 mm -77.19 -54.94 11.93 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.128 -0.487 . . . . 73.41 111.136 179.965 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 4.2 mm? -52.38 -41.9 63.52 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.2 -0.455 . . . . 75.1 110.898 179.91 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . 66.26 23.85 71.77 Favored Glycine 0 N--CA 1.45 -0.372 0 C-N-CA 120.759 -0.734 . . . . 75.2 112.546 179.929 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -138.28 -174.74 13.55 Favored Glycine 0 N--CA 1.452 -0.285 0 C-N-CA 120.746 -0.74 . . . . 74.14 112.427 -179.866 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 34' ' ' VAL . . . . . . . . . . . . . 16.1 m -77.35 59.86 0.12 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-O 120.906 0.384 . . . . 74.24 111.147 -179.967 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 2.8 p -86.93 7.07 28.95 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.186 -0.461 . . . . 75.54 111.151 -179.973 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 36' ' ' VAL . . . . . . . . . . . . . 33.4 m -58.03 -22.52 19.29 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.237 -0.438 . . . . 74.32 111.115 179.945 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . -81.06 -56.33 3.08 Favored Glycine 0 N--CA 1.451 -0.33 0 C-N-CA 120.707 -0.759 . . . . 61.02 112.512 179.982 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 3.1 pp -66.29 -36.68 83.59 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 120.782 0.325 . . . . 72.14 110.903 -179.948 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 39.2 p -59.83 -21.03 60.35 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.208 -0.451 . . . . 72.0 110.847 -179.881 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . -52.65 -27.28 26.81 Favored Glycine 0 N--CA 1.451 -0.34 0 C-N-CA 120.739 -0.743 . . . . 75.34 112.497 179.966 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 41' ' ' VAL . . . . . . . . . . . . . 18.9 m -93.42 -21.59 5.99 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-O 120.808 0.337 . . . . 73.31 111.067 -179.947 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 42' ' ' PHE . . . . . . . . . . . . . 4.7 t80 -51.9 -39.72 59.53 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.249 -0.432 . . . . 74.44 110.891 -179.944 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -59.19 -51.48 69.83 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.156 -0.475 . . . . 74.32 111.146 -179.945 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -63.86 -29.83 70.98 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.188 -0.46 . . . . 72.42 111.073 179.896 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 90.1 t -65.13 -36.11 77.0 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.231 -0.441 . . . . 70.24 111.154 179.959 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 2.5 ttmp? -55.98 -48.8 75.18 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.154 -0.475 . . . . 75.13 110.933 179.869 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -61.99 -30.06 70.68 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.211 -0.45 . . . . 73.33 111.075 179.835 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -58.74 -45.34 89.88 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.226 -0.443 . . . . 74.22 111.147 179.936 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 49' ' ' ILE . . . . . . . . . . . . . 4.1 mt -56.26 -52.84 46.74 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.213 -0.449 . . . . 75.13 111.153 179.964 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -65.08 -25.04 67.63 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.147 -0.478 . . . . 74.32 111.054 179.848 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 31.5 tptt -77.37 -39.82 46.05 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.22 -0.446 . . . . 74.14 110.847 -179.969 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 52' ' ' GLN . . . . . . . . . . . . . 28.2 mm-40 -134.42 -64.5 0.68 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.199 -0.455 . . . . 72.45 110.87 -179.974 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . 165.9 157.61 10.2 Favored Glycine 0 N--CA 1.451 -0.325 0 C-N-CA 120.775 -0.726 . . . . 71.35 112.516 -179.905 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 54' ' ' ILE . . . . . . . . . . . . . 1.7 pp -51.68 -30.56 11.73 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.358 0 CA-C-O 120.941 0.4 . . . . 73.13 111.137 179.988 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 15.2 ptmt -52.58 -46.45 66.92 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.149 -0.478 . . . . 75.53 110.874 179.907 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 32.1 tptt -66.54 -34.79 78.69 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.272 -0.422 . . . . 73.31 110.902 179.883 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -58.08 -33.08 68.68 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.208 -0.451 . . . . 73.4 111.137 179.791 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 58' ' ' ILE . . . . . . . . . . . . . 67.8 mt -57.61 -60.04 2.61 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.19 -0.459 . . . . 74.4 111.162 179.949 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 59' ' ' GLN . . . . . . . . . . . . . 60.7 mm-40 -55.45 -31.9 62.32 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.185 -0.461 . . . . 62.41 110.881 179.971 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 1.2 mt . . . . . 0 C--N 1.328 -0.339 0 CA-C-N 116.252 -0.431 . . . . 71.54 110.886 179.982 . . . . . . . . 0 0 . 1 . 011 nuclear orig core ' A' A ' 1' ' ' LEU . . . . . . . . . . . . . 45.3 mt . . . . . 0 C--O 1.231 0.119 0 CA-C-O 120.864 0.364 . . . . 71.42 110.903 . . . . . . . . . 0 0 . 1 . 011 nuclear orig core ' A' A ' 2' ' ' VAL . . . . . . . . . . . . . 90.3 t -59.5 -51.43 72.74 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.238 -0.437 . . . . 73.42 111.115 179.852 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . -65.07 -28.69 69.64 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.181 -0.463 . . . . 75.45 111.063 179.912 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 4' ' ' TYR . . . . . . . . . . . . . 2.7 m-85 -74.1 -50.65 18.56 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.223 -0.444 . . . . 64.24 110.936 -179.868 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . 160.79 49.75 0.02 OUTLIER Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.759 -0.734 . . . . 75.24 112.513 179.973 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 45.9 mm -131.28 144.24 38.26 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-O 120.849 0.357 . . . . 74.02 111.107 -179.975 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -51.46 151.2 3.18 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.138 -0.483 . . . . 74.44 111.078 179.86 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 28.9 tt0 -68.0 -57.11 6.7 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.214 -0.448 . . . . 73.23 110.908 -179.914 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -71.0 -37.17 64.4 Favored Glycine 0 N--CA 1.451 -0.325 0 C-N-CA 120.777 -0.725 . . . . 62.33 112.52 179.995 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 3.3 m -70.91 -25.78 62.92 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-O 120.776 0.322 . . . . 74.43 111.157 -179.892 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -51.01 -38.73 53.08 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.209 -0.451 . . . . 71.34 111.093 179.872 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 39.9 mt-10 -71.8 -33.56 68.65 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.227 -0.442 . . . . 72.3 110.861 -179.898 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 32.9 tttt -69.27 -54.5 14.35 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.183 -0.462 . . . . 73.11 110.902 179.935 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 15.4 m -52.76 -41.16 37.89 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.264 0 CA-C-N 116.234 -0.439 . . . . 74.54 111.144 179.911 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 72.5 t -61.12 -42.81 94.67 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.133 -0.485 . . . . 74.4 111.148 179.893 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 3.2 t -53.48 -34.94 59.88 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.19 -0.459 . . . . 75.1 110.868 -179.879 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 3.0 mm? -71.54 -28.88 64.18 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.12 -0.491 . . . . 72.33 110.894 -179.959 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 18' ' ' ILE . . . . . . . . . . . . . 21.4 mt -65.3 -48.12 84.58 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.217 -0.447 . . . . 74.1 111.128 179.849 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 10.2 t-20 -58.37 -22.79 54.93 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.178 -0.464 . . . . 74.2 110.866 179.937 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -64.87 -20.01 66.2 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.179 -0.464 . . . . 73.13 111.123 179.869 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . 82.82 83.08 0.89 Allowed Glycine 0 N--CA 1.452 -0.271 0 C-N-CA 120.759 -0.734 . . . . 71.14 112.468 -179.987 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 8.9 mt -160.2 162.08 33.72 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.912 0.387 . . . . 71.5 110.875 -179.924 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 1.3 p -77.15 157.11 31.15 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.203 -0.453 . . . . 73.33 111.124 179.958 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 18.8 m -51.4 -30.26 10.38 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.194 -0.457 . . . . 75.14 111.075 179.954 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . -53.05 -41.7 60.37 Favored Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 120.727 -0.749 . . . . 63.1 112.495 179.982 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 24.1 t -63.6 -27.92 69.57 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.835 0.35 . . . . 74.33 110.878 -179.775 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 36.7 mm -62.92 -53.5 45.86 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.134 -0.485 . . . . 71.24 111.088 179.965 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 28' ' ' ILE . . . . . . . . . . . . . 65.2 mt -60.23 -32.92 51.84 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.164 -0.471 . . . . 62.14 111.158 179.885 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 2.6 m -55.56 -41.68 73.62 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.156 -0.475 . . . . 75.43 110.885 -179.926 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 30' ' ' ILE . . . . . . . . . . . . . 75.6 mt -77.27 -46.12 28.81 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.103 -0.498 . . . . 75.41 111.111 179.963 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 4.1 mm? -54.49 -41.97 70.21 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.179 -0.464 . . . . 75.5 110.909 179.91 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . 57.51 43.75 93.99 Favored Glycine 0 N--CA 1.451 -0.323 0 C-N-CA 120.78 -0.724 . . . . 55.42 112.502 179.93 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -144.14 -173.3 15.45 Favored Glycine 0 N--CA 1.451 -0.34 0 C-N-CA 120.71 -0.757 . . . . 62.1 112.47 -179.94 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 34' ' ' VAL . . . . . . . . . . . . . 15.7 t -77.66 59.39 0.12 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-O 120.943 0.401 . . . . 72.21 111.099 -179.899 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -86.95 7.01 29.3 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.146 -0.479 . . . . 73.45 111.149 -179.968 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 36' ' ' VAL . . . . . . . . . . . . . 54.6 t -57.7 98.79 0.06 OUTLIER 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.189 -0.459 . . . . 74.22 111.12 179.916 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 143.11 -52.06 0.64 Allowed Glycine 0 N--CA 1.452 -0.252 0 C-N-CA 120.732 -0.747 . . . . 73.25 112.457 179.96 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 7.8 mp -58.6 -23.07 57.98 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-O 120.804 0.335 . . . . 75.23 110.899 -179.862 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 1.7 m -56.1 -25.37 45.39 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.211 -0.45 . . . . 72.33 110.849 -179.942 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . -74.16 -32.29 58.54 Favored Glycine 0 N--CA 1.452 -0.294 0 C-N-CA 120.739 -0.743 . . . . 63.11 112.505 -179.997 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 41' ' ' VAL . . . . . . . . . . . . . 35.5 m -93.35 -24.67 5.09 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-O 120.857 0.36 . . . . 63.14 111.086 -179.939 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 42' ' ' PHE . . . . . . . . . . . . . 24.1 t80 -55.56 -56.02 25.2 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.216 -0.447 . . . . 75.4 110.873 -179.991 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 5.4 t -56.49 -39.06 72.63 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.169 -0.468 . . . . 72.55 111.169 -179.915 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -63.6 -36.41 83.72 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.216 -0.447 . . . . 74.52 111.07 179.904 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 88.7 t -69.64 -35.34 65.45 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.223 -0.444 . . . . 61.14 111.111 179.993 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 1.4 ttmp? -57.75 -51.48 69.39 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.175 -0.466 . . . . 73.11 110.92 179.887 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -57.02 -31.78 65.49 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.252 -0.431 . . . . 74.32 111.105 179.852 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -57.82 -30.21 65.54 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.229 -0.442 . . . . 61.13 111.073 179.936 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 49' ' ' ILE . . . . . . . . . . . . . 78.0 mt -56.38 -55.97 16.13 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-N 116.216 -0.447 . . . . 75.32 111.125 -179.988 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -62.74 -24.21 67.58 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.176 -0.465 . . . . 64.54 111.102 179.812 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 22.7 tttm -76.99 -44.68 30.1 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.179 -0.464 . . . . 75.33 110.908 179.987 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 52' ' ' GLN . . . . . . . . . . . . . 28.5 mt-30 -122.35 -74.63 0.61 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.226 -0.443 . . . . 73.02 110.902 179.963 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . 175.79 153.88 10.88 Favored Glycine 0 N--CA 1.451 -0.328 0 C-N-CA 120.715 -0.755 . . . . 73.31 112.47 -179.953 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 54' ' ' ILE . . . . . . . . . . . . . 16.5 pt -51.71 -35.55 17.64 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-O 120.919 0.39 . . . . 75.22 111.147 179.99 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 12.2 ptmm? -53.19 -47.03 69.21 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.15 -0.477 . . . . 75.34 110.881 179.857 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 17.0 mmmt -66.21 -34.31 77.73 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.263 -0.426 . . . . 73.24 110.897 179.869 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -57.47 -33.56 68.11 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.212 -0.449 . . . . 74.24 111.093 179.817 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 58' ' ' ILE . . . . . . . . . . . . . 79.9 mt -60.45 -60.05 3.19 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.201 -0.454 . . . . 63.41 111.119 -179.991 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 59' ' ' GLN . . . . . . . . . . . . . 31.1 mt-30 -59.73 -26.99 66.09 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.205 -0.452 . . . . 62.24 110.889 179.947 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 2.7 mt . . . . . 0 C--N 1.328 -0.349 0 CA-C-N 116.224 -0.443 . . . . 74.31 110.958 179.971 . . . . . . . . 0 0 . 1 . 012 nuclear orig core ' A' A ' 1' ' ' LEU . . . . . . . . . . . . . 7.0 mp . . . . . 0 C--O 1.231 0.119 0 CA-C-O 120.816 0.341 . . . . 74.32 110.925 . . . . . . . . . 0 0 . 1 . 012 nuclear orig core ' A' A ' 2' ' ' VAL . . . . . . . . . . . . . 39.0 t -63.22 -49.51 82.85 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.212 -0.449 . . . . 74.05 111.122 179.84 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . -64.28 -29.22 70.31 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.221 -0.445 . . . . 74.4 111.129 179.85 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 4' ' ' TYR . . . . . . . . . . . . . 0.9 OUTLIER -74.06 -51.09 16.86 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.186 -0.461 . . . . 73.34 110.943 -179.849 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . 161.38 -24.46 0.24 Allowed Glycine 0 N--CA 1.451 -0.34 0 C-N-CA 120.767 -0.73 . . . . 62.32 112.469 179.943 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 2.7 mp -63.23 137.08 25.25 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-O 120.859 0.361 . . . . 74.31 111.15 -179.979 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -51.21 142.08 13.49 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.215 -0.448 . . . . 65.05 111.135 179.807 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 33.0 tt0 -67.6 -48.72 66.01 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.23 -0.441 . . . . 75.31 110.936 -179.97 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -54.55 -48.32 65.81 Favored Glycine 0 N--CA 1.452 -0.298 0 C-N-CA 120.732 -0.747 . . . . 72.43 112.5 -179.988 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 69.2 m -76.97 -25.94 53.36 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-O 120.78 0.324 . . . . 72.23 111.13 -179.825 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -51.61 -39.28 57.71 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.174 -0.466 . . . . 72.45 111.078 179.881 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 4.3 tt0 -72.08 -33.25 67.75 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.238 -0.437 . . . . 73.12 110.863 -179.895 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 33.3 mtmt -69.43 -54.2 15.54 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.212 -0.449 . . . . 64.5 110.895 179.975 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 17.1 m -52.11 -34.99 18.34 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.237 -0.438 . . . . 65.33 111.113 179.876 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 54.2 t -55.51 -47.21 78.81 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.206 -0.452 . . . . 74.15 111.136 179.926 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 22.9 t -53.52 -33.44 54.49 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.171 -0.468 . . . . 71.42 110.846 -179.818 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -71.35 -30.41 66.14 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.098 -0.501 . . . . 64.43 110.927 179.958 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 18' ' ' ILE . . . . . . . . . . . . . 22.4 mt -65.42 -50.01 75.11 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.352 0 CA-C-N 116.213 -0.449 . . . . 75.21 111.092 179.891 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 11.4 t-20 -58.91 -21.6 58.03 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.218 -0.447 . . . . 73.23 110.897 179.9 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -64.81 -20.06 66.18 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.167 -0.469 . . . . 73.15 111.114 179.874 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . 91.46 77.71 1.36 Allowed Glycine 0 N--CA 1.451 -0.323 0 C-N-CA 120.757 -0.735 . . . . 64.51 112.54 -179.946 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 9.1 mt -160.17 144.85 14.66 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.934 0.397 . . . . 72.25 110.895 -179.899 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 69.3 p -76.65 165.47 24.72 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.154 -0.475 . . . . 73.25 111.175 179.947 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 18.6 m -51.48 -30.35 10.77 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.266 -0.425 . . . . 75.32 111.142 179.936 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . -53.22 -36.78 53.38 Favored Glycine 0 N--CA 1.451 -0.339 0 C-N-CA 120.728 -0.748 . . . . 64.43 112.472 -179.992 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 1.8 m -70.51 -28.03 64.65 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.799 0.333 . . . . 74.54 110.825 -179.735 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 47.6 mm -67.9 -49.34 69.76 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.175 -0.466 . . . . 73.3 111.111 179.948 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 28' ' ' ILE . . . . . . . . . . . . . 42.1 mt -51.97 -32.91 15.53 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.177 -0.465 . . . . 72.25 111.136 179.867 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 22.5 m -58.66 -36.71 74.58 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.223 -0.444 . . . . 72.15 110.873 -179.931 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 30' ' ' ILE . . . . . . . . . . . . . 48.7 mt -77.26 -61.04 1.84 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.095 -0.502 . . . . 74.1 111.119 179.967 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 88.1 mt -53.76 -27.97 31.82 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.188 -0.46 . . . . 74.31 110.924 179.911 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . 91.84 13.08 58.44 Favored Glycine 0 N--CA 1.451 -0.305 0 C-N-CA 120.691 -0.766 . . . . 75.41 112.492 179.916 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . 52.17 35.9 43.15 Favored Glycine 0 N--CA 1.451 -0.303 0 C-N-CA 120.754 -0.736 . . . . 54.13 112.495 -179.899 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 34' ' ' VAL . . . . . . . . . . . . . 12.4 p -78.26 -31.08 16.02 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.261 0 CA-C-O 120.925 0.393 . . . . 72.01 111.128 -179.933 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 9.7 t -86.79 -36.47 18.53 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.171 -0.468 . . . . 74.13 111.121 -179.974 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 36' ' ' VAL . . . . . . . . . . . . . 21.3 t 51.0 63.43 0.21 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.249 -0.432 . . . . 74.24 111.12 179.916 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . -179.32 -34.98 0.06 OUTLIER Glycine 0 N--CA 1.452 -0.261 0 C-N-CA 120.748 -0.739 . . . . 74.41 112.494 -179.994 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 7.4 mp -58.24 -23.26 55.35 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.801 0.334 . . . . 72.14 110.896 -179.884 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 6.5 t -65.22 -24.52 67.37 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.235 -0.439 . . . . 74.24 110.882 -179.952 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . -79.42 -30.25 46.04 Favored Glycine 0 N--CA 1.451 -0.364 0 C-N-CA 120.794 -0.717 . . . . 65.51 112.494 179.994 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 41' ' ' VAL . . . . . . . . . . . . . 18.9 m -93.11 -24.09 5.31 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-O 120.889 0.376 . . . . 72.44 111.133 -179.95 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 42' ' ' PHE . . . . . . . . . . . . . 5.0 t80 -62.87 -44.09 97.05 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.16 -0.473 . . . . 75.41 110.861 -179.912 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -57.55 -40.78 79.62 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.12 -0.491 . . . . 74.11 111.142 -179.884 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -65.37 -37.25 86.46 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.217 -0.447 . . . . 64.33 111.122 179.856 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 92.3 t -65.91 -33.32 62.78 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-N 116.198 -0.456 . . . . 70.54 111.155 179.979 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 41.6 tptt -55.89 -52.91 62.41 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.182 -0.463 . . . . 75.23 110.917 179.878 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -62.93 -30.2 71.37 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.237 -0.438 . . . . 65.33 111.08 179.811 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -63.23 -42.87 99.3 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.24 -0.436 . . . . 72.45 111.087 179.974 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 49' ' ' ILE . . . . . . . . . . . . . 59.1 mt -56.42 -55.93 16.43 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.198 -0.455 . . . . 73.43 111.14 179.963 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -65.01 -21.71 66.89 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.179 -0.464 . . . . 71.42 111.064 179.843 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 1.2 mmmm -76.98 -60.96 2.14 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.224 -0.444 . . . . 75.11 110.893 -179.995 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 52' ' ' GLN . . . . . . . . . . . . . 28.3 mm-40 -105.8 -63.89 1.21 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.251 -0.431 . . . . 71.3 110.892 179.941 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . 168.67 157.94 12.05 Favored Glycine 0 N--CA 1.451 -0.344 0 C-N-CA 120.725 -0.75 . . . . 60.14 112.489 -179.956 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 54' ' ' ILE . . . . . . . . . . . . . 18.3 pt -51.6 -34.68 16.2 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-O 120.897 0.379 . . . . 71.41 111.128 -179.952 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 8.2 ptmt -53.97 -46.33 71.62 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.177 -0.465 . . . . 75.34 110.85 179.871 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -66.32 -32.75 74.34 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.286 -0.415 . . . . 72.34 110.877 179.904 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -58.25 -33.58 69.52 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.245 -0.434 . . . . 74.44 111.116 179.806 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 58' ' ' ILE . . . . . . . . . . . . . 79.3 mt -61.12 -59.48 4.2 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.241 -0.436 . . . . 75.41 111.129 -179.997 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 59' ' ' GLN . . . . . . . . . . . . . 0.3 OUTLIER -51.92 -32.53 33.19 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.148 -0.478 . . . . 74.51 110.886 179.956 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 1.1 mt . . . . . 0 C--N 1.328 -0.334 0 CA-C-N 116.236 -0.438 . . . . 74.51 110.926 -180.0 . . . . . . . . 0 0 . 1 . 013 nuclear orig core ' A' A ' 1' ' ' LEU . . . . . . . . . . . . . 4.4 mm? . . . . . 0 C--O 1.231 0.124 0 CA-C-O 120.841 0.353 . . . . 74.34 110.953 . . . . . . . . . 0 0 . 1 . 013 nuclear orig core ' A' A ' 2' ' ' VAL . . . . . . . . . . . . . 90.9 t -63.02 -49.56 83.04 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.172 -0.467 . . . . 73.14 111.154 179.794 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . -64.1 -31.15 72.23 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.18 -0.464 . . . . 72.03 111.107 179.89 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 4' ' ' TYR . . . . . . . . . . . . . 1.0 OUTLIER -74.1 -49.87 22.03 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.201 -0.454 . . . . 71.22 110.918 -179.837 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . 159.15 58.38 0.01 OUTLIER Glycine 0 N--CA 1.451 -0.3 0 C-N-CA 120.733 -0.746 . . . . 72.01 112.449 179.955 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 46.8 mm -140.56 143.8 28.43 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-O 120.831 0.348 . . . . 75.54 111.148 179.982 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -54.06 151.53 6.82 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.162 -0.472 . . . . 75.01 111.164 179.784 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 21.9 tt0 -64.25 -56.98 10.86 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.263 -0.426 . . . . 73.11 110.924 -179.923 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -71.06 -27.05 72.71 Favored Glycine 0 N--CA 1.451 -0.352 0 C-N-CA 120.728 -0.749 . . . . 75.13 112.463 -179.957 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 35.0 m -75.25 -47.27 28.88 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.791 0.329 . . . . 64.52 111.133 -179.881 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -51.53 -30.96 22.31 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.201 -0.454 . . . . 64.14 111.097 179.915 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 7.0 tt0 -69.62 -53.38 19.01 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.197 -0.456 . . . . 75.34 110.912 -179.933 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 44.3 tttm -62.92 -41.65 99.53 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.121 -0.49 . . . . 74.52 110.926 179.952 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 99.0 t -53.12 -34.86 22.07 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.266 0 CA-C-N 116.196 -0.456 . . . . 72.41 111.098 179.914 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 92.2 t -55.43 -40.89 60.16 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.194 -0.457 . . . . 73.44 111.163 179.882 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 5.1 t -61.01 -32.2 71.8 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.16 -0.473 . . . . 74.22 110.856 -179.906 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 1.4 mp -71.32 -31.38 67.33 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.138 -0.483 . . . . 74.32 110.932 -179.954 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 18' ' ' ILE . . . . . . . . . . . . . 29.9 mt -65.22 -48.17 84.57 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.162 -0.472 . . . . 74.3 111.161 179.803 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 18.0 t-20 -57.96 -29.43 65.2 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.176 -0.466 . . . . 74.45 110.889 179.917 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -65.04 -20.06 66.3 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.205 -0.452 . . . . 71.31 111.114 179.905 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . 87.86 18.76 55.68 Favored Glycine 0 N--CA 1.451 -0.361 0 C-N-CA 120.715 -0.755 . . . . 64.25 112.546 -179.942 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 13.4 mt -74.89 154.09 38.35 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 120.894 0.378 . . . . 75.33 110.909 -179.918 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 1.9 p -76.73 139.27 40.39 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.184 -0.462 . . . . 74.12 111.117 179.952 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 19.1 m -51.46 -30.53 10.94 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.204 -0.453 . . . . 74.34 111.095 179.906 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . -54.22 -32.68 51.17 Favored Glycine 0 N--CA 1.451 -0.309 0 C-N-CA 120.745 -0.74 . . . . 74.22 112.482 -179.996 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 6.0 p -67.79 -28.14 67.34 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.847 0.356 . . . . 73.14 110.87 -179.731 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 43.0 mm -60.3 -41.83 88.48 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.158 -0.474 . . . . 72.05 111.161 179.875 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 28' ' ' ILE . . . . . . . . . . . . . 62.0 mt -60.36 -45.72 96.14 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 116.137 -0.483 . . . . 73.13 111.157 179.876 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 15.7 m -57.32 -30.89 65.14 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.149 -0.478 . . . . 62.21 110.895 -179.93 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 30' ' ' ILE . . . . . . . . . . . . . 47.4 mt -70.04 -60.95 1.91 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.081 -0.509 . . . . 74.32 111.084 179.992 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 4.3 mm? -55.21 -42.12 72.89 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.184 -0.462 . . . . 74.44 110.939 179.896 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . 51.75 28.51 23.35 Favored Glycine 0 N--CA 1.451 -0.333 0 C-N-CA 120.762 -0.733 . . . . 41.23 112.474 179.861 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -129.63 61.16 0.66 Allowed Glycine 0 N--CA 1.451 -0.309 0 C-N-CA 120.693 -0.765 . . . . 73.44 112.504 -179.911 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 34' ' ' VAL . . . . . . . . . . . . . 11.7 t 49.55 54.96 0.36 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-O 120.944 0.402 . . . . 73.43 111.142 -179.94 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -87.04 7.47 27.58 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.177 -0.465 . . . . 71.14 111.104 -179.943 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 36' ' ' VAL . . . . . . . . . . . . . 4.8 m -55.04 100.61 0.05 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.261 -0.427 . . . . 73.42 111.171 179.874 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 140.94 -41.47 1.26 Allowed Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 120.774 -0.727 . . . . 74.4 112.503 -179.977 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 74.8 mt -65.43 -18.27 65.19 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.866 0.365 . . . . 72.14 110.971 -179.934 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 13.4 p -69.25 -39.8 78.23 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.139 -0.482 . . . . 73.2 110.853 -179.911 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . -65.17 -22.34 68.92 Favored Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 120.733 -0.746 . . . . 54.14 112.485 -179.937 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 41' ' ' VAL . . . . . . . . . . . . . 6.2 p -101.85 -23.35 4.41 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-O 120.844 0.354 . . . . 72.41 111.162 179.972 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 42' ' ' PHE . . . . . . . . . . . . . 11.2 t80 -58.89 -49.3 78.31 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.2 -0.454 . . . . 74.45 110.929 179.98 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 85.2 m -57.94 -44.18 86.78 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.104 -0.498 . . . . 74.14 111.15 -179.977 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -59.5 -36.64 76.46 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.242 -0.436 . . . . 74.35 111.097 179.889 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 72.1 t -70.76 -32.84 50.4 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.237 -0.438 . . . . 73.2 111.107 -179.977 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 2.2 ttpm? -52.04 -52.79 48.6 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.154 -0.475 . . . . 75.44 110.896 179.94 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -63.3 -30.01 71.22 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.231 -0.44 . . . . 73.22 111.114 179.804 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -57.29 -28.93 63.46 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.237 -0.438 . . . . 65.01 111.079 179.928 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 49' ' ' ILE . . . . . . . . . . . . . 53.0 mt -56.45 -55.8 17.17 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.26 -0.427 . . . . 74.11 111.142 179.996 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -62.19 -23.93 66.91 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.223 -0.444 . . . . 73.54 111.136 179.771 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -76.97 -49.44 15.47 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.242 -0.436 . . . . 74.34 110.93 179.958 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 52' ' ' GLN . . . . . . . . . . . . . 28.4 mm-40 -108.17 -70.98 0.78 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.208 -0.451 . . . . 75.22 110.939 179.921 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . 169.57 156.45 10.88 Favored Glycine 0 N--CA 1.451 -0.303 0 C-N-CA 120.793 -0.718 . . . . 75.53 112.556 -179.965 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 54' ' ' ILE . . . . . . . . . . . . . 51.3 mt -53.81 -43.35 56.18 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-O 120.929 0.395 . . . . 74.31 111.16 179.971 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 8.8 ptpp? -56.73 -43.55 80.76 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.14 -0.482 . . . . 70.12 110.883 179.901 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -65.22 -29.86 70.7 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.2 -0.454 . . . . 74.41 110.913 179.862 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -59.71 -41.28 90.44 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.198 -0.455 . . . . 73.4 111.102 179.807 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 58' ' ' ILE . . . . . . . . . . . . . 61.3 mt -56.56 -58.0 7.12 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.179 -0.464 . . . . 71.21 111.165 179.992 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 59' ' ' GLN . . . . . . . . . . . . . 10.3 mm100 -53.51 -32.42 50.31 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.168 -0.469 . . . . 74.31 110.923 179.943 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 1.3 mt . . . . . 0 C--N 1.328 -0.36 0 CA-C-N 116.185 -0.461 . . . . 73.43 110.911 179.973 . . . . . . . . 0 0 . 1 . 014 nuclear orig core ' A' A ' 1' ' ' LEU . . . . . . . . . . . . . 4.3 mm? . . . . . 0 C--O 1.231 0.104 0 CA-C-O 120.854 0.359 . . . . 73.35 110.961 . . . . . . . . . 0 0 . 1 . 014 nuclear orig core ' A' A ' 2' ' ' VAL . . . . . . . . . . . . . 66.7 t -60.41 -51.41 73.29 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.18 -0.464 . . . . 75.52 111.111 179.83 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . -64.95 -27.22 68.69 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.209 -0.45 . . . . 73.12 111.108 179.891 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 4' ' ' TYR . . . . . . . . . . . . . 2.3 m-85 -73.92 -50.98 17.58 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.206 -0.452 . . . . 72.21 110.909 -179.831 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . 163.05 -26.18 0.22 Allowed Glycine 0 N--CA 1.452 -0.292 0 C-N-CA 120.708 -0.758 . . . . 61.42 112.486 179.958 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 48.1 mm -61.49 138.94 21.34 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-O 120.779 0.323 . . . . 75.33 111.149 -179.962 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -51.45 143.16 12.38 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.169 -0.469 . . . . 72.34 111.087 179.819 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 26.6 tt0 -67.97 -56.94 7.13 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.215 -0.448 . . . . 70.11 110.894 -179.903 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -52.17 -42.31 55.17 Favored Glycine 0 N--CA 1.451 -0.341 0 C-N-CA 120.745 -0.741 . . . . 65.34 112.501 179.984 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 27.4 m -77.03 -25.7 52.87 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-O 120.758 0.313 . . . . 72.43 111.141 -179.847 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -50.79 -39.02 51.62 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.195 -0.457 . . . . 72.31 111.106 179.927 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 3.3 tt0 -71.89 -33.86 68.69 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.227 -0.442 . . . . 75.53 110.874 -179.961 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 34.9 mttm -69.45 -54.45 14.26 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.126 -0.488 . . . . 72.11 110.92 179.963 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 4.1 p -52.74 -43.07 43.77 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.216 -0.447 . . . . 72.22 111.127 179.892 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 55.6 t -55.4 -45.76 78.25 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.148 -0.478 . . . . 71.41 111.139 179.915 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 1.3 t -57.04 -32.55 66.31 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.203 -0.453 . . . . 52.42 110.925 -179.911 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 2.4 mm? -71.54 -27.67 63.34 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.116 -0.493 . . . . 71.41 110.932 179.955 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 18' ' ' ILE . . . . . . . . . . . . . 19.7 mt -63.26 -46.85 94.62 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.227 -0.442 . . . . 72.52 111.136 179.833 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 13.1 t-20 -58.83 -21.91 57.65 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.21 -0.45 . . . . 73.0 110.864 179.926 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -64.9 -20.09 66.26 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.212 -0.449 . . . . 62.42 111.105 179.903 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . 102.96 -5.31 50.16 Favored Glycine 0 N--CA 1.451 -0.303 0 C-N-CA 120.712 -0.756 . . . . 50.42 112.495 -179.959 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 75.3 mt -67.68 126.29 28.91 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-O 120.923 0.392 . . . . 71.1 110.895 -179.909 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 5.8 p -76.75 173.19 11.95 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.142 -0.481 . . . . 71.04 111.135 179.959 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 22.1 m -51.4 -30.33 10.46 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.231 -0.44 . . . . 73.43 111.133 179.932 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . -64.36 -43.1 97.32 Favored Glycine 0 N--CA 1.451 -0.328 0 C-N-CA 120.762 -0.732 . . . . 71.03 112.485 179.939 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 2.4 m -70.7 -32.22 69.37 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.824 0.345 . . . . 72.02 110.871 -179.741 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 42.7 mm -60.55 -54.9 28.76 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-N 116.15 -0.477 . . . . 75.23 111.147 179.896 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 28' ' ' ILE . . . . . . . . . . . . . 50.3 mm -53.63 -34.42 24.14 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.169 -0.469 . . . . 72.32 111.154 179.881 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 34.2 t -62.87 -33.03 74.42 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.119 -0.491 . . . . 62.43 110.881 -179.931 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 30' ' ' ILE . . . . . . . . . . . . . 50.1 mm -70.07 -25.17 27.19 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.156 -0.475 . . . . 75.33 111.132 179.947 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 4.1 tp -82.47 -25.76 33.26 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.192 -0.458 . . . . 74.41 110.89 179.914 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . 127.96 -21.59 5.54 Favored Glycine 0 N--CA 1.451 -0.346 0 C-N-CA 120.805 -0.712 . . . . 70.4 112.514 179.899 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . 94.83 -4.65 68.71 Favored Glycine 0 N--CA 1.452 -0.292 0 C-N-CA 120.756 -0.735 . . . . 75.01 112.514 -179.907 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 34' ' ' VAL . . . . . . . . . . . . . 18.0 m -74.0 -8.8 12.19 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-O 120.884 0.373 . . . . 75.24 111.108 -179.997 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -78.8 -69.82 0.54 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.233 -0.44 . . . . 75.42 111.113 -179.978 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 36' ' ' VAL . . . . . . . . . . . . . 30.3 t 53.11 77.26 0.07 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.196 -0.456 . . . . 73.41 111.113 179.925 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 157.78 -39.2 0.54 Allowed Glycine 0 N--CA 1.451 -0.325 0 C-N-CA 120.749 -0.739 . . . . 73.43 112.533 179.975 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -58.63 -25.34 62.6 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.795 0.331 . . . . 65.35 110.892 -179.933 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -54.81 -30.96 58.53 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.172 -0.467 . . . . 71.03 110.851 -179.892 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . -75.39 -21.78 76.91 Favored Glycine 0 N--CA 1.451 -0.305 0 C-N-CA 120.76 -0.733 . . . . 54.33 112.472 -179.999 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 41' ' ' VAL . . . . . . . . . . . . . 98.5 t -93.56 -31.56 4.58 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-O 120.869 0.366 . . . . 75.32 111.152 -179.966 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 42' ' ' PHE . . . . . . . . . . . . . 5.4 t80 -65.04 -48.34 74.18 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.141 -0.482 . . . . 63.51 110.839 -179.963 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 4.4 t -54.07 -40.92 67.63 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.118 -0.492 . . . . 73.15 111.175 -179.905 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -66.45 -36.64 83.27 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.208 -0.451 . . . . 71.44 111.096 179.867 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 93.6 t -70.9 -36.69 65.13 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.191 -0.459 . . . . 74.24 111.137 179.971 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 11.7 tttp -51.88 -51.13 58.95 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.184 -0.462 . . . . 74.02 110.953 179.874 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -63.03 -30.5 71.65 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.232 -0.44 . . . . 74.11 111.117 179.793 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -59.63 -39.56 84.72 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.225 -0.443 . . . . 61.32 111.08 179.923 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 49' ' ' ILE . . . . . . . . . . . . . 73.6 mt -56.0 -56.01 15.17 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.344 0 CA-C-N 116.253 -0.43 . . . . 72.13 111.117 179.985 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -64.6 -20.55 66.32 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.185 -0.461 . . . . 63.02 111.071 179.854 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -76.85 -59.37 2.8 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.259 -0.428 . . . . 75.33 110.882 179.973 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 52' ' ' GLN . . . . . . . . . . . . . 37.8 mm-40 -100.59 -74.96 0.59 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.184 -0.462 . . . . 74.34 110.909 179.985 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . 175.93 153.91 10.96 Favored Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 120.756 -0.735 . . . . 63.31 112.483 -179.976 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 54' ' ' ILE . . . . . . . . . . . . . 15.8 pt -51.64 -36.02 17.96 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-O 120.847 0.356 . . . . 72.51 111.1 -179.981 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 9.1 ptpp? -57.11 -46.05 82.93 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.203 -0.453 . . . . 73.42 110.92 179.871 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 35.1 mmtm -66.35 -33.04 74.82 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.235 -0.439 . . . . 62.22 110.887 179.846 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -55.45 -41.12 72.45 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.199 -0.455 . . . . 74.0 111.171 179.842 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 58' ' ' ILE . . . . . . . . . . . . . 63.6 mt -56.24 -60.02 2.27 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.207 -0.451 . . . . 73.41 111.15 179.953 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 59' ' ' GLN . . . . . . . . . . . . . 47.7 mt-30 -56.5 -27.29 56.83 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.158 -0.474 . . . . 72.12 110.927 179.921 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER . . . . . 0 C--N 1.329 -0.307 0 CA-C-N 116.195 -0.457 . . . . 70.44 110.944 -179.97 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 1' ' ' LEU . . . . . . . . . . . . . 10.7 mt . . . . . 0 C--O 1.231 0.101 0 CA-C-O 120.84 0.353 . . . . 75.52 110.866 . . . . . . . . . 0 0 . 1 . 015 nuclear orig core ' A' A ' 2' ' ' VAL . . . . . . . . . . . . . 51.3 t -63.05 -48.97 85.37 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.224 -0.443 . . . . 72.45 111.136 179.857 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . -64.01 -29.96 71.07 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.109 -0.496 . . . . 65.03 111.113 179.856 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 4' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER -74.13 -49.34 24.23 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.242 -0.435 . . . . 74.55 110.919 -179.852 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . 161.79 -25.45 0.24 Allowed Glycine 0 N--CA 1.451 -0.307 0 C-N-CA 120.71 -0.757 . . . . 61.32 112.477 179.969 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 33.6 mt -56.94 136.88 19.55 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-O 120.843 0.354 . . . . 74.34 111.08 -179.906 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -51.61 134.33 29.84 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.138 -0.483 . . . . 71.53 111.079 179.804 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 39.4 tt0 -67.83 -55.09 14.28 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.216 -0.447 . . . . 72.22 110.929 -179.957 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -52.19 -42.67 55.92 Favored Glycine 0 N--CA 1.451 -0.35 0 C-N-CA 120.708 -0.758 . . . . 74.14 112.481 -179.944 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 95.7 m -75.71 -40.43 55.73 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 120.777 0.323 . . . . 72.44 111.141 -179.879 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -51.37 -30.97 20.66 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.222 -0.445 . . . . 72.34 111.117 179.841 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 14.2 tt0 -58.4 -57.08 14.48 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.209 -0.45 . . . . 72.1 110.896 -179.943 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 18.6 ptmt -68.42 -33.87 74.99 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.151 -0.477 . . . . 74.53 110.886 179.981 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 91.7 t -57.39 -35.01 47.81 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.26 -0.427 . . . . 72.44 111.103 179.875 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 97.7 t -55.36 -48.12 77.22 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.137 -0.483 . . . . 75.13 111.119 179.95 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 18.1 t -53.01 -32.96 49.5 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.166 -0.47 . . . . 75.14 110.846 -179.858 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 1.8 mp -71.36 -33.67 69.77 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.196 -0.456 . . . . 75.52 110.901 -179.983 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 18' ' ' ILE . . . . . . . . . . . . . 28.6 mt -65.22 -49.56 78.37 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.361 0 CA-C-N 116.206 -0.452 . . . . 73.23 111.106 179.843 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 3.2 m120 -57.71 -24.48 57.1 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.201 -0.454 . . . . 61.22 110.87 179.933 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -64.95 -20.08 66.28 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.162 -0.472 . . . . 65.41 111.079 179.892 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . 96.82 12.37 50.38 Favored Glycine 0 N--CA 1.451 -0.301 0 C-N-CA 120.716 -0.754 . . . . 74.23 112.442 -179.997 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 4.2 mm? -74.91 140.25 43.65 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-O 120.917 0.389 . . . . 74.33 110.919 -179.925 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 39.9 p -82.73 160.39 22.35 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.202 -0.453 . . . . 62.22 111.152 179.93 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 11.8 p -51.42 -30.52 10.81 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.196 -0.456 . . . . 74.34 111.132 179.938 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . -53.07 -43.95 62.58 Favored Glycine 0 N--CA 1.451 -0.338 0 C-N-CA 120.744 -0.741 . . . . 63.41 112.471 179.959 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 1.1 t -69.89 -34.83 74.06 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.809 0.338 . . . . 74.24 110.852 -179.702 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 35.3 mm -60.38 -39.1 79.96 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.161 -0.472 . . . . 74.14 111.154 179.905 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 28' ' ' ILE . . . . . . . . . . . . . 60.3 mt -60.43 -45.5 96.68 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.179 -0.464 . . . . 73.44 111.104 179.877 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 14.3 t -63.43 -31.41 72.56 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.204 -0.453 . . . . 73.04 110.896 -179.912 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 30' ' ' ILE . . . . . . . . . . . . . 28.4 mt -70.02 -61.13 1.81 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.13 -0.486 . . . . 73.25 111.099 179.937 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 61.9 mt -60.79 -42.33 97.37 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.181 -0.463 . . . . 74.11 110.935 179.901 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . 51.48 30.97 27.83 Favored Glycine 0 N--CA 1.451 -0.356 0 C-N-CA 120.804 -0.713 . . . . 71.33 112.476 179.943 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -128.15 70.85 0.5 Allowed Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 120.773 -0.727 . . . . 74.31 112.537 -179.966 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 34' ' ' VAL . . . . . . . . . . . . . 8.5 t 49.41 50.97 0.4 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-O 120.935 0.397 . . . . 65.03 111.132 -179.991 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -87.49 8.65 23.93 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.191 -0.459 . . . . 75.11 111.192 -179.969 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 36' ' ' VAL . . . . . . . . . . . . . 55.3 t -55.83 -24.78 17.54 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.169 -0.468 . . . . 72.21 111.104 179.932 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . -90.75 -21.35 37.02 Favored Glycine 0 N--CA 1.452 -0.243 0 C-N-CA 120.701 -0.762 . . . . 74.34 112.505 179.98 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 4.3 mm? -66.2 -17.97 65.06 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.805 0.336 . . . . 74.22 110.911 -179.938 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 82.7 p -52.61 -29.17 24.51 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.18 -0.463 . . . . 72.24 110.831 -179.883 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . -99.0 -12.21 43.68 Favored Glycine 0 N--CA 1.452 -0.291 0 C-N-CA 120.745 -0.741 . . . . 72.33 112.433 -179.956 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 41' ' ' VAL . . . . . . . . . . . . . 93.7 t -93.26 -59.08 3.23 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-O 120.839 0.352 . . . . 72.14 111.105 -179.959 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 42' ' ' PHE . . . . . . . . . . . . . 2.6 t80 -51.87 -31.3 27.39 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.178 -0.465 . . . . 71.21 110.877 -179.967 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -61.7 -53.36 57.12 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.16 -0.473 . . . . 70.14 111.126 -179.914 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -58.94 -34.93 72.3 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.227 -0.442 . . . . 61.43 111.104 179.883 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 87.4 t -64.76 -46.26 92.66 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.232 -0.44 . . . . 73.22 111.108 179.986 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 7.0 mtpm? -54.97 -45.2 74.95 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.177 -0.465 . . . . 74.35 110.916 179.936 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -63.43 -36.47 83.85 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.209 -0.45 . . . . 73.54 111.073 179.861 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -58.39 -32.28 68.46 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.224 -0.444 . . . . 74.0 111.12 179.937 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 49' ' ' ILE . . . . . . . . . . . . . 78.8 mt -56.15 -55.78 16.7 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.194 -0.457 . . . . 73.42 111.173 179.926 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -64.36 -22.73 67.05 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.119 -0.491 . . . . 74.41 111.053 179.851 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER -76.84 -47.97 19.81 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.223 -0.444 . . . . 74.33 110.95 179.936 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 52' ' ' GLN . . . . . . . . . . . . . 23.2 mm-40 -122.13 -67.53 0.95 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.169 -0.469 . . . . 75.13 110.902 179.98 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . 170.71 156.32 11.31 Favored Glycine 0 N--CA 1.451 -0.307 0 C-N-CA 120.748 -0.739 . . . . 72.04 112.466 -179.976 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 54' ' ' ILE . . . . . . . . . . . . . 16.7 pt -51.7 -35.35 17.36 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-O 120.94 0.4 . . . . 74.32 111.165 -179.994 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -56.56 -42.95 79.46 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.163 -0.471 . . . . 72.34 110.873 179.863 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -66.31 -35.36 80.17 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.226 -0.443 . . . . 72.15 110.931 179.846 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -56.33 -33.93 66.08 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.219 -0.446 . . . . 72.0 111.087 179.86 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 58' ' ' ILE . . . . . . . . . . . . . 78.7 mt -56.39 -58.34 5.69 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.219 -0.446 . . . . 73.2 111.088 179.987 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 59' ' ' GLN . . . . . . . . . . . . . 67.6 mt-30 -56.1 -29.72 61.02 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.166 -0.47 . . . . 73.12 110.912 179.962 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER . . . . . 0 C--N 1.329 -0.318 0 CA-C-N 116.212 -0.449 . . . . 75.11 110.931 179.981 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 1' ' ' LEU . . . . . . . . . . . . . 40.6 mt . . . . . 0 C--O 1.231 0.089 0 CA-C-O 120.893 0.378 . . . . 75.32 110.9 . . . . . . . . . 0 0 . 1 . 016 nuclear orig core ' A' A ' 2' ' ' VAL . . . . . . . . . . . . . 48.5 t -62.99 -49.19 84.54 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.252 0 CA-C-N 116.158 -0.474 . . . . 72.23 111.146 179.867 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . -64.16 -29.17 70.3 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.185 -0.462 . . . . 70.22 111.062 179.892 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 4' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER -73.97 -50.99 17.43 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.28 -0.418 . . . . 75.21 110.87 -179.809 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . 163.77 -27.11 0.21 Allowed Glycine 0 N--CA 1.451 -0.351 0 C-N-CA 120.777 -0.725 . . . . 75.52 112.525 179.998 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 50.8 mm -56.81 135.69 20.35 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-O 120.818 0.342 . . . . 73.41 111.134 -179.982 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -51.62 135.46 28.5 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.172 -0.467 . . . . 54.44 111.12 179.801 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 6.3 pt20 -68.01 -42.78 80.18 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.238 -0.437 . . . . 73.33 110.912 -179.909 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -58.01 -47.65 87.72 Favored Glycine 0 N--CA 1.451 -0.336 0 C-N-CA 120.731 -0.747 . . . . 71.13 112.48 -179.988 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 94.0 m -76.82 -32.93 57.94 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.768 0.318 . . . . 72.24 111.138 -179.878 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -51.66 -48.16 63.53 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.22 -0.445 . . . . 74.13 111.151 179.844 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 18.3 mt-10 -51.97 -48.64 64.25 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.233 -0.44 . . . . 73.22 110.871 -179.961 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 61.1 mttm -68.43 -39.35 81.58 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.197 -0.456 . . . . 75.44 110.889 179.97 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 99.6 t -61.24 -34.98 62.98 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.188 -0.46 . . . . 74.25 111.165 179.847 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 98.9 t -55.48 -38.78 50.56 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.158 -0.474 . . . . 73.13 111.077 179.948 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 3.9 t -61.13 -33.85 74.05 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.187 -0.46 . . . . 72.04 110.865 -179.836 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 4.4 mp -71.3 -37.95 71.8 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.129 -0.487 . . . . 74.34 110.912 179.987 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 18' ' ' ILE . . . . . . . . . . . . . 34.3 mt -65.03 -50.04 76.65 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.199 -0.455 . . . . 73.42 111.152 179.831 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 57.4 m-80 -58.84 -26.73 64.46 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.128 -0.487 . . . . 74.31 110.848 179.969 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -64.96 -20.04 66.28 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.168 -0.469 . . . . 73.31 111.112 179.866 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . 94.15 17.75 39.15 Favored Glycine 0 N--CA 1.451 -0.309 0 C-N-CA 120.705 -0.76 . . . . 74.31 112.534 -179.93 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 4.1 mm? -74.85 141.17 44.26 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.853 0.358 . . . . 75.13 110.922 -179.919 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 19.1 p -76.81 157.68 31.38 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.218 -0.447 . . . . 72.34 111.135 179.932 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 18.3 m -51.37 -30.26 10.25 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.203 -0.453 . . . . 71.14 111.175 179.866 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . -53.28 -52.18 42.28 Favored Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 120.788 -0.72 . . . . 70.45 112.489 179.939 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 30.0 t -63.82 -26.75 68.76 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.873 0.368 . . . . 72.02 110.911 -179.754 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 25.4 mm -67.82 -47.39 79.66 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 116.093 -0.503 . . . . 75.23 111.149 179.916 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 28' ' ' ILE . . . . . . . . . . . . . 40.2 mm -51.85 -32.99 15.25 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.172 -0.467 . . . . 72.41 111.13 179.827 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 23.1 t -60.35 -50.64 72.8 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.21 -0.45 . . . . 74.41 110.872 -179.921 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 30' ' ' ILE . . . . . . . . . . . . . 39.2 mm -77.27 -25.82 15.35 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.109 -0.496 . . . . 72.32 111.081 179.979 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 47.3 mt -63.77 -24.42 67.76 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.225 -0.443 . . . . 75.25 110.956 179.893 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . 128.16 -38.14 2.14 Favored Glycine 0 N--CA 1.451 -0.339 0 C-N-CA 120.704 -0.76 . . . . 61.12 112.479 179.887 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . 130.31 146.43 5.95 Favored Glycine 0 N--CA 1.452 -0.292 0 C-N-CA 120.723 -0.751 . . . . 52.41 112.475 -179.921 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 34' ' ' VAL . . . . . . . . . . . . . 3.2 t 51.14 28.16 0.14 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-O 120.922 0.391 . . . . 75.32 111.116 -179.962 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 2.6 p -88.68 10.29 21.23 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.169 -0.469 . . . . 75.31 111.122 -179.957 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 36' ' ' VAL . . . . . . . . . . . . . 14.9 p -51.1 -29.23 7.85 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.195 -0.457 . . . . 74.42 111.126 179.93 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . -56.23 -64.64 4.21 Favored Glycine 0 N--CA 1.451 -0.325 0 C-N-CA 120.742 -0.742 . . . . 55.02 112.5 179.984 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 1.8 mt -66.48 -28.11 68.32 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.834 0.35 . . . . 72.14 110.901 -179.911 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -60.58 -19.97 59.15 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.156 -0.475 . . . . 64.21 110.863 -179.93 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . -51.96 -27.64 22.27 Favored Glycine 0 N--CA 1.452 -0.275 0 C-N-CA 120.713 -0.756 . . . . 74.43 112.471 -179.97 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 41' ' ' VAL . . . . . . . . . . . . . 19.1 m -94.79 -21.99 5.57 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-O 120.823 0.344 . . . . 73.41 111.116 -179.962 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 42' ' ' PHE . . . . . . . . . . . . . 5.3 t80 -51.67 -42.37 62.09 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.15 -0.477 . . . . 75.33 110.892 -179.964 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -62.21 -46.33 89.39 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.149 -0.478 . . . . 75.52 111.153 -179.903 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -66.55 -34.04 77.01 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.196 -0.456 . . . . 55.32 111.061 179.888 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 98.9 t -63.55 -41.43 92.64 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.236 -0.438 . . . . 75.33 111.1 179.998 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 1.7 tmmm? -54.83 -39.7 68.83 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.181 -0.463 . . . . 74.52 110.915 179.921 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -62.83 -32.81 74.09 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.204 -0.453 . . . . 74.31 111.134 179.8 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -57.24 -36.37 70.86 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.175 -0.466 . . . . 61.41 111.091 179.965 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 49' ' ' ILE . . . . . . . . . . . . . 61.5 mt -56.37 -55.89 16.51 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.231 -0.44 . . . . 75.42 111.149 179.995 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -63.84 -22.44 66.92 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.184 -0.462 . . . . 73.14 111.125 179.79 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 15.1 mmmt -76.92 -61.05 2.11 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.199 -0.455 . . . . 73.32 110.907 179.956 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 52' ' ' GLN . . . . . . . . . . . . . 29.7 mm100 -110.3 -58.55 2.06 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.197 -0.456 . . . . 74.33 110.906 179.951 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . 161.54 159.04 9.79 Favored Glycine 0 N--CA 1.451 -0.342 0 C-N-CA 120.76 -0.733 . . . . 75.34 112.52 -179.97 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 54' ' ' ILE . . . . . . . . . . . . . 23.4 pt -51.6 -30.23 11.02 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-O 120.916 0.389 . . . . 74.43 111.165 -179.973 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 6.2 ptpp? -54.17 -44.63 71.65 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.136 -0.484 . . . . 73.2 110.854 179.846 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 11.5 mmmt -64.77 -33.21 75.44 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.254 -0.43 . . . . 74.11 110.921 179.9 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -64.53 -32.74 74.5 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.208 -0.451 . . . . 73.25 111.104 179.805 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 58' ' ' ILE . . . . . . . . . . . . . 70.5 mt -63.54 -60.67 2.39 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.208 -0.451 . . . . 74.3 111.148 179.974 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 59' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -60.51 -26.43 66.85 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.181 -0.463 . . . . 71.24 110.87 179.986 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER . . . . . 0 C--N 1.328 -0.335 0 CA-C-N 116.184 -0.462 . . . . 73.3 110.971 179.992 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 1' ' ' LEU . . . . . . . . . . . . . 6.3 mp . . . . . 0 C--O 1.231 0.091 0 CA-C-O 120.892 0.377 . . . . 72.32 110.923 . . . . . . . . . 0 0 . 1 . 017 nuclear orig core ' A' A ' 2' ' ' VAL . . . . . . . . . . . . . 75.8 t -61.6 -50.7 79.21 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.153 -0.476 . . . . 73.44 111.117 179.864 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . -64.46 -29.4 70.44 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.157 -0.474 . . . . 73.51 111.069 179.94 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 4' ' ' TYR . . . . . . . . . . . . . 62.2 t80 -74.14 -51.06 16.77 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.233 -0.44 . . . . 75.54 110.948 -179.877 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . 164.21 -27.04 0.2 Allowed Glycine 0 N--CA 1.451 -0.355 0 C-N-CA 120.743 -0.741 . . . . 73.01 112.485 179.963 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 50.8 mm -56.95 132.39 21.18 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-O 120.859 0.361 . . . . 71.42 111.114 -179.954 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -51.66 145.97 8.45 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.202 -0.454 . . . . 75.31 111.093 179.817 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 10.5 mt-30 -68.01 -56.92 7.17 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.21 -0.45 . . . . 55.43 110.89 -179.911 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -54.72 -41.53 75.13 Favored Glycine 0 N--CA 1.452 -0.291 0 C-N-CA 120.753 -0.737 . . . . 54.32 112.486 -179.957 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 18.0 m -75.39 -32.83 60.91 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-O 120.792 0.33 . . . . 55.4 111.144 -179.84 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -52.22 -51.93 55.39 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.202 -0.453 . . . . 73.4 111.109 179.878 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 20.0 tt0 -52.76 -49.44 65.51 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.244 -0.434 . . . . 74.51 110.862 -179.91 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 14.3 ttmm -62.29 -45.8 91.61 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.142 -0.481 . . . . 74.35 110.948 179.935 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 92.0 t -57.0 -35.63 48.12 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.227 -0.442 . . . . 75.2 111.141 179.858 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 81.4 t -55.77 -45.45 79.45 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.184 -0.462 . . . . 74.33 111.149 179.851 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 23.2 t -57.08 -35.6 69.58 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.216 -0.447 . . . . 73.34 110.883 -179.855 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 3.2 mp -65.14 -34.97 79.66 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.128 -0.487 . . . . 74.32 110.921 179.956 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 18' ' ' ILE . . . . . . . . . . . . . 17.5 mt -65.76 -50.05 73.38 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.198 -0.455 . . . . 73.11 111.115 179.882 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 3.2 t-20 -59.92 -18.87 48.29 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.153 -0.476 . . . . 72.43 110.888 179.95 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -64.19 -20.08 65.77 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.153 -0.476 . . . . 74.13 111.103 179.87 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . 80.17 85.9 0.61 Allowed Glycine 0 N--CA 1.451 -0.31 0 C-N-CA 120.737 -0.744 . . . . 73.12 112.479 -179.937 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 4.1 pp -162.22 166.77 25.05 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.857 0.361 . . . . 74.22 110.916 -179.925 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER -76.65 144.42 39.47 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.195 -0.457 . . . . 52.01 111.162 179.907 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 35.4 t -51.49 -29.92 10.23 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.212 -0.449 . . . . 72.11 111.125 179.915 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . -53.0 -34.2 45.86 Favored Glycine 0 N--CA 1.451 -0.303 0 C-N-CA 120.749 -0.739 . . . . 73.52 112.507 179.985 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 1.2 t -63.32 -26.91 68.98 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.895 0.379 . . . . 75.31 110.875 -179.742 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 28.9 mm -66.31 -45.52 89.47 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.112 -0.495 . . . . 73.23 111.155 179.951 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 28' ' ' ILE . . . . . . . . . . . . . 30.8 mt -60.42 -38.65 78.58 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.164 -0.471 . . . . 75.24 111.132 179.845 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 5.0 t -55.83 -33.58 64.61 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.128 -0.487 . . . . 70.41 110.841 -179.886 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 30' ' ' ILE . . . . . . . . . . . . . 22.0 mt -77.39 -60.99 1.86 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.136 -0.484 . . . . 65.22 111.124 179.969 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 3.2 mt -51.87 -42.12 62.4 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.223 -0.444 . . . . 73.42 110.922 179.865 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . 51.99 57.84 11.96 Favored Glycine 0 N--CA 1.451 -0.303 0 C-N-CA 120.714 -0.755 . . . . 74.43 112.474 179.93 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -159.69 54.9 0.35 Allowed Glycine 0 N--CA 1.451 -0.32 0 C-N-CA 120.689 -0.767 . . . . 65.54 112.47 -179.924 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 34' ' ' VAL . . . . . . . . . . . . . 10.1 t 49.52 52.56 0.39 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-O 120.899 0.38 . . . . 74.34 111.136 -179.978 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -87.53 8.65 24.04 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.186 -0.461 . . . . 72.51 111.141 -179.945 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 36' ' ' VAL . . . . . . . . . . . . . 6.6 m -55.41 -24.98 16.63 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.204 -0.453 . . . . 71.13 111.119 179.923 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . -75.45 -44.64 21.05 Favored Glycine 0 N--CA 1.452 -0.275 0 C-N-CA 120.734 -0.746 . . . . 71.45 112.457 179.995 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 8.6 mp -66.21 -22.08 66.33 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-O 120.783 0.325 . . . . 74.53 110.89 -179.9 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -54.79 -28.76 51.52 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.19 -0.459 . . . . 73.54 110.81 -179.886 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . -78.01 -21.92 69.87 Favored Glycine 0 N--CA 1.451 -0.366 0 C-N-CA 120.765 -0.731 . . . . 73.03 112.495 -179.975 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 41' ' ' VAL . . . . . . . . . . . . . 87.6 t -93.38 -26.04 4.77 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-O 120.822 0.344 . . . . 75.33 111.157 -179.988 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 42' ' ' PHE . . . . . . . . . . . . . 2.9 t80 -58.1 -50.88 71.96 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.174 -0.466 . . . . 75.53 110.851 -179.965 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -57.3 -44.77 84.38 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.141 -0.481 . . . . 72.32 111.172 -179.9 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -58.82 -40.41 84.09 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.163 -0.472 . . . . 52.14 111.093 179.863 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 87.7 t -70.79 -44.05 76.59 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.185 -0.461 . . . . 63.23 111.121 -179.993 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -52.66 -51.58 59.5 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.131 -0.486 . . . . 74.2 110.904 179.906 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -55.67 -37.26 68.05 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.189 -0.46 . . . . 75.4 111.112 179.841 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -57.54 -29.08 64.09 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.181 -0.463 . . . . 73.14 111.092 179.921 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 49' ' ' ILE . . . . . . . . . . . . . 68.6 mt -56.44 -55.0 21.52 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.2 -0.455 . . . . 73.22 111.121 -179.964 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -65.36 -23.65 67.04 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.219 -0.446 . . . . 73.32 111.088 179.814 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER -76.94 -41.01 45.05 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.206 -0.452 . . . . 75.12 110.855 179.992 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 52' ' ' GLN . . . . . . . . . . . . . 22.3 mm100 -123.7 -69.5 0.81 Allowed 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.241 -0.436 . . . . 73.2 110.922 180.0 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . 167.75 156.62 10.19 Favored Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 120.699 -0.762 . . . . 64.41 112.453 -179.969 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 54' ' ' ILE . . . . . . . . . . . . . 17.0 pt -51.7 -35.26 17.25 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-O 120.924 0.392 . . . . 70.42 111.151 179.985 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 21.8 pttm -56.94 -44.93 83.0 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.17 -0.468 . . . . 74.12 110.882 179.847 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 16.7 tppt? -66.41 -33.68 76.25 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.247 -0.433 . . . . 63.24 110.911 179.872 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -55.43 -36.13 66.15 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.221 -0.445 . . . . 70.23 111.141 179.794 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 58' ' ' ILE . . . . . . . . . . . . . 74.5 mt -59.95 -53.29 50.55 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.205 -0.452 . . . . 73.22 111.189 179.975 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 59' ' ' GLN . . . . . . . . . . . . . 31.5 mt-30 -55.23 -32.82 62.59 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.149 -0.478 . . . . 73.4 110.96 179.883 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 C--N 1.328 -0.368 0 CA-C-N 116.211 -0.449 . . . . 74.32 110.936 179.983 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 1' ' ' LEU . . . . . . . . . . . . . 6.9 mp . . . . . 0 C--O 1.231 0.114 0 CA-C-O 120.892 0.377 . . . . 73.11 110.947 . . . . . . . . . 0 0 . 1 . 018 nuclear orig core ' A' A ' 2' ' ' VAL . . . . . . . . . . . . . 58.4 t -61.82 -50.94 78.16 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.21 -0.45 . . . . 74.33 111.086 179.892 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . -64.57 -28.99 70.01 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.215 -0.448 . . . . 52.05 111.081 179.871 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 4' ' ' TYR . . . . . . . . . . . . . 62.9 t80 -74.11 -51.07 16.8 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.227 -0.442 . . . . 74.53 110.933 -179.817 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . 164.8 -27.55 0.2 Allowed Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 120.729 -0.748 . . . . 73.32 112.46 179.951 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 49.8 mm -56.86 126.67 14.76 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-O 120.84 0.352 . . . . 74.15 111.116 -179.916 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -51.47 132.97 30.16 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.14 -0.482 . . . . 71.51 111.088 179.833 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 15.5 pt20 -63.35 -43.08 98.72 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.239 -0.437 . . . . 72.21 110.874 -179.923 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -54.17 -48.76 62.29 Favored Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 120.731 -0.747 . . . . 63.33 112.521 -179.991 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 95.4 m -77.05 -31.19 56.01 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-O 120.828 0.347 . . . . 72.31 111.14 -179.855 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -51.43 -30.92 21.12 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.211 -0.45 . . . . 70.4 111.073 179.872 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 49.2 mt-10 -58.45 -57.07 14.54 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.222 -0.444 . . . . 73.33 110.917 -179.93 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 9.5 ptmm? -68.39 -33.93 75.13 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.122 -0.49 . . . . 75.22 110.875 179.975 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 89.6 t -56.92 -41.1 75.98 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.222 -0.445 . . . . 75.34 111.115 179.888 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 94.6 t -56.65 -40.13 67.5 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.25 0 CA-C-N 116.16 -0.473 . . . . 75.53 111.155 179.924 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 32.9 t -60.14 -37.51 80.31 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.185 -0.461 . . . . 75.12 110.852 -179.817 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 4.2 mp -64.84 -38.01 89.55 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.11 -0.495 . . . . 73.15 110.906 -179.997 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 18' ' ' ILE . . . . . . . . . . . . . 31.8 mt -65.21 -50.11 75.48 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.347 0 CA-C-N 116.194 -0.457 . . . . 74.03 111.112 179.831 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 13.6 t-20 -58.79 -26.3 63.95 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.166 -0.47 . . . . 64.33 110.914 179.957 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -65.01 -20.09 66.33 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.171 -0.468 . . . . 64.42 111.075 179.841 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . 94.77 18.57 34.45 Favored Glycine 0 N--CA 1.45 -0.377 0 C-N-CA 120.749 -0.739 . . . . 74.23 112.524 -179.933 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 25.9 mt -70.84 156.7 39.24 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.893 0.377 . . . . 72.53 110.888 -179.896 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 26.7 p -84.34 147.52 27.14 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.196 -0.456 . . . . 74.45 111.111 179.945 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 6.4 p -51.34 -38.48 20.0 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.326 0 CA-C-N 116.204 -0.453 . . . . 74.21 111.136 179.888 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . -65.8 -33.92 87.24 Favored Glycine 0 N--CA 1.452 -0.298 0 C-N-CA 120.713 -0.756 . . . . 55.31 112.484 179.951 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 44.8 t -64.68 -26.89 68.57 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.819 0.342 . . . . 70.51 110.832 -179.722 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 42.2 mm -60.18 -46.69 94.26 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.169 -0.469 . . . . 62.24 111.147 179.963 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 28' ' ' ILE . . . . . . . . . . . . . 70.7 mt -60.46 -40.61 84.77 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.19 -0.459 . . . . 73.33 111.182 179.844 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 3.0 m -63.5 -32.19 73.57 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.155 -0.475 . . . . 64.21 110.843 -179.943 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 30' ' ' ILE . . . . . . . . . . . . . 13.2 mt -70.29 -60.98 1.88 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.346 0 CA-C-N 116.159 -0.473 . . . . 74.33 111.155 179.964 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 7.0 mt -60.84 -42.22 97.37 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.172 -0.467 . . . . 74.5 110.967 179.831 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . 51.52 34.34 34.77 Favored Glycine 0 N--CA 1.451 -0.345 0 C-N-CA 120.778 -0.725 . . . . 71.2 112.488 179.904 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -127.83 60.63 0.66 Allowed Glycine 0 N--CA 1.452 -0.292 0 C-N-CA 120.728 -0.749 . . . . 75.22 112.484 -179.902 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 34' ' ' VAL . . . . . . . . . . . . . 12.4 t 49.41 55.98 0.35 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-O 120.876 0.37 . . . . 73.24 111.116 -179.953 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -86.92 7.36 27.7 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.179 -0.464 . . . . 71.45 111.183 179.978 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 36' ' ' VAL . . . . . . . . . . . . . 4.7 m -55.1 100.45 0.05 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.205 -0.452 . . . . 74.22 111.121 179.898 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 139.59 -42.75 1.2 Allowed Glycine 0 N--CA 1.451 -0.316 0 C-N-CA 120.774 -0.727 . . . . 73.33 112.506 179.989 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 4.5 mm? -66.24 -17.49 64.77 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-O 120.784 0.326 . . . . 73.34 110.893 -179.923 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 3.0 p -69.96 -38.0 75.98 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.177 -0.465 . . . . 63.53 110.825 -179.915 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . -67.5 -19.1 70.52 Favored Glycine 0 N--CA 1.45 -0.372 0 C-N-CA 120.773 -0.727 . . . . 73.1 112.509 -179.95 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 41' ' ' VAL . . . . . . . . . . . . . 6.3 p -105.06 -24.44 4.03 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-O 120.864 0.364 . . . . 73.12 111.12 -179.975 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 42' ' ' PHE . . . . . . . . . . . . . 3.3 t80 -52.42 -51.09 60.98 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.138 -0.483 . . . . 73.22 110.915 -179.987 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -54.08 -43.12 70.05 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.191 -0.459 . . . . 73.0 111.115 -179.952 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -60.36 -43.04 96.9 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.232 -0.44 . . . . 75.34 111.127 179.89 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 75.7 t -70.9 -40.67 76.74 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.243 -0.435 . . . . 60.12 111.097 179.968 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 34.2 tttp -54.06 -53.02 58.89 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.188 -0.46 . . . . 74.43 110.921 179.912 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -60.88 -30.11 69.96 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.188 -0.46 . . . . 70.51 111.106 179.847 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -58.1 -28.33 64.52 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.213 -0.449 . . . . 74.01 111.117 179.928 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 49' ' ' ILE . . . . . . . . . . . . . 62.8 mt -56.4 -55.88 16.66 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.363 0 CA-C-N 116.264 -0.425 . . . . 72.54 111.105 179.988 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -65.25 -24.27 67.28 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.122 -0.49 . . . . 63.42 111.089 179.793 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 99.5 mttt -76.88 -35.58 57.32 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.227 -0.442 . . . . 73.31 110.919 179.973 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 52' ' ' GLN . . . . . . . . . . . . . 37.5 mt-30 -130.65 -71.39 0.59 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.237 -0.438 . . . . 71.15 110.911 -179.968 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . 170.76 155.92 10.94 Favored Glycine 0 N--CA 1.451 -0.342 0 C-N-CA 120.7 -0.762 . . . . 63.4 112.467 -179.99 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 54' ' ' ILE . . . . . . . . . . . . . 53.4 mt -53.93 -41.95 51.52 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-O 120.911 0.386 . . . . 73.23 111.111 -179.977 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 8.9 ptpt -52.75 -45.41 67.03 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.164 -0.471 . . . . 71.12 110.915 179.845 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 18.8 mttm -66.19 -34.07 77.21 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.168 -0.469 . . . . 75.54 110.904 179.881 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -55.92 -37.43 68.91 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.24 -0.436 . . . . 72.02 111.077 179.841 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 58' ' ' ILE . . . . . . . . . . . . . 67.4 mt -58.43 -50.62 78.09 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.254 -0.43 . . . . 74.54 111.166 179.958 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 59' ' ' GLN . . . . . . . . . . . . . 57.7 mt-30 -56.61 -30.78 63.63 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.207 -0.451 . . . . 75.04 110.912 179.926 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 C--N 1.329 -0.318 0 CA-C-N 116.208 -0.451 . . . . 75.55 110.916 179.997 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 1' ' ' LEU . . . . . . . . . . . . . 6.4 mt . . . . . 0 C--O 1.231 0.081 0 CA-C-O 120.891 0.377 . . . . 73.35 110.932 . . . . . . . . . 0 0 . 1 . 019 nuclear orig core ' A' A ' 2' ' ' VAL . . . . . . . . . . . . . 82.4 t -63.31 -49.3 83.51 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.266 0 CA-C-N 116.187 -0.46 . . . . 75.32 111.135 179.825 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . -64.23 -29.78 70.86 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.165 -0.471 . . . . 62.44 111.113 179.915 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 4' ' ' TYR . . . . . . . . . . . . . 0.5 OUTLIER -73.86 -48.21 32.78 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.197 -0.456 . . . . 74.1 110.929 -179.893 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . 160.02 -27.65 0.34 Allowed Glycine 0 N--CA 1.452 -0.299 0 C-N-CA 120.694 -0.765 . . . . 74.13 112.459 179.974 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 50.4 mm -57.24 132.51 21.64 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-O 120.874 0.369 . . . . 63.54 111.127 -179.955 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -51.61 139.71 20.09 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.181 -0.463 . . . . 65.13 111.09 179.825 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 6.1 pt20 -67.87 -42.63 81.0 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.248 -0.433 . . . . 72.03 110.91 -179.955 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -56.38 -51.06 58.61 Favored Glycine 0 N--CA 1.452 -0.27 0 C-N-CA 120.735 -0.745 . . . . 51.5 112.485 -179.984 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 93.5 m -74.6 -31.68 62.11 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.804 0.335 . . . . 61.41 111.141 -179.841 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -51.76 -47.2 64.22 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.203 -0.453 . . . . 71.31 111.131 179.841 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 34.0 mt-10 -54.37 -49.98 68.57 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.21 -0.45 . . . . 74.53 110.84 -179.88 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 8.6 ttmm -64.9 -43.61 92.27 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.126 -0.488 . . . . 72.03 110.897 179.971 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 91.7 t -56.29 -35.06 41.64 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.226 -0.443 . . . . 73.43 111.117 179.874 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 95.4 t -55.57 -31.04 27.6 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.171 -0.468 . . . . 74.31 111.132 179.944 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 2.0 t -59.47 -42.09 91.25 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.167 -0.469 . . . . 74.25 110.885 -179.877 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 3.8 mm? -71.29 -39.74 71.32 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.112 -0.494 . . . . 72.25 110.91 -179.993 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 18' ' ' ILE . . . . . . . . . . . . . 35.5 mt -65.07 -48.38 84.1 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.201 -0.454 . . . . 73.53 111.121 179.87 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 57.9 t30 -58.68 -27.91 65.26 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.163 -0.472 . . . . 70.22 110.877 179.929 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -64.98 -20.12 66.33 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.21 -0.45 . . . . 74.14 111.062 179.881 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . 96.01 13.49 49.34 Favored Glycine 0 N--CA 1.45 -0.373 0 C-N-CA 120.743 -0.742 . . . . 54.22 112.498 -179.925 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 4.0 mm? -74.9 137.5 41.77 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-O 120.843 0.354 . . . . 71.22 110.938 -179.926 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 53.6 p -76.85 167.92 20.99 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.211 -0.45 . . . . 74.05 111.141 179.966 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 10.7 p -51.35 -30.16 10.07 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.239 -0.437 . . . . 73.53 111.135 179.921 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . -53.82 -52.05 45.14 Favored Glycine 0 N--CA 1.451 -0.337 0 C-N-CA 120.767 -0.73 . . . . 72.3 112.485 179.967 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 2.1 t -65.58 -26.93 68.08 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.898 0.38 . . . . 73.52 110.87 -179.732 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 26.2 mm -67.39 -50.51 61.59 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.135 -0.484 . . . . 74.25 111.147 179.93 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 28' ' ' ILE . . . . . . . . . . . . . 50.4 mm -53.59 -37.6 31.51 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.174 -0.466 . . . . 74.44 111.126 179.87 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 71.1 m -63.41 -36.54 84.07 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.19 -0.459 . . . . 74.12 110.917 -179.947 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 30' ' ' ILE . . . . . . . . . . . . . 43.7 mm -77.61 -36.6 23.26 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.1 -0.5 . . . . 75.01 111.102 179.97 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 3.8 mm? -51.97 -42.29 62.8 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.165 -0.471 . . . . 73.02 110.902 179.898 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . 51.67 58.04 11.05 Favored Glycine 0 N--CA 1.451 -0.333 0 C-N-CA 120.724 -0.75 . . . . 75.42 112.516 179.906 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -179.39 -159.15 22.94 Favored Glycine 0 N--CA 1.451 -0.352 0 C-N-CA 120.747 -0.739 . . . . 50.35 112.499 -179.88 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 34' ' ' VAL . . . . . . . . . . . . . 12.5 t -78.43 56.25 0.09 OUTLIER 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-O 120.901 0.381 . . . . 75.24 111.134 179.953 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 5.0 t -89.0 10.3 22.03 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.187 -0.46 . . . . 74.21 111.133 179.999 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 36' ' ' VAL . . . . . . . . . . . . . 17.3 t -75.91 60.53 0.11 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.243 -0.435 . . . . 74.12 111.12 179.916 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 165.83 -36.74 0.26 Allowed Glycine 0 N--CA 1.452 -0.296 0 C-N-CA 120.733 -0.746 . . . . 63.22 112.526 179.97 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -66.67 -24.83 66.33 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.812 0.339 . . . . 71.22 110.905 -179.914 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -60.21 -20.01 56.83 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.187 -0.46 . . . . 73.0 110.866 -179.944 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . -51.77 -27.81 21.26 Favored Glycine 0 N--CA 1.45 -0.376 0 C-N-CA 120.761 -0.733 . . . . 64.14 112.519 -179.969 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 41' ' ' VAL . . . . . . . . . . . . . 18.9 m -94.16 -24.1 5.08 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-O 120.885 0.374 . . . . 75.03 111.161 -179.982 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 42' ' ' PHE . . . . . . . . . . . . . 2.4 t80 -56.27 -51.85 66.64 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.15 -0.477 . . . . 73.3 110.891 -179.995 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 17.2 m -54.0 -43.33 69.95 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.138 -0.483 . . . . 75.44 111.127 -179.929 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -66.62 -34.49 77.99 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.246 -0.434 . . . . 74.44 111.054 179.904 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 95.7 t -70.77 -52.18 30.42 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.241 -0.436 . . . . 73.3 111.106 -179.988 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 5.7 ptmm? -58.06 -36.08 72.29 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.186 -0.461 . . . . 72.34 110.882 179.953 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -63.45 -40.08 96.17 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.24 -0.436 . . . . 75.35 111.059 179.84 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -60.53 -27.18 67.44 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.202 -0.454 . . . . 71.54 111.087 179.973 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 49' ' ' ILE . . . . . . . . . . . . . 62.4 mt -56.44 -55.98 16.19 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.232 -0.44 . . . . 64.23 111.102 -179.993 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -61.93 -23.6 66.46 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.161 -0.472 . . . . 73.25 111.121 179.827 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 10.6 mtmt -76.98 -60.97 2.14 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.189 -0.46 . . . . 74.54 110.919 179.954 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 52' ' ' GLN . . . . . . . . . . . . . 2.6 mt-30 -104.89 -67.63 0.9 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.209 -0.451 . . . . 74.13 110.934 179.925 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . 169.71 157.35 11.97 Favored Glycine 0 N--CA 1.451 -0.341 0 C-N-CA 120.726 -0.749 . . . . 72.32 112.482 -179.986 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 54' ' ' ILE . . . . . . . . . . . . . 34.7 pt -51.63 -30.08 10.93 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-O 120.973 0.416 . . . . 74.4 111.185 179.986 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 4.4 ptpt -56.33 -42.78 78.24 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.133 -0.485 . . . . 75.15 110.917 179.845 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -66.2 -31.54 72.43 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.191 -0.459 . . . . 73.23 110.927 179.832 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -58.0 -37.15 73.75 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.268 -0.424 . . . . 72.44 111.121 179.796 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 58' ' ' ILE . . . . . . . . . . . . . 62.4 mt -56.73 -60.04 2.39 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.151 -0.477 . . . . 72.53 111.162 179.944 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 59' ' ' GLN . . . . . . . . . . . . . 9.8 pt20 -60.23 -27.58 67.32 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.16 -0.473 . . . . 71.43 110.931 179.954 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER . . . . . 0 C--N 1.328 -0.354 0 CA-C-N 116.189 -0.46 . . . . 75.01 110.886 -179.97 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 1' ' ' LEU . . . . . . . . . . . . . 43.0 mt . . . . . 0 C--O 1.231 0.117 0 CA-C-O 120.871 0.367 . . . . 74.24 110.886 . . . . . . . . . 0 0 . 1 . 020 nuclear orig core ' A' A ' 2' ' ' VAL . . . . . . . . . . . . . 95.3 t -62.98 -49.89 81.76 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.206 -0.452 . . . . 71.34 111.096 179.86 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . -64.19 -31.83 73.18 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.212 -0.449 . . . . 74.03 111.076 179.899 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 4' ' ' TYR . . . . . . . . . . . . . 1.6 m-85 -74.25 -51.1 16.35 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.255 -0.429 . . . . 74.1 110.943 -179.872 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . 161.37 56.1 0.02 OUTLIER Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.708 -0.758 . . . . 65.43 112.505 179.991 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 40.4 mm -135.61 142.05 40.47 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-O 120.811 0.339 . . . . 74.2 111.126 -179.945 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -51.75 150.22 4.16 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.174 -0.467 . . . . 63.33 111.082 179.806 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 32.8 tt0 -68.02 -57.04 6.8 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.223 -0.444 . . . . 72.3 110.94 -179.935 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -68.56 -35.97 82.36 Favored Glycine 0 N--CA 1.451 -0.301 0 C-N-CA 120.726 -0.75 . . . . 72.34 112.495 179.99 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 29.4 m -74.15 -25.6 59.84 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 120.771 0.319 . . . . 71.41 111.148 -179.85 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -50.73 -37.55 42.37 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.176 -0.466 . . . . 74.12 111.133 179.838 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 3.2 tt0 -71.62 -35.24 70.4 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.189 -0.46 . . . . 64.31 110.914 -179.943 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 35.9 mttm -69.27 -54.32 15.29 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.141 -0.481 . . . . 74.42 110.897 179.974 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 4.0 p -52.51 -44.01 43.65 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.24 -0.436 . . . . 72.53 111.127 179.866 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 59.1 t -59.57 -46.02 93.47 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.139 -0.482 . . . . 73.05 111.129 179.923 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 15.0 m -54.49 -32.83 58.69 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.185 -0.462 . . . . 75.03 110.864 -179.805 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 1.3 mt -71.58 -27.69 63.31 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.133 -0.485 . . . . 73.25 110.918 179.997 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 18' ' ' ILE . . . . . . . . . . . . . 16.0 mt -65.23 -49.36 79.43 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.165 -0.471 . . . . 75.31 111.116 179.858 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 22.5 t30 -58.66 -22.02 55.78 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.163 -0.471 . . . . 73.41 110.916 179.922 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -64.86 -20.0 66.18 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.199 -0.455 . . . . 74.43 111.066 179.892 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . 90.37 12.75 60.97 Favored Glycine 0 N--CA 1.451 -0.307 0 C-N-CA 120.722 -0.751 . . . . 62.51 112.508 -179.941 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 6.7 mp -74.94 154.42 38.15 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-O 120.925 0.393 . . . . 74.55 110.923 -179.943 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 1.5 p -77.71 142.33 38.82 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.188 -0.46 . . . . 62.53 111.1 179.973 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 42.7 t -51.41 -30.23 10.37 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.192 -0.458 . . . . 74.2 111.128 179.875 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . -57.04 -39.11 89.12 Favored Glycine 0 N--CA 1.452 -0.291 0 C-N-CA 120.746 -0.74 . . . . 54.54 112.452 179.992 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 2.6 t -64.89 -26.88 68.51 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.89 0.376 . . . . 65.34 110.895 -179.76 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 35.3 mm -60.26 -41.82 88.34 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.095 -0.502 . . . . 73.31 111.101 179.996 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 28' ' ' ILE . . . . . . . . . . . . . 63.8 mt -57.08 -42.72 79.99 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.187 -0.46 . . . . 73.21 111.14 179.861 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 70.5 m -56.26 -30.85 62.97 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.145 -0.479 . . . . 73.3 110.866 -179.954 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 30' ' ' ILE . . . . . . . . . . . . . 46.0 mm -69.91 -60.12 2.8 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.152 -0.476 . . . . 74.34 111.147 179.929 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 3.7 mm? -56.98 -41.68 78.81 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.163 -0.471 . . . . 73.42 110.915 179.905 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . 53.91 38.22 59.57 Favored Glycine 0 N--CA 1.451 -0.341 0 C-N-CA 120.755 -0.736 . . . . 53.11 112.496 179.891 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -148.72 69.26 0.34 Allowed Glycine 0 N--CA 1.451 -0.334 0 C-N-CA 120.747 -0.739 . . . . 75.2 112.498 -179.933 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 34' ' ' VAL . . . . . . . . . . . . . 7.7 t 49.55 50.17 0.41 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-O 120.893 0.378 . . . . 74.05 111.126 -179.975 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -86.94 6.82 30.19 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.156 -0.475 . . . . 73.25 111.115 -179.963 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 36' ' ' VAL . . . . . . . . . . . . . 55.0 t -59.94 -22.04 23.22 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.248 -0.433 . . . . 74.34 111.139 179.944 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . -87.92 -31.67 14.47 Favored Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 120.73 -0.748 . . . . 61.14 112.5 179.97 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 4.4 mm? -66.05 -24.92 66.82 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-O 120.812 0.339 . . . . 74.51 110.914 -179.897 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 1.4 m -52.1 -48.69 64.63 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.172 -0.467 . . . . 74.04 110.851 -179.959 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . -59.2 -19.31 45.57 Favored Glycine 0 N--CA 1.451 -0.333 0 C-N-CA 120.741 -0.742 . . . . 72.1 112.485 -179.996 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 41' ' ' VAL . . . . . . . . . . . . . 89.5 t -94.51 -39.47 10.33 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-O 120.837 0.351 . . . . 73.44 111.15 179.998 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 42' ' ' PHE . . . . . . . . . . . . . 3.2 t80 -51.94 -51.36 57.63 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.144 -0.48 . . . . 74.3 110.903 -179.959 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 4.6 t -54.02 -40.4 66.99 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.104 -0.498 . . . . 73.11 111.163 -179.939 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -64.22 -33.63 76.24 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.25 -0.432 . . . . 63.21 111.06 179.878 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 96.2 t -70.87 -49.15 52.37 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.247 -0.433 . . . . 74.01 111.123 179.976 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 17.9 tptt -56.81 -46.7 81.45 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.179 -0.464 . . . . 71.31 110.899 179.925 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -60.09 -37.26 79.43 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.194 -0.457 . . . . 63.35 111.091 179.824 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -60.25 -25.27 65.55 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.251 -0.431 . . . . 74.43 111.127 179.928 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 49' ' ' ILE . . . . . . . . . . . . . 62.3 mt -56.36 -55.98 15.99 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.184 -0.462 . . . . 74.14 111.09 179.992 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -61.71 -23.59 66.22 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.181 -0.463 . . . . 73.54 111.133 179.83 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 1.8 mptp? -77.0 -55.01 5.83 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.165 -0.471 . . . . 74.33 110.892 179.984 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 52' ' ' GLN . . . . . . . . . . . . . 12.8 mp0 -111.17 -70.33 0.82 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.251 -0.431 . . . . 75.31 110.953 179.912 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . 171.19 155.94 11.17 Favored Glycine 0 N--CA 1.452 -0.287 0 C-N-CA 120.67 -0.776 . . . . 73.2 112.432 -179.998 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 54' ' ' ILE . . . . . . . . . . . . . 22.4 pt -51.68 -32.6 14.24 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-O 120.874 0.368 . . . . 74.54 111.125 -179.981 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 15.7 pttm -53.98 -45.45 71.42 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.167 -0.47 . . . . 71.34 110.938 179.805 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 2.4 tttm -66.17 -31.91 73.03 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.239 -0.437 . . . . 64.22 110.902 179.853 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -55.46 -40.13 71.22 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.231 -0.441 . . . . 74.35 111.12 179.818 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 58' ' ' ILE . . . . . . . . . . . . . 70.5 mt -58.69 -58.85 4.91 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.188 -0.46 . . . . 75.44 111.156 179.994 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 59' ' ' GLN . . . . . . . . . . . . . 64.8 mt-30 -59.97 -28.6 67.8 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.158 -0.473 . . . . 73.25 110.893 179.946 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 1.8 mt . . . . . 0 C--N 1.328 -0.329 0 CA-C-N 116.181 -0.463 . . . . 74.14 110.903 -179.948 . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' A' A ' 1' ' ' LEU . . . . . . . . . . . . . 3.7 mp . . . . . 0 C--O 1.23 0.074 0 CA-C-O 120.835 0.35 . . . . 75.31 110.883 . . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' A' A ' 2' ' ' VAL . . . . . . . . . . . . . 51.0 t -62.04 -50.26 80.8 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.153 -0.476 . . . . 73.44 111.093 179.911 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . -64.28 -29.77 70.84 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.218 -0.447 . . . . 73.54 111.074 179.873 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 4' ' ' TYR . . . . . . . . . . . . . 64.0 t80 -74.21 -48.2 30.51 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.223 -0.444 . . . . 73.24 110.888 -179.827 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . 159.49 -26.58 0.35 Allowed Glycine 0 N--CA 1.451 -0.328 0 C-N-CA 120.724 -0.75 . . . . 72.45 112.519 179.989 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 51.7 mm -58.74 135.09 23.49 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-O 120.821 0.343 . . . . 55.44 111.135 -179.975 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -52.2 143.03 15.29 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.17 -0.468 . . . . 73.14 111.096 179.822 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 8.1 pt20 -67.24 -41.41 85.71 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.197 -0.456 . . . . 72.14 110.91 -179.955 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -63.22 -46.0 94.03 Favored Glycine 0 N--CA 1.451 -0.342 0 C-N-CA 120.762 -0.732 . . . . 70.24 112.497 -179.974 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 6.3 m -75.89 -26.2 56.81 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.807 0.337 . . . . 65.02 111.14 -179.849 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -56.07 -57.47 12.0 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.207 -0.451 . . . . 71.33 111.108 179.875 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 28.9 mt-10 -52.04 -40.25 60.79 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.177 -0.465 . . . . 63.42 110.897 -179.945 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 40.1 mtmt -67.6 -46.83 71.43 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.179 -0.464 . . . . 75.15 110.912 179.959 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 91.9 t -60.97 -40.33 85.13 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.199 -0.455 . . . . 73.31 111.085 179.924 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 95.4 t -55.66 -36.52 42.81 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.191 -0.459 . . . . 72.22 111.141 179.93 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 10.9 t -60.48 -35.8 76.77 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.155 -0.475 . . . . 72.31 110.896 -179.851 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 2.1 mm? -71.36 -28.65 64.2 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.117 -0.492 . . . . 74.2 110.899 -179.995 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 18' ' ' ILE . . . . . . . . . . . . . 34.4 mt -65.02 -35.89 76.54 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.159 -0.473 . . . . 72.52 111.129 179.828 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 45.3 t30 -57.22 -24.27 53.48 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.177 -0.465 . . . . 71.23 110.884 179.952 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -64.94 -20.06 66.27 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.207 -0.451 . . . . 73.15 111.082 179.889 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . 84.92 0.31 89.07 Favored Glycine 0 N--CA 1.451 -0.348 0 C-N-CA 120.738 -0.744 . . . . 71.11 112.547 -179.933 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 7.0 mp -67.65 155.49 39.05 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.876 0.37 . . . . 72.15 110.907 -179.917 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 24.8 p -76.79 165.28 24.93 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.211 -0.449 . . . . 71.35 111.104 179.977 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 10.7 p -51.47 -30.22 10.57 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.167 -0.47 . . . . 72.42 111.105 179.935 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . -52.99 -40.03 57.76 Favored Glycine 0 N--CA 1.451 -0.31 0 C-N-CA 120.76 -0.733 . . . . 61.25 112.464 179.96 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 5.9 p -70.76 -27.09 63.68 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.892 0.377 . . . . 60.42 110.869 -179.696 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 31.0 mm -65.53 -55.01 21.91 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.106 -0.497 . . . . 74.34 111.12 179.963 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 28' ' ' ILE . . . . . . . . . . . . . 56.1 mt -60.47 -33.08 52.98 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.161 -0.472 . . . . 75.2 111.101 179.867 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 1.7 t -55.46 -39.43 70.35 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.173 -0.467 . . . . 62.24 110.867 -179.875 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 30' ' ' ILE . . . . . . . . . . . . . 54.7 mt -77.0 -32.37 19.49 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.118 -0.492 . . . . 75.55 111.156 179.91 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 4.0 mm? -60.6 -40.33 91.44 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.177 -0.465 . . . . 74.11 110.929 179.894 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . 62.37 57.96 14.48 Favored Glycine 0 N--CA 1.452 -0.27 0 C-N-CA 120.733 -0.746 . . . . 71.35 112.457 179.895 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -179.78 178.99 48.84 Favored Glycine 0 N--CA 1.451 -0.349 0 C-N-CA 120.76 -0.734 . . . . 60.12 112.522 -179.95 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 34' ' ' VAL . . . . . . . . . . . . . 16.0 m -77.24 60.41 0.13 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-O 120.871 0.367 . . . . 74.15 111.167 -179.932 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 42.8 p -86.81 6.63 30.69 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.178 -0.465 . . . . 74.15 111.105 -179.89 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 36' ' ' VAL . . . . . . . . . . . . . 4.8 m -56.05 99.94 0.05 OUTLIER 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 116.252 -0.431 . . . . 74.24 111.121 179.913 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 171.05 -52.92 0.19 Allowed Glycine 0 N--CA 1.451 -0.344 0 C-N-CA 120.753 -0.736 . . . . 72.44 112.497 -179.996 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 2.0 pt? -63.32 -17.98 63.13 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 120.812 0.339 . . . . 44.11 110.918 -179.94 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 2.9 m -55.84 -25.38 41.69 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.183 -0.462 . . . . 70.12 110.889 -179.941 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . -70.73 -25.89 74.96 Favored Glycine 0 N--CA 1.451 -0.345 0 C-N-CA 120.789 -0.719 . . . . 64.25 112.454 -179.967 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 41' ' ' VAL . . . . . . . . . . . . . 35.3 m -105.15 -24.11 4.17 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-O 120.837 0.351 . . . . 75.52 111.095 -179.947 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 42' ' ' PHE . . . . . . . . . . . . . 4.9 t80 -60.99 -37.72 83.49 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.214 -0.448 . . . . 74.1 110.875 -179.995 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 2.3 m -61.74 -45.37 94.21 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.186 -0.461 . . . . 72.21 111.155 -179.912 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -66.35 -33.17 75.12 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.217 -0.447 . . . . 73.14 111.138 179.831 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 83.3 t -63.52 -36.9 78.05 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.169 -0.469 . . . . 74.43 111.138 179.964 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 21.3 tttp -52.13 -51.76 55.87 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.176 -0.465 . . . . 72.44 110.862 179.926 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -63.36 -30.48 71.61 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.238 -0.437 . . . . 74.04 111.085 179.852 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -57.43 -40.41 78.32 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.217 -0.447 . . . . 74.21 111.089 179.94 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 49' ' ' ILE . . . . . . . . . . . . . 78.1 mt -56.37 -56.0 15.95 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.166 -0.47 . . . . 73.43 111.122 179.963 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -65.55 -24.39 67.09 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.191 -0.459 . . . . 73.21 111.098 179.832 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 9.7 tppt? -76.95 -33.59 57.68 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.228 -0.442 . . . . 72.1 110.903 179.974 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 52' ' ' GLN . . . . . . . . . . . . . 11.4 mm-40 -137.45 -72.85 0.42 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.181 -0.463 . . . . 73.45 110.919 179.927 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . 176.28 153.85 11.04 Favored Glycine 0 N--CA 1.452 -0.284 0 C-N-CA 120.746 -0.74 . . . . 64.02 112.502 -179.991 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 54' ' ' ILE . . . . . . . . . . . . . 16.7 pt -51.75 -35.2 17.33 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-O 120.912 0.386 . . . . 75.23 111.153 -179.949 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 18.8 ptmt -55.55 -45.0 77.3 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.187 -0.461 . . . . 74.24 110.892 179.829 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 3.6 mmmm -60.57 -36.73 79.21 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.26 -0.427 . . . . 74.44 110.87 179.905 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -56.3 -33.05 65.17 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.223 -0.444 . . . . 75.52 111.1 179.8 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 58' ' ' ILE . . . . . . . . . . . . . 40.7 mm -56.43 -57.32 9.42 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.221 -0.445 . . . . 71.03 111.146 179.998 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 59' ' ' GLN . . . . . . . . . . . . . 50.2 mt-30 -55.42 -29.83 59.32 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.192 -0.458 . . . . 75.11 110.89 179.936 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 1.2 mp . . . . . 0 C--N 1.329 -0.313 0 CA-C-N 116.168 -0.469 . . . . 73.1 110.915 -179.948 . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' A' A ' 1' ' ' LEU . . . . . . . . . . . . . 1.6 tp . . . . . 0 C--O 1.231 0.117 0 CA-C-O 120.81 0.338 . . . . 74.4 110.922 . . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' A' A ' 2' ' ' VAL . . . . . . . . . . . . . 23.4 t -63.29 -48.94 85.06 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.232 -0.44 . . . . 73.15 111.124 179.847 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . -64.21 -30.98 72.01 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.19 -0.459 . . . . 72.44 111.08 179.914 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 4' ' ' TYR . . . . . . . . . . . . . 0.6 OUTLIER -74.18 -50.82 17.61 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.227 -0.442 . . . . 75.42 110.953 -179.903 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . 149.74 52.47 0.02 OUTLIER Glycine 0 N--CA 1.452 -0.288 0 C-N-CA 120.72 -0.752 . . . . 74.3 112.48 -179.982 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 49.6 mm -139.25 142.94 32.33 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.343 0 CA-C-O 120.801 0.334 . . . . 72.23 111.149 -179.941 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -51.6 132.98 30.86 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.168 -0.469 . . . . 71.54 111.057 179.865 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 4.9 tp-100 -67.96 -55.92 10.93 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.212 -0.449 . . . . 72.24 110.948 -179.951 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -52.73 -41.64 57.99 Favored Glycine 0 N--CA 1.451 -0.315 0 C-N-CA 120.695 -0.764 . . . . 73.32 112.53 179.989 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 96.3 m -76.74 -34.58 58.08 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.785 0.326 . . . . 74.13 111.195 -179.928 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -54.68 -38.48 67.03 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.166 -0.47 . . . . 75.33 111.122 179.853 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 10.6 tt0 -55.0 -56.67 17.11 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.21 -0.45 . . . . 70.42 110.919 -179.926 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 21.8 mtpp -61.98 -37.48 84.95 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.157 -0.474 . . . . 75.31 110.867 179.954 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 94.4 t -60.48 -34.96 60.06 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.233 -0.439 . . . . 73.14 111.129 179.888 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 93.2 t -55.51 -31.1 27.37 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.18 -0.463 . . . . 74.22 111.144 179.905 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 23.6 t -58.63 -42.81 89.11 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.149 -0.478 . . . . 74.51 110.902 -179.887 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 4.1 mm? -71.25 -39.23 71.75 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.111 -0.495 . . . . 75.13 110.942 179.967 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 18' ' ' ILE . . . . . . . . . . . . . 39.8 mt -65.02 -49.17 80.94 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.187 -0.46 . . . . 74.23 111.108 179.825 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 19.3 t-20 -57.3 -26.89 61.59 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.23 -0.441 . . . . 73.43 110.909 179.935 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -65.01 -20.04 66.3 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.152 -0.476 . . . . 65.41 111.05 179.936 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . 91.57 17.53 48.8 Favored Glycine 0 N--CA 1.452 -0.296 0 C-N-CA 120.731 -0.747 . . . . 72.43 112.488 -179.982 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 6.6 mp -74.88 145.34 42.81 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.867 0.365 . . . . 74.55 110.912 -179.875 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 12.1 p -76.94 158.21 30.83 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.231 -0.441 . . . . 70.23 111.09 179.981 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 19.0 m -51.49 -30.22 10.65 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.179 -0.464 . . . . 71.43 111.131 179.906 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . -55.51 -52.1 50.21 Favored Glycine 0 N--CA 1.452 -0.293 0 C-N-CA 120.737 -0.744 . . . . 73.13 112.503 179.922 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 49.1 m -63.57 -26.97 68.94 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.857 0.361 . . . . 72.24 110.902 -179.79 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 30.0 mm -64.97 -42.32 94.44 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.145 -0.479 . . . . 74.44 111.158 179.923 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 28' ' ' ILE . . . . . . . . . . . . . 35.6 mm -60.45 -36.95 72.85 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.139 -0.482 . . . . 75.24 111.116 179.859 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 12.3 t -63.46 -30.94 71.99 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.209 -0.45 . . . . 64.2 110.883 -179.908 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 30' ' ' ILE . . . . . . . . . . . . . 44.1 mm -70.02 -60.71 2.17 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.105 -0.498 . . . . 64.13 111.158 179.931 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 4.3 mp -52.01 -41.99 62.67 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.157 -0.474 . . . . 72.05 110.873 179.897 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . 75.83 17.96 79.82 Favored Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.768 -0.73 . . . . 64.11 112.488 179.93 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -137.0 -176.71 14.51 Favored Glycine 0 N--CA 1.451 -0.353 0 C-N-CA 120.761 -0.733 . . . . 75.45 112.527 -179.953 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 34' ' ' VAL . . . . . . . . . . . . . 14.8 t -77.92 58.4 0.11 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-O 120.913 0.387 . . . . 74.42 111.125 -179.949 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 8.7 t -87.62 8.53 24.85 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.181 -0.463 . . . . 73.41 111.166 -179.981 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 36' ' ' VAL . . . . . . . . . . . . . 41.3 t -55.2 -25.2 16.35 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.201 -0.454 . . . . 75.22 111.144 179.92 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . -64.72 -46.09 90.85 Favored Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.736 -0.745 . . . . 74.14 112.482 179.993 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 4.3 mm? -66.28 -26.48 67.36 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.781 0.324 . . . . 75.32 110.906 -179.924 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 3.6 p -52.56 -29.45 25.58 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.205 -0.452 . . . . 71.41 110.86 -179.935 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . -52.19 -33.23 37.74 Favored Glycine 0 N--CA 1.45 -0.376 0 C-N-CA 120.76 -0.734 . . . . 61.41 112.494 -179.972 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 41' ' ' VAL . . . . . . . . . . . . . 27.2 m -104.88 -25.1 3.79 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-O 120.834 0.349 . . . . 74.24 111.139 -179.999 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 42' ' ' PHE . . . . . . . . . . . . . 5.4 t80 -52.14 -40.22 61.07 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.167 -0.47 . . . . 75.44 110.867 -179.971 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 1.9 m -61.29 -47.36 86.34 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.131 -0.486 . . . . 75.15 111.119 -179.888 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -66.4 -33.41 75.65 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.19 -0.459 . . . . 74.01 111.129 179.87 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 90.2 t -63.71 -47.55 90.59 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.222 -0.445 . . . . 62.2 111.111 179.983 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 12.4 tmtt? -53.39 -52.99 57.55 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.173 -0.467 . . . . 71.41 110.903 179.917 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -62.99 -33.85 76.28 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.2 -0.455 . . . . 53.21 111.144 179.776 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -57.19 -33.27 67.32 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.215 -0.448 . . . . 73.23 111.137 179.902 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 49' ' ' ILE . . . . . . . . . . . . . 75.1 mt -56.36 -54.95 21.97 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.156 -0.474 . . . . 75.52 111.138 179.976 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -65.01 -23.68 67.28 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.168 -0.469 . . . . 65.01 111.091 179.821 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 6.7 mmpt? -76.97 -42.69 37.94 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.224 -0.444 . . . . 72.1 110.849 -179.985 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 52' ' ' GLN . . . . . . . . . . . . . 83.4 mm-40 -119.13 -71.01 0.76 Allowed 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.231 -0.44 . . . . 74.12 110.914 179.968 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . 170.69 155.44 10.43 Favored Glycine 0 N--CA 1.45 -0.369 0 C-N-CA 120.807 -0.711 . . . . 62.12 112.552 -179.98 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 54' ' ' ILE . . . . . . . . . . . . . 17.6 pt -51.87 -34.76 17.23 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-O 120.907 0.384 . . . . 75.04 111.136 -179.935 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 25.6 ttmt -54.75 -56.26 21.23 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.176 -0.465 . . . . 75.33 110.908 179.815 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 3.4 mptp? -57.8 -27.34 63.03 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.199 -0.455 . . . . 75.41 110.898 179.88 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -60.28 -42.05 94.61 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.197 -0.456 . . . . 73.15 111.112 179.808 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 58' ' ' ILE . . . . . . . . . . . . . 71.9 mt -57.33 -60.01 2.57 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.203 -0.453 . . . . 74.14 111.128 -179.989 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 59' ' ' GLN . . . . . . . . . . . . . 76.0 mm-40 -56.03 -26.91 50.92 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.164 -0.471 . . . . 74.3 110.894 179.952 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 1.6 mt . . . . . 0 C--N 1.328 -0.355 0 CA-C-N 116.2 -0.455 . . . . 73.1 110.934 -179.98 . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' A' A ' 1' ' ' LEU . . . . . . . . . . . . . 76.4 mt . . . . . 0 C--O 1.23 0.075 0 CA-C-O 120.868 0.366 . . . . 72.32 110.95 . . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' A' A ' 2' ' ' VAL . . . . . . . . . . . . . 77.0 t -63.03 -50.17 80.58 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.179 -0.464 . . . . 74.13 111.088 179.848 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . -64.26 -32.52 74.14 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.193 -0.458 . . . . 72.34 111.085 179.907 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 4' ' ' TYR . . . . . . . . . . . . . 67.3 t80 -74.52 -45.91 42.74 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.234 -0.439 . . . . 74.13 110.911 -179.84 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . 152.35 57.38 0.01 OUTLIER Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.764 -0.731 . . . . 71.44 112.505 179.975 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 49.8 mm -136.49 140.36 43.51 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-O 120.891 0.377 . . . . 74.53 111.125 -179.985 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -51.6 134.48 29.64 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.159 -0.473 . . . . 63.4 111.085 179.804 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 45.0 mt-30 -67.74 -56.76 8.0 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.208 -0.451 . . . . 74.44 110.948 -179.968 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -59.46 -38.86 94.12 Favored Glycine 0 N--CA 1.451 -0.308 0 C-N-CA 120.697 -0.763 . . . . 74.12 112.51 -179.982 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 95.8 m -74.6 -33.32 62.59 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.791 0.329 . . . . 74.44 111.188 -179.91 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -51.76 -43.37 62.92 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.179 -0.464 . . . . 62.21 111.103 179.848 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 47.6 mt-10 -52.01 -52.34 51.33 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.233 -0.44 . . . . 74.33 110.88 -179.916 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 5.5 ttmt -68.31 -42.0 80.04 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.162 -0.472 . . . . 74.51 110.945 179.961 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 89.8 t -55.91 -47.84 79.32 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.26 0 CA-C-N 116.185 -0.461 . . . . 73.32 111.123 179.876 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 93.7 t -55.53 -39.47 54.1 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.146 -0.479 . . . . 73.41 111.177 179.892 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 1.7 t -53.05 -39.15 63.05 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.128 -0.487 . . . . 62.23 110.862 -179.85 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 4.5 mp -71.28 -31.01 66.96 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.153 -0.476 . . . . 74.32 110.955 179.95 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 18' ' ' ILE . . . . . . . . . . . . . 34.5 mt -65.11 -49.43 79.39 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.133 -0.485 . . . . 72.33 111.154 179.811 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 20.5 t-20 -58.26 -25.48 61.81 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.186 -0.461 . . . . 74.4 110.886 179.964 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -64.95 -20.12 66.31 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.165 -0.47 . . . . 73.02 111.102 179.84 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . 90.69 14.44 58.21 Favored Glycine 0 N--CA 1.451 -0.328 0 C-N-CA 120.754 -0.736 . . . . 75.11 112.434 -179.988 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 85.5 mt -74.91 160.43 30.62 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.889 0.376 . . . . 74.31 110.884 -179.941 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 68.6 p -84.24 155.6 22.4 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.178 -0.464 . . . . 73.54 111.139 179.924 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 14.0 p -51.43 -30.43 10.7 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.244 -0.435 . . . . 54.15 111.136 179.919 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . -57.08 -41.69 92.71 Favored Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.763 -0.732 . . . . 74.54 112.491 179.94 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 29.5 t -66.16 -26.95 67.66 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-O 120.85 0.357 . . . . 63.13 110.907 -179.757 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 35.4 mm -61.14 -54.97 27.96 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.088 -0.505 . . . . 63.2 111.166 179.929 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 28' ' ' ILE . . . . . . . . . . . . . 30.5 mt -60.35 -33.4 53.83 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.16 -0.473 . . . . 74.21 111.135 179.851 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 1.8 t -59.92 -47.04 87.42 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.163 -0.471 . . . . 63.32 110.856 -179.917 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 30' ' ' ILE . . . . . . . . . . . . . 51.2 mm -76.74 -28.58 17.45 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 116.104 -0.498 . . . . 74.24 111.135 179.944 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -66.43 -41.96 88.41 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.14 -0.482 . . . . 75.4 110.888 179.924 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . 72.12 57.91 5.45 Favored Glycine 0 N--CA 1.451 -0.345 0 C-N-CA 120.78 -0.724 . . . . 73.53 112.498 179.926 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -178.9 177.29 48.43 Favored Glycine 0 N--CA 1.452 -0.296 0 C-N-CA 120.746 -0.74 . . . . 65.13 112.464 -179.896 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 34' ' ' VAL . . . . . . . . . . . . . 16.1 m -77.35 59.98 0.12 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-O 120.961 0.41 . . . . 73.04 111.146 -179.98 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -87.14 7.52 27.76 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.131 -0.486 . . . . 73.11 111.105 -179.954 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 36' ' ' VAL . . . . . . . . . . . . . 10.0 p -57.38 -23.18 18.8 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.248 -0.433 . . . . 74.54 111.088 179.93 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . -73.72 -48.54 16.83 Favored Glycine 0 N--CA 1.451 -0.302 0 C-N-CA 120.767 -0.73 . . . . 53.24 112.473 179.977 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 4.3 mm? -66.29 -25.68 66.97 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-O 120.799 0.333 . . . . 74.13 110.908 -179.897 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 1.2 t -55.54 -26.4 42.96 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.21 -0.45 . . . . 74.2 110.881 -179.943 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . -56.48 -30.57 58.96 Favored Glycine 0 N--CA 1.452 -0.3 0 C-N-CA 120.752 -0.737 . . . . 73.42 112.471 179.981 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 41' ' ' VAL . . . . . . . . . . . . . 24.9 m -104.91 -24.12 4.16 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-O 120.864 0.364 . . . . 73.22 111.109 -179.911 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 42' ' ' PHE . . . . . . . . . . . . . 10.0 t80 -52.02 -54.39 30.49 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.193 -0.458 . . . . 74.21 110.88 -179.954 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 4.3 t -54.0 -41.13 67.62 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.119 -0.491 . . . . 74.1 111.202 -179.984 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -66.4 -35.06 79.37 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.227 -0.442 . . . . 65.43 111.117 179.826 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 55.4 t -63.69 -38.28 81.86 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.178 -0.465 . . . . 71.32 111.122 -179.971 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 50.8 tttm -51.9 -49.25 63.4 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.152 -0.476 . . . . 64.34 110.937 179.888 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -63.51 -30.62 71.71 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.211 -0.449 . . . . 74.52 111.088 179.851 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -58.59 -29.62 66.57 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.249 -0.432 . . . . 74.51 111.106 179.901 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 49' ' ' ILE . . . . . . . . . . . . . 64.3 mt -56.4 -54.63 25.98 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.342 0 CA-C-N 116.245 -0.434 . . . . 72.32 111.137 179.975 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -65.42 -24.19 67.14 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.194 -0.457 . . . . 63.43 111.15 179.763 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 34.7 mttt -76.93 -39.09 52.01 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.191 -0.459 . . . . 73.23 110.929 179.918 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 52' ' ' GLN . . . . . . . . . . . . . 9.5 mm100 -130.19 -68.59 0.7 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.245 -0.434 . . . . 74.3 110.937 179.938 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . 168.04 156.45 10.19 Favored Glycine 0 N--CA 1.452 -0.288 0 C-N-CA 120.726 -0.75 . . . . 64.21 112.459 179.985 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 54' ' ' ILE . . . . . . . . . . . . . 52.2 mt -53.89 -39.43 40.15 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-O 120.951 0.405 . . . . 74.41 111.157 -179.99 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 7.6 ptpp? -53.91 -45.56 71.18 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.181 -0.463 . . . . 75.15 110.874 179.885 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -65.99 -33.48 75.9 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.209 -0.45 . . . . 64.33 110.889 179.893 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -61.65 -41.77 97.98 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.253 -0.43 . . . . 74.2 111.118 179.814 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 58' ' ' ILE . . . . . . . . . . . . . 55.5 mt -56.74 -56.92 11.57 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.218 -0.446 . . . . 73.31 111.109 179.989 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 59' ' ' GLN . . . . . . . . . . . . . 42.8 mm-40 -57.0 -29.58 63.43 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.168 -0.469 . . . . 75.11 110.88 179.973 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 1.1 tp . . . . . 0 C--N 1.328 -0.329 0 CA-C-N 116.222 -0.445 . . . . 74.22 110.874 -179.949 . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' A' A ' 1' ' ' LEU . . . . . . . . . . . . . 45.2 mt . . . . . 0 C--O 1.231 0.116 0 CA-C-O 120.863 0.364 . . . . 74.13 110.908 . . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' A' A ' 2' ' ' VAL . . . . . . . . . . . . . 34.9 t -63.33 -49.83 81.32 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.175 -0.466 . . . . 73.4 111.16 179.818 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . -64.35 -29.58 70.65 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.15 -0.477 . . . . 73.23 111.06 179.885 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 4' ' ' TYR . . . . . . . . . . . . . 77.6 t80 -73.97 -48.21 32.04 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.26 -0.427 . . . . 74.33 110.923 -179.86 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . 159.69 -27.04 0.35 Allowed Glycine 0 N--CA 1.452 -0.275 0 C-N-CA 120.732 -0.747 . . . . 73.05 112.466 180.0 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 50.7 mm -58.98 130.15 22.02 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.35 0 CA-C-O 120.845 0.355 . . . . 73.43 111.092 -179.945 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -51.75 137.93 24.59 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.158 -0.473 . . . . 60.51 111.088 179.825 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 14.0 pt20 -68.02 -41.93 81.42 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.264 -0.426 . . . . 70.23 110.935 -179.95 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -53.77 -50.76 52.87 Favored Glycine 0 N--CA 1.451 -0.326 0 C-N-CA 120.764 -0.731 . . . . 62.43 112.482 -179.953 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 95.6 m -76.55 -33.22 58.54 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.838 0.352 . . . . 72.31 111.115 -179.839 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -51.68 -48.56 63.41 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.203 -0.453 . . . . 65.52 111.116 179.864 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 6.5 mt-10 -52.08 -48.84 64.48 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.228 -0.442 . . . . 72.4 110.882 -179.9 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 3.3 ttmp? -67.49 -39.88 85.21 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.197 -0.456 . . . . 74.35 110.915 179.947 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 90.2 t -61.12 -35.07 63.1 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.195 -0.457 . . . . 73.32 111.163 179.821 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 93.5 t -55.58 -44.68 77.41 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.16 -0.473 . . . . 74.52 111.179 179.896 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 4.9 m -54.33 -34.41 60.99 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.152 -0.476 . . . . 74.4 110.817 -179.818 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 4.2 mp -71.23 -35.45 71.49 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.15 -0.477 . . . . 75.33 110.906 -179.986 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 18' ' ' ILE . . . . . . . . . . . . . 34.8 mt -64.97 -49.83 77.83 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.353 0 CA-C-N 116.192 -0.458 . . . . 74.32 111.145 179.84 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 27.6 t-20 -58.62 -28.83 66.01 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.18 -0.463 . . . . 74.3 110.886 179.945 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -65.09 -20.05 66.29 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.13 -0.487 . . . . 70.42 111.129 179.854 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . 101.81 18.08 19.12 Favored Glycine 0 N--CA 1.452 -0.262 0 C-N-CA 120.729 -0.748 . . . . 64.22 112.506 -179.938 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 4.5 mm? -74.89 136.37 41.46 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.939 0.4 . . . . 75.1 110.933 -179.889 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 20.7 p -83.67 161.41 21.08 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.163 -0.471 . . . . 73.4 111.166 179.959 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 11.4 p -51.42 -30.9 11.31 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.227 -0.442 . . . . 74.34 111.112 179.899 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . -65.45 -39.63 95.81 Favored Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.764 -0.731 . . . . 73.2 112.457 -179.998 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 1.4 t -70.68 -32.75 70.11 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.796 0.332 . . . . 65.44 110.839 -179.726 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 35.9 mm -60.37 -55.0 27.25 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.154 -0.475 . . . . 74.35 111.153 179.972 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 28' ' ' ILE . . . . . . . . . . . . . 83.2 mt -53.46 -34.2 22.9 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.168 -0.469 . . . . 75.33 111.126 179.847 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 15.6 t -63.53 -30.67 71.75 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.197 -0.456 . . . . 71.23 110.869 -179.946 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 30' ' ' ILE . . . . . . . . . . . . . 43.5 mm -69.73 -61.08 1.83 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.181 -0.463 . . . . 65.41 111.188 179.933 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 6.6 mp -63.05 -42.85 99.81 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.177 -0.465 . . . . 74.52 110.914 179.874 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . 50.01 58.03 9.18 Favored Glycine 0 N--CA 1.451 -0.342 0 C-N-CA 120.769 -0.729 . . . . 60.33 112.5 179.907 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -148.6 -147.57 4.56 Favored Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 120.752 -0.737 . . . . 61.31 112.48 -179.906 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 34' ' ' VAL . . . . . . . . . . . . . 32.3 m -78.21 -1.96 4.46 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-O 120.851 0.358 . . . . 75.42 111.133 179.958 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 71.3 p -78.21 -2.72 39.13 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.223 -0.444 . . . . 73.14 111.14 -179.946 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 36' ' ' VAL . . . . . . . . . . . . . 6.1 p -56.27 -24.33 17.99 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.264 0 CA-C-N 116.217 -0.447 . . . . 73.55 111.146 179.895 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . -91.21 -32.44 8.87 Favored Glycine 0 N--CA 1.452 -0.288 0 C-N-CA 120.688 -0.768 . . . . 71.32 112.501 179.998 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 4.3 mm? -66.19 -20.98 66.29 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-O 120.796 0.331 . . . . 64.42 110.893 -179.954 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -58.56 -22.0 54.39 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.16 -0.473 . . . . 74.31 110.891 -179.892 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . -53.51 -26.29 30.37 Favored Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 120.719 -0.753 . . . . 64.21 112.479 -179.955 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 41' ' ' VAL . . . . . . . . . . . . . 18.7 m -93.36 -20.3 6.42 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-O 120.889 0.376 . . . . 72.31 111.16 179.985 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 42' ' ' PHE . . . . . . . . . . . . . 4.6 t80 -55.15 -38.54 68.4 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.142 -0.481 . . . . 75.11 110.867 -179.982 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 21.3 m -58.46 -47.64 83.33 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.175 -0.466 . . . . 64.21 111.123 -179.882 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -65.7 -30.6 71.31 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.235 -0.439 . . . . 71.33 111.103 179.862 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 53.3 t -65.8 -44.73 92.88 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.202 -0.454 . . . . 73.42 111.141 179.953 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 1.2 tmtp? -53.96 -48.18 70.55 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.143 -0.48 . . . . 74.44 110.892 179.95 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -60.28 -30.75 69.66 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.258 -0.428 . . . . 73.14 111.083 179.804 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -58.88 -36.91 75.41 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.241 -0.436 . . . . 75.34 111.062 179.972 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 49' ' ' ILE . . . . . . . . . . . . . 68.3 mt -56.38 -55.78 17.18 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.243 -0.435 . . . . 72.41 111.133 179.981 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -65.42 -23.7 67.01 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.184 -0.462 . . . . 64.4 111.115 179.846 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 30.2 tttp -76.98 -37.46 55.1 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.206 -0.452 . . . . 74.23 110.877 179.925 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 52' ' ' GLN . . . . . . . . . . . . . 71.0 mm-40 -133.89 -67.79 0.58 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.225 -0.443 . . . . 72.12 110.87 -179.986 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . 169.91 156.07 10.7 Favored Glycine 0 N--CA 1.451 -0.361 0 C-N-CA 120.746 -0.74 . . . . 61.13 112.472 -179.948 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 54' ' ' ILE . . . . . . . . . . . . . 22.0 pt -51.67 -32.58 14.17 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-O 120.902 0.382 . . . . 74.54 111.146 -179.994 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -56.69 -42.14 78.55 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.157 -0.474 . . . . 65.11 110.867 179.894 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 17.0 tppt? -66.47 -35.21 79.72 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.205 -0.452 . . . . 75.32 110.892 179.879 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -60.49 -38.56 84.69 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.218 -0.446 . . . . 73.55 111.113 179.814 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 58' ' ' ILE . . . . . . . . . . . . . 69.4 mt -56.46 -59.91 2.44 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.354 0 CA-C-N 116.268 -0.424 . . . . 72.41 111.146 179.952 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 59' ' ' GLN . . . . . . . . . . . . . 34.7 mm-40 -58.19 -27.2 63.65 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.152 -0.476 . . . . 61.23 110.929 179.913 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 C--N 1.328 -0.337 0 CA-C-N 116.201 -0.454 . . . . 74.04 110.907 -179.987 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 1' ' ' LEU . . . . . . . . . . . . . 39.6 mt . . . . . 0 C--O 1.231 0.11 0 CA-C-O 120.795 0.331 . . . . 75.51 110.912 . . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' A' A ' 2' ' ' VAL . . . . . . . . . . . . . 67.9 t -63.22 -50.04 80.67 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.228 -0.442 . . . . 74.22 111.117 179.859 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . -64.44 -28.99 70.05 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.17 -0.468 . . . . 72.4 111.078 179.892 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 4' ' ' TYR . . . . . . . . . . . . . 85.6 t80 -73.98 -48.31 31.23 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.218 -0.446 . . . . 70.43 110.921 -179.889 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . 160.22 -27.57 0.33 Allowed Glycine 0 N--CA 1.451 -0.307 0 C-N-CA 120.791 -0.719 . . . . 72.41 112.491 179.992 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 50.6 mm -57.8 137.69 19.66 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.342 0 CA-C-O 120.818 0.342 . . . . 74.42 111.131 -179.985 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -51.64 139.52 20.66 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.183 -0.462 . . . . 75.35 111.102 179.817 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 6.6 pt20 -67.88 -42.82 80.67 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.244 -0.435 . . . . 71.55 110.952 -179.977 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -62.33 -46.51 93.74 Favored Glycine 0 N--CA 1.451 -0.354 0 C-N-CA 120.781 -0.723 . . . . 75.1 112.507 179.982 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 88.2 m -77.0 -25.88 53.21 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-O 120.815 0.34 . . . . 53.14 111.14 -179.864 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -51.53 -36.86 46.72 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.207 -0.451 . . . . 75.44 111.054 179.91 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 13.3 mt-10 -72.26 -32.94 67.12 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.236 -0.438 . . . . 63.23 110.838 -179.879 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 29.7 mttm -69.42 -54.26 15.24 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.208 -0.451 . . . . 75.14 110.888 179.953 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 16.9 m -52.08 -34.91 18.17 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.252 -0.431 . . . . 73.31 111.112 179.888 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 53.8 t -55.57 -34.71 35.98 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.183 -0.462 . . . . 71.43 111.19 179.9 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 1.7 t -59.53 -37.61 78.83 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.177 -0.465 . . . . 75.24 110.88 -179.873 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 2.5 mp -71.38 -29.14 64.6 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.069 -0.514 . . . . 73.21 110.885 -179.965 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 18' ' ' ILE . . . . . . . . . . . . . 24.2 mt -65.27 -49.62 77.89 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.223 -0.444 . . . . 74.21 111.108 179.849 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 4.9 t-20 -55.81 -29.81 60.35 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.189 -0.46 . . . . 65.05 110.865 179.981 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -64.94 -20.15 66.32 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.221 -0.445 . . . . 70.33 111.131 179.837 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . 95.94 17.71 34.31 Favored Glycine 0 N--CA 1.451 -0.362 0 C-N-CA 120.757 -0.735 . . . . 72.32 112.492 -179.952 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 4.5 mm? -74.85 135.37 41.58 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-O 120.862 0.363 . . . . 72.43 110.905 -179.915 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 36.1 p -76.78 157.0 31.92 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.198 -0.455 . . . . 74.1 111.129 179.942 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 19.5 m -51.3 -30.44 10.27 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.186 -0.461 . . . . 73.1 111.167 179.904 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . -57.61 -46.54 91.99 Favored Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.711 -0.757 . . . . 74.21 112.489 179.987 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 2.8 m -70.8 -26.96 63.56 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.816 0.341 . . . . 71.1 110.84 -179.739 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 41.5 mm -60.27 -41.38 86.82 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 116.163 -0.471 . . . . 75.35 111.146 179.906 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 28' ' ' ILE . . . . . . . . . . . . . 41.0 mt -60.72 -43.9 96.11 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.178 -0.464 . . . . 71.25 111.167 179.841 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 2.8 t -63.92 -45.36 89.61 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.189 -0.459 . . . . 71.52 110.829 -179.915 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 30' ' ' ILE . . . . . . . . . . . . . 45.4 mm -70.02 -27.17 31.68 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.156 -0.475 . . . . 75.22 111.121 179.969 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -57.96 -22.84 51.12 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.156 -0.474 . . . . 73.55 110.935 179.907 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . 88.19 29.88 18.57 Favored Glycine 0 N--CA 1.452 -0.292 0 C-N-CA 120.712 -0.756 . . . . 74.44 112.526 179.93 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . 157.65 141.88 3.27 Favored Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 120.783 -0.722 . . . . 71.24 112.494 -179.907 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 34' ' ' VAL . . . . . . . . . . . . . 8.2 m -69.72 101.88 0.76 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-O 120.89 0.376 . . . . 64.43 111.177 180.0 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 8.7 t -81.81 -36.68 28.11 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.188 -0.46 . . . . 65.1 111.148 -179.949 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 36' ' ' VAL . . . . . . . . . . . . . 22.1 t 50.44 65.63 0.17 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.224 -0.444 . . . . 71.45 111.164 179.908 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 174.03 -65.98 0.11 Allowed Glycine 0 N--CA 1.452 -0.299 0 C-N-CA 120.735 -0.745 . . . . 74.04 112.485 -179.995 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 1.5 pp -59.78 -20.26 55.6 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-O 120.833 0.349 . . . . 72.44 110.912 -179.894 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -69.98 -43.83 70.67 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.163 -0.471 . . . . 72.34 110.84 -179.886 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . -60.49 -29.08 68.57 Favored Glycine 0 N--CA 1.451 -0.308 0 C-N-CA 120.745 -0.74 . . . . 75.53 112.447 -179.974 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 41' ' ' VAL . . . . . . . . . . . . . 7.2 p -93.12 -21.51 6.08 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.258 0 CA-C-O 120.831 0.348 . . . . 74.35 111.134 -179.962 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 42' ' ' PHE . . . . . . . . . . . . . 17.7 t80 -51.84 -45.85 64.15 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.224 -0.444 . . . . 74.01 110.9 179.949 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 0.5 OUTLIER -54.65 -46.59 73.98 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.114 -0.494 . . . . 63.21 111.153 -179.923 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -58.85 -33.76 70.81 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.236 -0.438 . . . . 75.23 111.14 179.832 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 93.7 t -70.79 -46.96 66.16 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.234 -0.439 . . . . 73.44 111.1 179.972 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 8.6 tmtt? -57.79 -48.48 79.56 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.169 -0.469 . . . . 74.25 110.864 179.954 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -59.13 -35.19 73.05 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.28 -0.418 . . . . 75.35 111.118 179.833 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -57.4 -28.23 63.05 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.189 -0.459 . . . . 75.11 111.078 179.961 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 49' ' ' ILE . . . . . . . . . . . . . 72.8 mt -56.5 -56.02 16.06 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.233 -0.439 . . . . 71.24 111.122 -179.999 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -65.82 -23.57 66.72 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.182 -0.463 . . . . 73.04 111.115 179.833 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 1.5 tppp? -76.94 -36.6 56.45 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.189 -0.459 . . . . 72.34 110.86 179.986 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 52' ' ' GLN . . . . . . . . . . . . . 2.9 mp0 -135.92 -69.85 0.48 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.251 -0.431 . . . . 72.22 110.914 179.974 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . 175.12 155.45 12.57 Favored Glycine 0 N--CA 1.451 -0.344 0 C-N-CA 120.731 -0.747 . . . . 62.14 112.489 -179.98 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 54' ' ' ILE . . . . . . . . . . . . . 23.4 pt -51.42 -31.27 11.79 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-O 120.969 0.414 . . . . 73.13 111.158 179.992 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -56.6 -36.86 69.89 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.149 -0.478 . . . . 74.13 110.887 179.878 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 47.6 mmtt -66.24 -40.65 90.37 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.218 -0.446 . . . . 75.44 110.916 179.878 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -55.76 -34.96 65.69 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.202 -0.453 . . . . 73.52 111.09 179.857 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 58' ' ' ILE . . . . . . . . . . . . . 71.4 mt -60.63 -57.58 11.36 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.247 -0.433 . . . . 74.23 111.12 179.924 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 59' ' ' GLN . . . . . . . . . . . . . 75.0 mm-40 -57.07 -31.71 65.5 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.171 -0.468 . . . . 73.4 110.905 179.962 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 1.1 mp . . . . . 0 C--N 1.329 -0.312 0 CA-C-N 116.263 -0.426 . . . . 75.31 110.849 -179.962 . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' A' A ' 1' ' ' LEU . . . . . . . . . . . . . 58.9 mt . . . . . 0 C--O 1.231 0.104 0 CA-C-O 120.838 0.351 . . . . 72.2 110.915 . . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' A' A ' 2' ' ' VAL . . . . . . . . . . . . . 92.5 t -62.96 -48.91 85.76 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.163 -0.471 . . . . 72.45 111.128 179.827 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . -63.84 -32.63 74.21 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.227 -0.442 . . . . 71.13 111.074 179.869 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 4' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER -74.43 -50.93 16.45 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.225 -0.443 . . . . 75.05 110.929 -179.817 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . 160.11 55.5 0.01 OUTLIER Glycine 0 N--CA 1.452 -0.286 0 C-N-CA 120.677 -0.773 . . . . 71.04 112.427 179.998 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 41.5 mm -134.35 144.39 35.32 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-O 120.826 0.346 . . . . 72.21 111.108 -179.999 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -51.48 144.61 9.99 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.155 -0.475 . . . . 73.4 111.072 179.804 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 6.3 tp-100 -67.35 -57.04 7.34 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.152 -0.477 . . . . 74.11 110.925 -179.92 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -67.63 -33.99 82.44 Favored Glycine 0 N--CA 1.452 -0.284 0 C-N-CA 120.743 -0.741 . . . . 73.04 112.477 -179.997 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 7.4 m -77.1 -25.65 52.47 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.734 0.302 . . . . 75.54 111.085 -179.853 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -50.96 -38.73 52.53 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.264 -0.425 . . . . 63.34 111.097 179.858 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 9.1 tt0 -71.82 -33.55 68.6 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.217 -0.447 . . . . 74.43 110.886 -179.912 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 51.9 mttp -69.32 -54.47 14.42 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.172 -0.467 . . . . 72.22 110.874 179.976 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 15.3 m -52.65 -41.31 37.3 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.247 -0.433 . . . . 74.34 111.098 179.904 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 63.6 t -59.48 -43.93 91.73 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.158 -0.474 . . . . 75.11 111.144 179.919 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 4.0 t -53.68 -34.57 59.14 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.169 -0.469 . . . . 63.51 110.88 -179.905 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 1.5 mt -71.54 -28.47 63.89 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.108 -0.497 . . . . 74.03 110.939 -179.989 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 18' ' ' ILE . . . . . . . . . . . . . 17.7 mt -65.52 -34.36 69.92 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.194 -0.457 . . . . 74.33 111.102 179.868 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 17.9 t-20 -57.4 -23.94 52.39 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.227 -0.442 . . . . 74.11 110.862 179.943 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -64.83 -20.03 66.18 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.202 -0.454 . . . . 73.33 111.093 179.872 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . 81.63 7.85 87.63 Favored Glycine 0 N--CA 1.452 -0.277 0 C-N-CA 120.726 -0.75 . . . . 72.44 112.465 -179.963 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 1.6 pt? -69.96 169.31 13.54 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.909 0.385 . . . . 74.12 110.913 -179.88 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 12.2 p -84.04 149.15 26.44 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.192 -0.458 . . . . 72.41 111.142 179.952 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 6.7 p -51.4 -33.03 13.86 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.227 -0.442 . . . . 75.34 111.129 179.903 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . -53.34 -35.1 49.6 Favored Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.722 -0.752 . . . . 75.53 112.494 -179.998 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 22.1 t -70.7 -27.03 63.69 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.834 0.35 . . . . 75.21 110.837 -179.787 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 38.1 mm -60.28 -49.28 84.8 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.152 -0.476 . . . . 71.55 111.124 179.942 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 28' ' ' ILE . . . . . . . . . . . . . 59.9 mt -60.5 -40.63 84.94 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.194 -0.457 . . . . 72.24 111.176 179.876 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 2.4 t -55.49 -39.19 70.13 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.14 -0.482 . . . . 63.34 110.834 -179.906 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 30' ' ' ILE . . . . . . . . . . . . . 50.7 mm -74.45 -24.5 18.77 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-N 116.114 -0.494 . . . . 65.21 111.143 179.94 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 6.4 mt -78.48 -27.06 46.2 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.152 -0.477 . . . . 73.42 110.921 179.898 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . 128.04 -38.04 2.17 Favored Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.759 -0.734 . . . . 43.4 112.503 179.948 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . 124.31 -23.63 6.4 Favored Glycine 0 N--CA 1.451 -0.353 0 C-N-CA 120.8 -0.714 . . . . 72.35 112.51 -179.918 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 34' ' ' VAL . . . . . . . . . . . . . 25.1 m -77.57 -13.03 14.09 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-O 120.899 0.381 . . . . 75.5 111.141 -179.976 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 80.6 p -87.27 8.17 25.37 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.133 -0.485 . . . . 74.25 111.12 -179.997 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 36' ' ' VAL . . . . . . . . . . . . . 4.4 m -53.16 101.47 0.04 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.237 -0.438 . . . . 64.42 111.14 179.915 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 165.95 -45.99 0.27 Allowed Glycine 0 N--CA 1.451 -0.323 0 C-N-CA 120.767 -0.73 . . . . 72.33 112.494 -179.994 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 2.0 pt? -66.2 -18.18 65.19 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-O 120.83 0.348 . . . . 73.43 110.921 -179.918 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 1.9 t -57.17 -23.83 50.18 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.191 -0.459 . . . . 71.44 110.863 -179.954 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . -74.24 -24.12 74.15 Favored Glycine 0 N--CA 1.451 -0.333 0 C-N-CA 120.701 -0.762 . . . . 71.33 112.496 -179.975 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 41' ' ' VAL . . . . . . . . . . . . . 35.0 m -105.18 -24.39 4.06 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-O 120.854 0.359 . . . . 75.41 111.164 179.978 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 42' ' ' PHE . . . . . . . . . . . . . 11.9 t80 -54.13 -54.48 39.02 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.174 -0.466 . . . . 72.53 110.903 -179.975 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 1.1 m -54.01 -43.11 69.78 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.102 -0.499 . . . . 71.53 111.154 -179.923 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -59.86 -40.54 88.96 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.229 -0.441 . . . . 61.51 111.089 179.875 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 89.2 t -70.54 -33.69 54.4 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.24 -0.436 . . . . 72.32 111.115 -180.0 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 19.0 ttpt -55.89 -52.97 62.21 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.203 -0.453 . . . . 75.44 110.875 179.927 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -57.38 -32.75 67.1 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.205 -0.452 . . . . 74.22 111.097 179.849 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -58.01 -31.12 66.65 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.197 -0.456 . . . . 74.31 111.102 179.945 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 49' ' ' ILE . . . . . . . . . . . . . 79.9 mt -56.38 -55.82 16.93 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.361 0 CA-C-N 116.222 -0.445 . . . . 74.45 111.142 179.993 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -62.31 -24.38 67.27 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.149 -0.478 . . . . 73.23 111.128 179.764 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 1.3 mmmm -77.11 -45.98 25.08 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.208 -0.451 . . . . 73.41 110.891 -179.998 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 52' ' ' GLN . . . . . . . . . . . . . 29.0 mm-40 -122.12 -72.83 0.67 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.198 -0.456 . . . . 65.21 110.896 179.966 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . 173.73 154.82 11.04 Favored Glycine 0 N--CA 1.451 -0.364 0 C-N-CA 120.802 -0.713 . . . . 63.12 112.55 -179.964 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 54' ' ' ILE . . . . . . . . . . . . . 17.5 pt -51.77 -34.78 16.93 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-O 120.911 0.386 . . . . 71.45 111.153 -179.938 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 13.0 ptpt -56.75 -45.17 82.18 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.124 -0.489 . . . . 74.21 110.914 179.795 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 3.0 mmmp? -66.18 -36.96 84.46 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.199 -0.455 . . . . 72.3 110.874 179.91 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -56.83 -32.98 66.29 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.238 -0.437 . . . . 72.52 111.056 179.858 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 58' ' ' ILE . . . . . . . . . . . . . 77.8 mt -56.44 -59.46 2.89 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.212 -0.449 . . . . 71.44 111.086 -179.995 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 59' ' ' GLN . . . . . . . . . . . . . 33.1 mm-40 -54.8 -31.01 58.5 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.204 -0.453 . . . . 71.33 110.881 180.0 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 1.2 mp . . . . . 0 C--N 1.328 -0.344 0 CA-C-N 116.196 -0.456 . . . . 74.34 110.899 -179.941 . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' A' A ' 1' ' ' LEU . . . . . . . . . . . . . 1.7 mp . . . . . 0 C--O 1.231 0.109 0 CA-C-O 120.886 0.374 . . . . 75.35 110.926 . . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' A' A ' 2' ' ' VAL . . . . . . . . . . . . . 25.5 t -62.95 -49.96 81.51 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.179 -0.464 . . . . 75.24 111.114 179.837 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . -64.18 -29.75 70.84 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.202 -0.454 . . . . 74.55 111.135 179.874 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 4' ' ' TYR . . . . . . . . . . . . . 1.7 m-85 -74.08 -48.5 29.38 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.178 -0.464 . . . . 74.42 110.933 -179.882 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . 160.68 -27.67 0.31 Allowed Glycine 0 N--CA 1.451 -0.335 0 C-N-CA 120.815 -0.707 . . . . 75.13 112.552 -179.988 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 50.0 mm -57.81 128.19 18.01 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-O 120.848 0.356 . . . . 74.11 111.144 179.993 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -51.41 132.0 29.21 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.151 -0.477 . . . . 65.42 111.144 179.817 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 3.4 pm0 -62.38 -32.03 72.78 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.224 -0.443 . . . . 54.43 110.859 -179.893 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -63.45 -51.14 56.78 Favored Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.752 -0.737 . . . . 63.02 112.479 -179.972 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 93.1 m -77.11 -32.22 56.4 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-O 120.771 0.32 . . . . 72.14 111.123 -179.829 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -52.04 -44.69 64.35 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.23 -0.441 . . . . 74.33 111.068 179.851 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 60.6 mt-10 -52.19 -51.43 58.16 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.238 -0.437 . . . . 75.11 110.88 -179.92 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 46.5 mttp -67.53 -38.48 84.29 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.195 -0.457 . . . . 70.14 110.93 179.947 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 99.3 t -60.21 -34.98 59.13 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.191 -0.459 . . . . 73.13 111.117 179.887 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 97.9 t -55.45 -44.51 76.25 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.164 -0.471 . . . . 75.21 111.15 179.947 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 27.9 t -53.22 -35.34 59.8 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.132 -0.486 . . . . 71.5 110.843 -179.819 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 5.0 mp -71.37 -36.43 71.45 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.107 -0.497 . . . . 74.15 110.868 -179.974 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 18' ' ' ILE . . . . . . . . . . . . . 33.6 mt -64.98 -49.76 78.15 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.179 -0.464 . . . . 74.03 111.164 179.817 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 34.1 t30 -58.28 -28.52 65.06 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.147 -0.479 . . . . 75.42 110.855 179.997 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -65.37 -20.12 66.25 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.211 -0.45 . . . . 72.34 111.087 179.868 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . 96.75 19.63 26.51 Favored Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 120.708 -0.758 . . . . 74.32 112.519 -179.911 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 4.4 mm? -74.82 136.29 41.6 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.897 0.379 . . . . 75.44 110.898 -179.935 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 3.1 p -77.26 156.73 31.22 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.23 -0.441 . . . . 73.3 111.141 179.905 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 19.6 m -51.49 -30.47 10.96 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.215 -0.448 . . . . 62.24 111.104 179.948 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . -58.97 -46.25 93.95 Favored Glycine 0 N--CA 1.451 -0.303 0 C-N-CA 120.73 -0.748 . . . . 74.43 112.477 179.981 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 2.7 m -66.81 -31.36 71.94 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.868 0.366 . . . . 74.21 110.875 -179.729 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 36.9 mm -60.4 -55.06 26.85 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.116 -0.493 . . . . 74.22 111.103 179.958 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 28' ' ' ILE . . . . . . . . . . . . . 46.3 mm -60.47 -38.42 77.93 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.204 -0.453 . . . . 74.33 111.111 179.892 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 22.7 t -55.56 -31.31 62.05 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.166 -0.47 . . . . 71.41 110.829 -179.882 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 30' ' ' ILE . . . . . . . . . . . . . 44.4 mt -77.15 -49.02 23.72 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.346 0 CA-C-N 116.155 -0.475 . . . . 74.31 111.122 179.966 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 4.1 mm? -51.95 -39.03 58.6 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.187 -0.461 . . . . 73.42 110.96 179.86 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . 53.49 57.97 13.75 Favored Glycine 0 N--CA 1.451 -0.3 0 C-N-CA 120.768 -0.729 . . . . 72.45 112.48 179.888 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -168.45 -165.87 26.57 Favored Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.76 -0.733 . . . . 74.11 112.512 -179.9 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 34' ' ' VAL . . . . . . . . . . . . . 15.5 t -77.55 59.35 0.12 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-O 120.95 0.405 . . . . 74.5 111.145 -179.961 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -87.01 7.18 28.76 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.132 -0.486 . . . . 71.13 111.113 -179.945 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 36' ' ' VAL . . . . . . . . . . . . . 2.6 p -54.95 100.75 0.05 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.256 -0.429 . . . . 71.52 111.152 179.893 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 137.84 -31.54 2.46 Favored Glycine 0 N--CA 1.451 -0.361 0 C-N-CA 120.767 -0.73 . . . . 72.33 112.529 179.99 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 2.9 tp -66.65 -39.9 88.43 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.799 0.333 . . . . 74.55 110.938 -179.972 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 93.4 p -58.93 -25.55 63.58 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.165 -0.471 . . . . 63.32 110.887 -179.969 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . -61.4 -39.0 96.67 Favored Glycine 0 N--CA 1.451 -0.336 0 C-N-CA 120.734 -0.746 . . . . 72.24 112.466 -179.962 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 41' ' ' VAL . . . . . . . . . . . . . 32.2 m -93.54 -24.86 5.0 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-O 120.868 0.366 . . . . 74.33 111.147 -179.965 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 42' ' ' PHE . . . . . . . . . . . . . 3.6 t80 -56.37 -51.32 68.73 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.172 -0.467 . . . . 74.54 110.888 -179.985 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 4.3 t -54.09 -41.1 67.87 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.163 -0.471 . . . . 74.53 111.159 -179.914 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -66.39 -33.59 76.05 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.171 -0.468 . . . . 65.31 111.126 179.81 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 62.6 t -63.56 -45.89 96.45 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.217 -0.447 . . . . 73.54 111.124 -179.987 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 30.3 tttm -51.91 -41.42 61.96 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.186 -0.461 . . . . 74.31 110.898 179.924 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -63.45 -35.36 80.17 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.209 -0.45 . . . . 73.3 111.107 179.807 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -61.1 -36.4 79.6 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.228 -0.442 . . . . 73.5 111.105 179.933 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 49' ' ' ILE . . . . . . . . . . . . . 75.7 mt -56.48 -56.05 15.88 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.241 -0.436 . . . . 73.11 111.14 179.967 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -65.57 -24.1 67.01 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.189 -0.46 . . . . 75.11 111.111 179.82 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 38.3 tttt -76.94 -34.92 57.61 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.189 -0.459 . . . . 73.32 110.911 179.976 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 52' ' ' GLN . . . . . . . . . . . . . 22.6 mm100 -136.81 -73.43 0.43 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.19 -0.459 . . . . 75.32 110.949 179.951 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . 178.47 154.18 12.35 Favored Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.764 -0.732 . . . . 64.15 112.483 -179.982 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 54' ' ' ILE . . . . . . . . . . . . . 35.3 pt -51.42 -30.28 10.47 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-O 120.934 0.397 . . . . 71.41 111.134 179.989 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -52.06 -47.24 65.22 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.197 -0.456 . . . . 75.13 110.872 179.899 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 3.8 mttp -66.1 -28.53 68.89 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.223 -0.444 . . . . 74.3 110.945 179.837 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -62.96 -34.44 77.51 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.15 -0.477 . . . . 72.43 111.126 179.842 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 58' ' ' ILE . . . . . . . . . . . . . 63.4 mt -61.91 -59.86 3.63 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.231 -0.44 . . . . 74.33 111.148 179.933 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 59' ' ' GLN . . . . . . . . . . . . . 3.8 pt20 -55.26 -26.98 43.3 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.131 -0.486 . . . . 75.53 110.943 179.942 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER . . . . . 0 C--N 1.329 -0.32 0 CA-C-N 116.184 -0.462 . . . . 74.53 110.94 179.999 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 1' ' ' LEU . . . . . . . . . . . . . 58.7 mt . . . . . 0 C--O 1.232 0.138 0 CA-C-O 120.906 0.384 . . . . 74.5 110.931 . . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' A' A ' 2' ' ' VAL . . . . . . . . . . . . . 97.6 t -63.19 -49.22 84.06 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.21 -0.45 . . . . 74.42 111.111 179.89 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . -64.06 -28.62 69.91 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.197 -0.456 . . . . 72.42 111.103 179.857 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 4' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER -73.92 -51.06 17.31 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.238 -0.437 . . . . 74.43 110.906 -179.871 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . 164.87 -25.22 0.18 Allowed Glycine 0 N--CA 1.451 -0.309 0 C-N-CA 120.737 -0.744 . . . . 74.12 112.481 179.962 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 50.3 mm -56.71 139.4 16.24 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-O 120.761 0.315 . . . . 75.22 111.182 179.999 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -51.46 142.93 12.83 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.222 -0.445 . . . . 61.1 111.058 179.831 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 5.1 pt20 -68.09 -43.19 79.09 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.198 -0.455 . . . . 73.04 110.891 -179.948 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -69.11 -42.26 77.35 Favored Glycine 0 N--CA 1.451 -0.337 0 C-N-CA 120.715 -0.755 . . . . 62.0 112.484 -179.956 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 25.7 m -76.36 -25.64 54.88 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.798 0.332 . . . . 74.24 111.163 -179.874 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -51.05 -38.74 53.36 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.213 -0.449 . . . . 74.33 111.08 179.846 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 3.8 tt0 -71.85 -33.39 68.39 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.21 -0.45 . . . . 72.2 110.881 -179.934 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 25.3 tttp -69.43 -54.46 14.27 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.167 -0.47 . . . . 73.42 110.874 179.992 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 15.3 m -52.54 -41.23 36.04 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.225 -0.443 . . . . 72.25 111.122 179.878 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 59.7 t -58.61 -45.11 90.71 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.128 -0.487 . . . . 74.31 111.131 179.946 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 4.2 t -54.01 -33.95 58.56 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.138 -0.483 . . . . 73.22 110.889 -179.87 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -71.52 -28.01 63.59 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.085 -0.507 . . . . 62.31 110.978 179.993 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 18' ' ' ILE . . . . . . . . . . . . . 17.4 mt -65.41 -32.49 58.44 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.138 -0.483 . . . . 74.52 111.144 179.807 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 19.3 t30 -59.01 -21.24 58.72 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.155 -0.475 . . . . 74.32 110.913 179.944 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -64.75 -20.0 66.1 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.185 -0.461 . . . . 74.22 111.098 179.843 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . 90.01 -7.28 81.94 Favored Glycine 0 N--CA 1.452 -0.295 0 C-N-CA 120.736 -0.745 . . . . 74.13 112.481 -179.954 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 4.2 pp -67.45 146.5 53.93 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 120.891 0.377 . . . . 75.11 110.913 -179.943 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 2.3 p -76.61 170.79 15.77 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.168 -0.469 . . . . 74.15 111.163 179.919 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 26.3 m -51.82 -28.91 10.16 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-N 116.232 -0.44 . . . . 74.44 111.152 179.883 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . -52.81 -39.69 55.9 Favored Glycine 0 N--CA 1.451 -0.349 0 C-N-CA 120.729 -0.748 . . . . 63.04 112.488 -179.981 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -70.55 -32.92 70.54 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.83 0.348 . . . . 75.21 110.857 -179.78 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 33.1 mm -60.6 -46.1 96.2 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.137 -0.483 . . . . 74.54 111.114 179.95 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 28' ' ' ILE . . . . . . . . . . . . . 36.5 mm -60.5 -35.39 62.83 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.198 -0.455 . . . . 74.4 111.063 179.92 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 14.7 m -63.42 -31.1 72.16 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.201 -0.454 . . . . 73.24 110.844 -179.843 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 30' ' ' ILE . . . . . . . . . . . . . 50.0 mm -72.7 -60.49 2.37 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.139 -0.482 . . . . 72.25 111.107 179.971 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 4.4 mm? -58.29 -42.07 85.8 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.173 -0.467 . . . . 73.11 110.909 179.906 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . 119.33 -18.02 10.31 Favored Glycine 0 N--CA 1.451 -0.31 0 C-N-CA 120.716 -0.754 . . . . 72.15 112.488 179.911 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . 136.26 -5.74 3.91 Favored Glycine 0 N--CA 1.451 -0.332 0 C-N-CA 120.705 -0.76 . . . . 51.15 112.48 -179.87 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 34' ' ' VAL . . . . . . . . . . . . . 41.2 t -69.96 -34.87 61.81 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-O 120.92 0.39 . . . . 75.21 111.157 179.997 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 8.9 t -87.81 10.08 19.68 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.192 -0.458 . . . . 72.45 111.18 179.999 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 36' ' ' VAL . . . . . . . . . . . . . 12.1 p -53.35 -26.72 13.06 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.226 -0.443 . . . . 71.52 111.1 179.96 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . -89.12 -40.78 6.04 Favored Glycine 0 N--CA 1.451 -0.352 0 C-N-CA 120.768 -0.729 . . . . 54.0 112.482 179.998 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 4.3 mm? -66.28 -29.14 69.3 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-O 120.833 0.349 . . . . 74.2 110.918 -179.923 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 4.4 p -54.7 -26.99 37.25 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.166 -0.47 . . . . 74.33 110.822 -179.876 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . -52.05 -31.82 33.78 Favored Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.8 -0.714 . . . . 73.45 112.453 -179.967 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 41' ' ' VAL . . . . . . . . . . . . . 26.9 m -105.1 -22.79 4.7 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-O 120.873 0.368 . . . . 74.55 111.13 -179.958 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 42' ' ' PHE . . . . . . . . . . . . . 12.2 t80 -51.64 -43.13 62.51 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.143 -0.481 . . . . 63.51 110.844 -179.941 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -58.98 -47.58 84.65 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.17 -0.468 . . . . 72.03 111.146 -179.897 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -66.52 -29.46 69.56 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.242 -0.435 . . . . 62.41 111.086 179.846 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 97.7 t -63.59 -38.59 82.66 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.25 -0.432 . . . . 73.12 111.143 179.988 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 41.9 tttm -51.91 -46.97 64.8 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.186 -0.461 . . . . 75.22 110.938 179.894 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -63.55 -30.91 71.96 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.225 -0.443 . . . . 62.41 111.114 179.835 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -57.28 -40.44 77.75 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.165 -0.471 . . . . 64.31 111.079 179.933 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 49' ' ' ILE . . . . . . . . . . . . . 73.6 mt -56.35 -55.67 17.7 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.234 -0.439 . . . . 72.32 111.148 179.963 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -63.86 -24.78 67.88 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.135 -0.484 . . . . 73.22 111.09 179.814 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 3.7 tppt? -77.02 -37.45 54.92 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.223 -0.444 . . . . 74.13 110.879 179.979 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 52' ' ' GLN . . . . . . . . . . . . . 53.4 mt-30 -131.98 -74.35 0.51 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.272 -0.422 . . . . 71.3 110.903 179.996 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . 175.5 153.3 10.16 Favored Glycine 0 N--CA 1.45 -0.373 0 C-N-CA 120.79 -0.719 . . . . 70.22 112.515 -179.967 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 54' ' ' ILE . . . . . . . . . . . . . 16.4 pt -51.83 -35.45 17.97 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-O 120.917 0.389 . . . . 70.55 111.112 -179.947 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 8.9 ptpp? -56.2 -44.85 79.88 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.156 -0.475 . . . . 73.34 110.883 179.866 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 21.2 mmmt -65.7 -38.4 89.13 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.247 -0.433 . . . . 61.01 110.903 179.857 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -56.92 -32.95 66.46 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.207 -0.451 . . . . 73.0 111.133 179.814 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 58' ' ' ILE . . . . . . . . . . . . . 78.5 mt -58.8 -58.69 5.68 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.205 -0.452 . . . . 74.41 111.182 179.946 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 59' ' ' GLN . . . . . . . . . . . . . 52.1 mt-30 -51.75 -33.11 33.38 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.107 -0.497 . . . . 75.41 110.891 179.937 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 1.2 mp . . . . . 0 C--N 1.329 -0.322 0 CA-C-N 116.185 -0.462 . . . . 72.2 110.94 -179.992 . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' A' A ' 1' ' ' LEU . . . . . . . . . . . . . 2.1 mp . . . . . 0 C--O 1.231 0.087 0 CA-C-O 120.857 0.361 . . . . 73.54 110.883 . . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' A' A ' 2' ' ' VAL . . . . . . . . . . . . . 39.1 t -63.16 -49.3 83.79 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.209 -0.451 . . . . 75.45 111.107 179.837 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . -64.36 -30.14 71.19 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.17 -0.468 . . . . 74.23 111.07 179.919 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 4' ' ' TYR . . . . . . . . . . . . . 65.7 t80 -74.08 -49.44 23.99 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.229 -0.441 . . . . 74.14 110.914 -179.843 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . 161.22 -26.85 0.28 Allowed Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 120.781 -0.723 . . . . 74.55 112.542 179.995 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 51.0 mm -58.38 133.84 23.32 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-O 120.837 0.351 . . . . 74.45 111.154 -179.968 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -51.83 137.75 25.42 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.163 -0.471 . . . . 75.02 111.084 179.888 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 43.7 tt0 -67.53 -46.44 72.78 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.204 -0.453 . . . . 62.13 110.889 -179.901 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -54.82 -46.11 77.24 Favored Glycine 0 N--CA 1.451 -0.343 0 C-N-CA 120.716 -0.754 . . . . 71.45 112.503 -179.961 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 94.0 m -76.22 -37.86 57.16 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.766 0.317 . . . . 72.13 111.15 -179.891 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -53.33 -34.65 58.34 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.2 -0.455 . . . . 70.32 111.136 179.885 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 3.4 tt0 -55.61 -56.1 24.28 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.165 -0.47 . . . . 73.13 110.845 -179.935 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 1.3 mptm? -66.3 -38.77 88.49 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.176 -0.465 . . . . 63.41 110.86 -179.973 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 94.1 t -53.47 -37.5 30.26 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.221 -0.445 . . . . 74.23 111.155 179.865 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 57.9 t -55.62 -40.65 60.8 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.205 -0.452 . . . . 75.3 111.11 179.917 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 6.3 t -53.72 -38.02 63.89 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.185 -0.461 . . . . 71.11 110.858 -179.799 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 5.5 mt -71.25 -37.6 71.96 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.115 -0.493 . . . . 61.02 110.906 179.969 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 18' ' ' ILE . . . . . . . . . . . . . 38.7 mt -65.04 -40.62 89.62 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.199 -0.455 . . . . 72.22 111.116 179.88 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 14.9 t-20 -58.23 -25.33 61.54 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.153 -0.476 . . . . 72.51 110.871 179.961 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -64.96 -20.1 66.3 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.182 -0.463 . . . . 52.31 111.094 179.87 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . 87.48 14.46 63.63 Favored Glycine 0 N--CA 1.451 -0.339 0 C-N-CA 120.791 -0.718 . . . . 62.42 112.456 -179.957 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 4.0 mm? -74.94 155.04 37.86 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-O 120.945 0.402 . . . . 74.52 110.871 -179.906 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 17.8 p -84.21 160.69 20.76 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.165 -0.47 . . . . 72.55 111.154 179.947 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 11.3 p -51.44 -29.96 10.11 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.239 -0.437 . . . . 74.35 111.134 179.866 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . -52.95 -49.56 54.57 Favored Glycine 0 N--CA 1.45 -0.372 0 C-N-CA 120.784 -0.722 . . . . 64.32 112.514 179.988 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 1.5 p -70.73 -29.78 66.14 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.839 0.352 . . . . 63.1 110.841 -179.73 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 34.5 mm -60.55 -49.17 85.47 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.137 -0.483 . . . . 72.41 111.124 179.955 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 28' ' ' ILE . . . . . . . . . . . . . 79.1 mt -55.37 -33.02 30.48 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.171 -0.468 . . . . 74.44 111.114 179.837 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 6.2 t -59.91 -51.22 70.61 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.17 -0.468 . . . . 65.02 110.861 -179.861 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 30' ' ' ILE . . . . . . . . . . . . . 3.8 mp -77.59 -24.74 14.6 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.085 -0.507 . . . . 72.5 111.107 179.966 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 6.2 tp -59.9 -27.5 66.78 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.223 -0.444 . . . . 75.35 110.888 179.907 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . 128.09 -38.18 2.14 Favored Glycine 0 N--CA 1.452 -0.292 0 C-N-CA 120.753 -0.737 . . . . 65.42 112.476 179.912 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . 121.98 164.1 12.12 Favored Glycine 0 N--CA 1.451 -0.342 0 C-N-CA 120.76 -0.733 . . . . 73.44 112.503 -179.885 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 34' ' ' VAL . . . . . . . . . . . . . 3.2 t 52.11 27.22 0.13 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-O 120.942 0.401 . . . . 70.15 111.112 -179.961 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 28.5 p -88.64 10.23 21.34 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.22 -0.445 . . . . 75.11 111.132 -179.971 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 36' ' ' VAL . . . . . . . . . . . . . 61.0 t -51.21 102.25 0.03 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.218 -0.446 . . . . 74.44 111.133 179.895 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 162.83 -62.84 0.26 Allowed Glycine 0 N--CA 1.451 -0.339 0 C-N-CA 120.731 -0.747 . . . . 73.4 112.473 179.983 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 1.3 pp -66.72 -13.8 61.77 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.82 0.343 . . . . 74.52 110.939 -179.924 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 74.5 p -51.93 -47.78 64.54 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.165 -0.47 . . . . 74.41 110.82 -179.924 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . -58.3 -20.28 43.33 Favored Glycine 0 N--CA 1.451 -0.342 0 C-N-CA 120.704 -0.76 . . . . 74.42 112.507 -179.946 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 41' ' ' VAL . . . . . . . . . . . . . 90.5 t -94.66 -36.7 7.17 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-O 120.815 0.341 . . . . 72.13 111.129 179.947 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 42' ' ' PHE . . . . . . . . . . . . . 2.2 t80 -53.78 -48.48 69.74 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.216 -0.447 . . . . 71.42 110.881 -179.955 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 1.9 m -54.72 -46.66 74.24 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.118 -0.492 . . . . 73.55 111.164 -179.911 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -61.65 -33.27 73.67 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.202 -0.453 . . . . 74.41 111.099 179.878 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 61.7 t -69.61 -48.11 67.57 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.221 -0.445 . . . . 71.43 111.156 179.931 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 5.5 mtpm? -52.07 -42.34 63.11 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.158 -0.474 . . . . 74.23 110.864 179.941 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -61.93 -40.02 94.06 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.222 -0.444 . . . . 72.45 111.11 179.859 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -57.16 -30.75 64.73 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.209 -0.451 . . . . 74.15 111.094 179.918 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 49' ' ' ILE . . . . . . . . . . . . . 73.1 mt -56.59 -55.86 17.15 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.219 -0.446 . . . . 74.01 111.124 -179.969 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -64.84 -22.43 66.99 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.183 -0.462 . . . . 71.42 111.105 179.823 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 26.9 mmtm -76.92 -46.03 25.72 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.224 -0.443 . . . . 74.25 110.918 179.915 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 52' ' ' GLN . . . . . . . . . . . . . 4.6 mt-30 -124.08 -68.61 0.85 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.24 -0.437 . . . . 73.21 110.94 179.94 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . 173.5 155.97 12.54 Favored Glycine 0 N--CA 1.45 -0.368 0 C-N-CA 120.723 -0.751 . . . . 71.12 112.509 -179.96 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 54' ' ' ILE . . . . . . . . . . . . . 20.5 pt -51.77 -33.69 15.73 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-O 120.876 0.369 . . . . 75.51 111.102 -179.976 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -55.58 -40.0 71.41 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.238 -0.437 . . . . 71.14 110.873 179.87 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 4.7 mptp? -65.87 -38.32 88.48 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.251 -0.431 . . . . 71.42 110.893 179.908 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -55.75 -35.13 65.86 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.212 -0.449 . . . . 73.41 111.1 179.832 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 58' ' ' ILE . . . . . . . . . . . . . 77.3 mt -56.59 -56.12 15.72 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.228 -0.442 . . . . 70.35 111.13 179.97 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 59' ' ' GLN . . . . . . . . . . . . . 35.9 mt-30 -57.65 -27.1 62.54 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.214 -0.448 . . . . 74.55 110.933 179.957 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 C--N 1.328 -0.33 0 CA-C-N 116.165 -0.47 . . . . 71.32 110.92 179.997 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 1' ' ' LEU . . . . . . . . . . . . . 8.1 mp . . . . . 0 C--O 1.231 0.122 0 CA-C-O 120.861 0.362 . . . . 73.44 110.874 . . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' A' A ' 2' ' ' VAL . . . . . . . . . . . . . 71.1 t -62.46 -49.84 82.24 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.239 -0.437 . . . . 65.13 111.138 179.846 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . -64.44 -29.71 70.76 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.203 -0.453 . . . . 72.4 111.132 179.859 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 4' ' ' TYR . . . . . . . . . . . . . 1.1 m-85 -74.26 -50.96 16.8 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.162 -0.472 . . . . 74.14 110.921 -179.861 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . 164.06 -27.28 0.21 Allowed Glycine 0 N--CA 1.452 -0.293 0 C-N-CA 120.73 -0.748 . . . . 55.22 112.465 179.968 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 50.6 mm -56.89 138.03 18.15 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-O 120.841 0.353 . . . . 73.4 111.145 -179.959 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -51.5 143.25 12.41 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.207 -0.451 . . . . 61.34 111.089 179.831 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 24.9 pt20 -67.84 -42.46 81.39 Favored 'General case' 0 C--N 1.33 -0.283 0 CA-C-N 116.252 -0.431 . . . . 73.53 110.895 -179.923 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -68.14 -43.81 79.19 Favored Glycine 0 N--CA 1.452 -0.286 0 C-N-CA 120.732 -0.747 . . . . 71.24 112.492 -179.981 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 63.4 m -75.86 -25.74 56.46 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-O 120.757 0.313 . . . . 65.03 111.091 -179.832 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -51.08 -38.56 52.43 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.223 -0.444 . . . . 65.05 111.121 179.869 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 5.7 tm-20 -71.91 -33.39 68.26 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.269 -0.423 . . . . 75.34 110.919 -179.939 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 8.8 mtpm? -69.36 -54.48 14.31 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.166 -0.47 . . . . 74.43 110.893 179.936 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 14.9 m -52.49 -41.18 35.47 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.258 -0.428 . . . . 73.34 111.093 179.861 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 55.1 t -57.44 -44.15 84.03 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.212 -0.449 . . . . 64.34 111.137 179.918 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 10.1 t -53.6 -35.03 60.44 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.183 -0.462 . . . . 72.45 110.838 -179.834 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 2.7 tp -71.49 -28.79 64.17 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.1 -0.5 . . . . 71.14 110.941 -179.991 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 18' ' ' ILE . . . . . . . . . . . . . 21.3 mt -65.22 -38.26 82.21 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.158 -0.474 . . . . 75.34 111.167 179.808 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 10.0 t-20 -58.74 -22.18 57.09 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.194 -0.457 . . . . 72.44 110.875 179.93 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -64.88 -20.06 66.23 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.125 -0.488 . . . . 74.24 111.074 179.913 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . 93.75 -6.29 73.67 Favored Glycine 0 N--CA 1.451 -0.34 0 C-N-CA 120.753 -0.737 . . . . 63.32 112.483 -179.95 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 3.9 pp -67.65 141.96 56.55 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-O 120.875 0.369 . . . . 74.24 110.915 -179.921 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 30.6 p -76.85 171.46 14.7 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.197 -0.456 . . . . 73.51 111.114 179.976 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 10.5 p -51.41 -30.34 10.51 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.191 -0.459 . . . . 71.23 111.08 179.903 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . -52.98 -38.42 55.38 Favored Glycine 0 N--CA 1.45 -0.368 0 C-N-CA 120.773 -0.727 . . . . 61.54 112.495 -179.975 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 2.1 m -70.77 -31.87 68.8 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 120.853 0.358 . . . . 72.31 110.849 -179.734 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 40.7 mm -61.42 -47.08 95.07 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.101 -0.5 . . . . 62.42 111.143 179.931 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 28' ' ' ILE . . . . . . . . . . . . . 40.2 mm -59.98 -36.37 66.65 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.156 -0.475 . . . . 73.54 111.147 179.837 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 2.0 t -60.55 -32.81 71.85 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.186 -0.461 . . . . 65.13 110.866 -179.934 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 30' ' ' ILE . . . . . . . . . . . . . 51.9 mm -77.19 -54.94 11.93 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.128 -0.487 . . . . 73.41 111.136 179.965 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 4.2 mm? -52.38 -41.9 63.52 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.2 -0.455 . . . . 75.1 110.898 179.91 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . 66.26 23.85 71.77 Favored Glycine 0 N--CA 1.45 -0.372 0 C-N-CA 120.759 -0.734 . . . . 75.2 112.546 179.929 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -138.28 -174.74 13.55 Favored Glycine 0 N--CA 1.452 -0.285 0 C-N-CA 120.746 -0.74 . . . . 74.14 112.427 -179.866 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 34' ' ' VAL . . . . . . . . . . . . . 16.1 m -77.35 59.86 0.12 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-O 120.906 0.384 . . . . 74.24 111.147 -179.967 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 2.8 p -86.93 7.07 28.95 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.186 -0.461 . . . . 75.54 111.151 -179.973 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 36' ' ' VAL . . . . . . . . . . . . . 33.4 m -58.03 -22.52 19.29 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.237 -0.438 . . . . 74.32 111.115 179.945 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . -81.06 -56.33 3.08 Favored Glycine 0 N--CA 1.451 -0.33 0 C-N-CA 120.707 -0.759 . . . . 61.02 112.512 179.982 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 3.1 pp -66.29 -36.68 83.59 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 120.782 0.325 . . . . 72.14 110.903 -179.948 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 39.2 p -59.83 -21.03 60.35 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.208 -0.451 . . . . 72.0 110.847 -179.881 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . -52.65 -27.28 26.81 Favored Glycine 0 N--CA 1.451 -0.34 0 C-N-CA 120.739 -0.743 . . . . 75.34 112.497 179.966 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 41' ' ' VAL . . . . . . . . . . . . . 18.9 m -93.42 -21.59 5.99 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-O 120.808 0.337 . . . . 73.31 111.067 -179.947 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 42' ' ' PHE . . . . . . . . . . . . . 4.7 t80 -51.9 -39.72 59.53 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.249 -0.432 . . . . 74.44 110.891 -179.944 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -59.19 -51.48 69.83 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.156 -0.475 . . . . 74.32 111.146 -179.945 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -63.86 -29.83 70.98 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.188 -0.46 . . . . 72.42 111.073 179.896 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 90.1 t -65.13 -36.11 77.0 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.231 -0.441 . . . . 70.24 111.154 179.959 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 2.5 ttmp? -55.98 -48.8 75.18 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.154 -0.475 . . . . 75.13 110.933 179.869 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -61.99 -30.06 70.68 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.211 -0.45 . . . . 73.33 111.075 179.835 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -58.74 -45.34 89.88 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.226 -0.443 . . . . 74.22 111.147 179.936 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 49' ' ' ILE . . . . . . . . . . . . . 4.1 mt -56.26 -52.84 46.74 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.213 -0.449 . . . . 75.13 111.153 179.964 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -65.08 -25.04 67.63 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.147 -0.478 . . . . 74.32 111.054 179.848 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 31.5 tptt -77.37 -39.82 46.05 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.22 -0.446 . . . . 74.14 110.847 -179.969 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 52' ' ' GLN . . . . . . . . . . . . . 28.2 mm-40 -134.42 -64.5 0.68 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.199 -0.455 . . . . 72.45 110.87 -179.974 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . 165.9 157.61 10.2 Favored Glycine 0 N--CA 1.451 -0.325 0 C-N-CA 120.775 -0.726 . . . . 71.35 112.516 -179.905 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 54' ' ' ILE . . . . . . . . . . . . . 1.7 pp -51.68 -30.56 11.73 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.358 0 CA-C-O 120.941 0.4 . . . . 73.13 111.137 179.988 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 15.2 ptmt -52.58 -46.45 66.92 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.149 -0.478 . . . . 75.53 110.874 179.907 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 32.1 tptt -66.54 -34.79 78.69 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.272 -0.422 . . . . 73.31 110.902 179.883 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -58.08 -33.08 68.68 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.208 -0.451 . . . . 73.4 111.137 179.791 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 58' ' ' ILE . . . . . . . . . . . . . 67.8 mt -57.61 -60.04 2.61 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.19 -0.459 . . . . 74.4 111.162 179.949 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 59' ' ' GLN . . . . . . . . . . . . . 60.7 mm-40 -55.45 -31.9 62.32 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.185 -0.461 . . . . 62.41 110.881 179.971 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 1.2 mt . . . . . 0 C--N 1.328 -0.339 0 CA-C-N 116.252 -0.431 . . . . 71.54 110.886 179.982 . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' A' A ' 1' ' ' LEU . . . . . . . . . . . . . 45.3 mt . . . . . 0 C--O 1.231 0.119 0 CA-C-O 120.864 0.364 . . . . 71.42 110.903 . . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' A' A ' 2' ' ' VAL . . . . . . . . . . . . . 90.3 t -59.5 -51.43 72.74 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.238 -0.437 . . . . 73.42 111.115 179.852 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . -65.07 -28.69 69.64 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.181 -0.463 . . . . 75.45 111.063 179.912 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 4' ' ' TYR . . . . . . . . . . . . . 2.7 m-85 -74.1 -50.65 18.56 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.223 -0.444 . . . . 64.24 110.936 -179.868 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . 160.79 49.75 0.02 OUTLIER Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.759 -0.734 . . . . 75.24 112.513 179.973 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 45.9 mm -131.28 144.24 38.26 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-O 120.849 0.357 . . . . 74.02 111.107 -179.975 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -51.46 151.2 3.18 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.138 -0.483 . . . . 74.44 111.078 179.86 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 28.9 tt0 -68.0 -57.11 6.7 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.214 -0.448 . . . . 73.23 110.908 -179.914 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -71.0 -37.17 64.4 Favored Glycine 0 N--CA 1.451 -0.325 0 C-N-CA 120.777 -0.725 . . . . 62.33 112.52 179.995 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 3.3 m -70.91 -25.78 62.92 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-O 120.776 0.322 . . . . 74.43 111.157 -179.892 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -51.01 -38.73 53.08 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.209 -0.451 . . . . 71.34 111.093 179.872 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 39.9 mt-10 -71.8 -33.56 68.65 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.227 -0.442 . . . . 72.3 110.861 -179.898 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 32.9 tttt -69.27 -54.5 14.35 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.183 -0.462 . . . . 73.11 110.902 179.935 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 15.4 m -52.76 -41.16 37.89 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.264 0 CA-C-N 116.234 -0.439 . . . . 74.54 111.144 179.911 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 72.5 t -61.12 -42.81 94.67 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.133 -0.485 . . . . 74.4 111.148 179.893 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 3.2 t -53.48 -34.94 59.88 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.19 -0.459 . . . . 75.1 110.868 -179.879 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 3.0 mm? -71.54 -28.88 64.18 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.12 -0.491 . . . . 72.33 110.894 -179.959 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 18' ' ' ILE . . . . . . . . . . . . . 21.4 mt -65.3 -48.12 84.58 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.217 -0.447 . . . . 74.1 111.128 179.849 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 10.2 t-20 -58.37 -22.79 54.93 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.178 -0.464 . . . . 74.2 110.866 179.937 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -64.87 -20.01 66.2 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.179 -0.464 . . . . 73.13 111.123 179.869 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . 82.82 83.08 0.89 Allowed Glycine 0 N--CA 1.452 -0.271 0 C-N-CA 120.759 -0.734 . . . . 71.14 112.468 -179.987 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 8.9 mt -160.2 162.08 33.72 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.912 0.387 . . . . 71.5 110.875 -179.924 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 1.3 p -77.15 157.11 31.15 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.203 -0.453 . . . . 73.33 111.124 179.958 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 18.8 m -51.4 -30.26 10.38 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.194 -0.457 . . . . 75.14 111.075 179.954 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . -53.05 -41.7 60.37 Favored Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 120.727 -0.749 . . . . 63.1 112.495 179.982 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 24.1 t -63.6 -27.92 69.57 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.835 0.35 . . . . 74.33 110.878 -179.775 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 36.7 mm -62.92 -53.5 45.86 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.134 -0.485 . . . . 71.24 111.088 179.965 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 28' ' ' ILE . . . . . . . . . . . . . 65.2 mt -60.23 -32.92 51.84 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.164 -0.471 . . . . 62.14 111.158 179.885 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 2.6 m -55.56 -41.68 73.62 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.156 -0.475 . . . . 75.43 110.885 -179.926 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 30' ' ' ILE . . . . . . . . . . . . . 75.6 mt -77.27 -46.12 28.81 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.103 -0.498 . . . . 75.41 111.111 179.963 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 4.1 mm? -54.49 -41.97 70.21 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.179 -0.464 . . . . 75.5 110.909 179.91 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . 57.51 43.75 93.99 Favored Glycine 0 N--CA 1.451 -0.323 0 C-N-CA 120.78 -0.724 . . . . 55.42 112.502 179.93 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -144.14 -173.3 15.45 Favored Glycine 0 N--CA 1.451 -0.34 0 C-N-CA 120.71 -0.757 . . . . 62.1 112.47 -179.94 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 34' ' ' VAL . . . . . . . . . . . . . 15.7 t -77.66 59.39 0.12 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-O 120.943 0.401 . . . . 72.21 111.099 -179.899 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -86.95 7.01 29.3 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.146 -0.479 . . . . 73.45 111.149 -179.968 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 36' ' ' VAL . . . . . . . . . . . . . 54.6 t -57.7 98.79 0.06 OUTLIER 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.189 -0.459 . . . . 74.22 111.12 179.916 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 143.11 -52.06 0.64 Allowed Glycine 0 N--CA 1.452 -0.252 0 C-N-CA 120.732 -0.747 . . . . 73.25 112.457 179.96 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 7.8 mp -58.6 -23.07 57.98 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-O 120.804 0.335 . . . . 75.23 110.899 -179.862 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 1.7 m -56.1 -25.37 45.39 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.211 -0.45 . . . . 72.33 110.849 -179.942 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . -74.16 -32.29 58.54 Favored Glycine 0 N--CA 1.452 -0.294 0 C-N-CA 120.739 -0.743 . . . . 63.11 112.505 -179.997 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 41' ' ' VAL . . . . . . . . . . . . . 35.5 m -93.35 -24.67 5.09 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-O 120.857 0.36 . . . . 63.14 111.086 -179.939 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 42' ' ' PHE . . . . . . . . . . . . . 24.1 t80 -55.56 -56.02 25.2 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.216 -0.447 . . . . 75.4 110.873 -179.991 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 5.4 t -56.49 -39.06 72.63 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.169 -0.468 . . . . 72.55 111.169 -179.915 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -63.6 -36.41 83.72 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.216 -0.447 . . . . 74.52 111.07 179.904 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 88.7 t -69.64 -35.34 65.45 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.223 -0.444 . . . . 61.14 111.111 179.993 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 1.4 ttmp? -57.75 -51.48 69.39 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.175 -0.466 . . . . 73.11 110.92 179.887 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -57.02 -31.78 65.49 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.252 -0.431 . . . . 74.32 111.105 179.852 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -57.82 -30.21 65.54 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.229 -0.442 . . . . 61.13 111.073 179.936 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 49' ' ' ILE . . . . . . . . . . . . . 78.0 mt -56.38 -55.97 16.13 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-N 116.216 -0.447 . . . . 75.32 111.125 -179.988 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -62.74 -24.21 67.58 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.176 -0.465 . . . . 64.54 111.102 179.812 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 22.7 tttm -76.99 -44.68 30.1 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.179 -0.464 . . . . 75.33 110.908 179.987 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 52' ' ' GLN . . . . . . . . . . . . . 28.5 mt-30 -122.35 -74.63 0.61 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.226 -0.443 . . . . 73.02 110.902 179.963 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . 175.79 153.88 10.88 Favored Glycine 0 N--CA 1.451 -0.328 0 C-N-CA 120.715 -0.755 . . . . 73.31 112.47 -179.953 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 54' ' ' ILE . . . . . . . . . . . . . 16.5 pt -51.71 -35.55 17.64 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-O 120.919 0.39 . . . . 75.22 111.147 179.99 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 12.2 ptmm? -53.19 -47.03 69.21 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.15 -0.477 . . . . 75.34 110.881 179.857 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 17.0 mmmt -66.21 -34.31 77.73 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.263 -0.426 . . . . 73.24 110.897 179.869 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -57.47 -33.56 68.11 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.212 -0.449 . . . . 74.24 111.093 179.817 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 58' ' ' ILE . . . . . . . . . . . . . 79.9 mt -60.45 -60.05 3.19 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.201 -0.454 . . . . 63.41 111.119 -179.991 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 59' ' ' GLN . . . . . . . . . . . . . 31.1 mt-30 -59.73 -26.99 66.09 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.205 -0.452 . . . . 62.24 110.889 179.947 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 2.7 mt . . . . . 0 C--N 1.328 -0.349 0 CA-C-N 116.224 -0.443 . . . . 74.31 110.958 179.971 . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' A' A ' 1' ' ' LEU . . . . . . . . . . . . . 7.0 mp . . . . . 0 C--O 1.231 0.119 0 CA-C-O 120.816 0.341 . . . . 74.32 110.925 . . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' A' A ' 2' ' ' VAL . . . . . . . . . . . . . 39.0 t -63.22 -49.51 82.85 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.212 -0.449 . . . . 74.05 111.122 179.84 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . -64.28 -29.22 70.31 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.221 -0.445 . . . . 74.4 111.129 179.85 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 4' ' ' TYR . . . . . . . . . . . . . 0.9 OUTLIER -74.06 -51.09 16.86 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.186 -0.461 . . . . 73.34 110.943 -179.849 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . 161.38 -24.46 0.24 Allowed Glycine 0 N--CA 1.451 -0.34 0 C-N-CA 120.767 -0.73 . . . . 62.32 112.469 179.943 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 2.7 mp -63.23 137.08 25.25 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-O 120.859 0.361 . . . . 74.31 111.15 -179.979 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -51.21 142.08 13.49 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.215 -0.448 . . . . 65.05 111.135 179.807 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 33.0 tt0 -67.6 -48.72 66.01 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.23 -0.441 . . . . 75.31 110.936 -179.97 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -54.55 -48.32 65.81 Favored Glycine 0 N--CA 1.452 -0.298 0 C-N-CA 120.732 -0.747 . . . . 72.43 112.5 -179.988 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 69.2 m -76.97 -25.94 53.36 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-O 120.78 0.324 . . . . 72.23 111.13 -179.825 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -51.61 -39.28 57.71 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.174 -0.466 . . . . 72.45 111.078 179.881 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 4.3 tt0 -72.08 -33.25 67.75 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.238 -0.437 . . . . 73.12 110.863 -179.895 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 33.3 mtmt -69.43 -54.2 15.54 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.212 -0.449 . . . . 64.5 110.895 179.975 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 17.1 m -52.11 -34.99 18.34 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.237 -0.438 . . . . 65.33 111.113 179.876 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 54.2 t -55.51 -47.21 78.81 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.206 -0.452 . . . . 74.15 111.136 179.926 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 22.9 t -53.52 -33.44 54.49 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.171 -0.468 . . . . 71.42 110.846 -179.818 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -71.35 -30.41 66.14 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.098 -0.501 . . . . 64.43 110.927 179.958 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 18' ' ' ILE . . . . . . . . . . . . . 22.4 mt -65.42 -50.01 75.11 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.352 0 CA-C-N 116.213 -0.449 . . . . 75.21 111.092 179.891 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 11.4 t-20 -58.91 -21.6 58.03 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.218 -0.447 . . . . 73.23 110.897 179.9 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -64.81 -20.06 66.18 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.167 -0.469 . . . . 73.15 111.114 179.874 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . 91.46 77.71 1.36 Allowed Glycine 0 N--CA 1.451 -0.323 0 C-N-CA 120.757 -0.735 . . . . 64.51 112.54 -179.946 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 9.1 mt -160.17 144.85 14.66 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.934 0.397 . . . . 72.25 110.895 -179.899 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 69.3 p -76.65 165.47 24.72 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.154 -0.475 . . . . 73.25 111.175 179.947 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 18.6 m -51.48 -30.35 10.77 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.266 -0.425 . . . . 75.32 111.142 179.936 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . -53.22 -36.78 53.38 Favored Glycine 0 N--CA 1.451 -0.339 0 C-N-CA 120.728 -0.748 . . . . 64.43 112.472 -179.992 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 1.8 m -70.51 -28.03 64.65 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.799 0.333 . . . . 74.54 110.825 -179.735 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 47.6 mm -67.9 -49.34 69.76 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.175 -0.466 . . . . 73.3 111.111 179.948 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 28' ' ' ILE . . . . . . . . . . . . . 42.1 mt -51.97 -32.91 15.53 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.177 -0.465 . . . . 72.25 111.136 179.867 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 22.5 m -58.66 -36.71 74.58 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.223 -0.444 . . . . 72.15 110.873 -179.931 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 30' ' ' ILE . . . . . . . . . . . . . 48.7 mt -77.26 -61.04 1.84 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.095 -0.502 . . . . 74.1 111.119 179.967 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 88.1 mt -53.76 -27.97 31.82 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.188 -0.46 . . . . 74.31 110.924 179.911 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . 91.84 13.08 58.44 Favored Glycine 0 N--CA 1.451 -0.305 0 C-N-CA 120.691 -0.766 . . . . 75.41 112.492 179.916 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . 52.17 35.9 43.15 Favored Glycine 0 N--CA 1.451 -0.303 0 C-N-CA 120.754 -0.736 . . . . 54.13 112.495 -179.899 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 34' ' ' VAL . . . . . . . . . . . . . 12.4 p -78.26 -31.08 16.02 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.261 0 CA-C-O 120.925 0.393 . . . . 72.01 111.128 -179.933 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 9.7 t -86.79 -36.47 18.53 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.171 -0.468 . . . . 74.13 111.121 -179.974 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 36' ' ' VAL . . . . . . . . . . . . . 21.3 t 51.0 63.43 0.21 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.249 -0.432 . . . . 74.24 111.12 179.916 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . -179.32 -34.98 0.06 OUTLIER Glycine 0 N--CA 1.452 -0.261 0 C-N-CA 120.748 -0.739 . . . . 74.41 112.494 -179.994 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 7.4 mp -58.24 -23.26 55.35 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.801 0.334 . . . . 72.14 110.896 -179.884 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 6.5 t -65.22 -24.52 67.37 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.235 -0.439 . . . . 74.24 110.882 -179.952 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . -79.42 -30.25 46.04 Favored Glycine 0 N--CA 1.451 -0.364 0 C-N-CA 120.794 -0.717 . . . . 65.51 112.494 179.994 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 41' ' ' VAL . . . . . . . . . . . . . 18.9 m -93.11 -24.09 5.31 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-O 120.889 0.376 . . . . 72.44 111.133 -179.95 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 42' ' ' PHE . . . . . . . . . . . . . 5.0 t80 -62.87 -44.09 97.05 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.16 -0.473 . . . . 75.41 110.861 -179.912 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -57.55 -40.78 79.62 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.12 -0.491 . . . . 74.11 111.142 -179.884 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -65.37 -37.25 86.46 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.217 -0.447 . . . . 64.33 111.122 179.856 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 92.3 t -65.91 -33.32 62.78 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-N 116.198 -0.456 . . . . 70.54 111.155 179.979 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 41.6 tptt -55.89 -52.91 62.41 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.182 -0.463 . . . . 75.23 110.917 179.878 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -62.93 -30.2 71.37 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.237 -0.438 . . . . 65.33 111.08 179.811 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -63.23 -42.87 99.3 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.24 -0.436 . . . . 72.45 111.087 179.974 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 49' ' ' ILE . . . . . . . . . . . . . 59.1 mt -56.42 -55.93 16.43 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.198 -0.455 . . . . 73.43 111.14 179.963 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -65.01 -21.71 66.89 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.179 -0.464 . . . . 71.42 111.064 179.843 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 1.2 mmmm -76.98 -60.96 2.14 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.224 -0.444 . . . . 75.11 110.893 -179.995 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 52' ' ' GLN . . . . . . . . . . . . . 28.3 mm-40 -105.8 -63.89 1.21 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.251 -0.431 . . . . 71.3 110.892 179.941 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . 168.67 157.94 12.05 Favored Glycine 0 N--CA 1.451 -0.344 0 C-N-CA 120.725 -0.75 . . . . 60.14 112.489 -179.956 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 54' ' ' ILE . . . . . . . . . . . . . 18.3 pt -51.6 -34.68 16.2 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-O 120.897 0.379 . . . . 71.41 111.128 -179.952 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 8.2 ptmt -53.97 -46.33 71.62 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.177 -0.465 . . . . 75.34 110.85 179.871 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -66.32 -32.75 74.34 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.286 -0.415 . . . . 72.34 110.877 179.904 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -58.25 -33.58 69.52 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.245 -0.434 . . . . 74.44 111.116 179.806 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 58' ' ' ILE . . . . . . . . . . . . . 79.3 mt -61.12 -59.48 4.2 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.241 -0.436 . . . . 75.41 111.129 -179.997 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 59' ' ' GLN . . . . . . . . . . . . . 0.3 OUTLIER -51.92 -32.53 33.19 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.148 -0.478 . . . . 74.51 110.886 179.956 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 1.1 mt . . . . . 0 C--N 1.328 -0.334 0 CA-C-N 116.236 -0.438 . . . . 74.51 110.926 -180.0 . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' A' A ' 1' ' ' LEU . . . . . . . . . . . . . 4.4 mm? . . . . . 0 C--O 1.231 0.124 0 CA-C-O 120.841 0.353 . . . . 74.34 110.953 . . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' A' A ' 2' ' ' VAL . . . . . . . . . . . . . 90.9 t -63.02 -49.56 83.04 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.172 -0.467 . . . . 73.14 111.154 179.794 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . -64.1 -31.15 72.23 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.18 -0.464 . . . . 72.03 111.107 179.89 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 4' ' ' TYR . . . . . . . . . . . . . 1.0 OUTLIER -74.1 -49.87 22.03 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.201 -0.454 . . . . 71.22 110.918 -179.837 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . 159.15 58.38 0.01 OUTLIER Glycine 0 N--CA 1.451 -0.3 0 C-N-CA 120.733 -0.746 . . . . 72.01 112.449 179.955 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 46.8 mm -140.56 143.8 28.43 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-O 120.831 0.348 . . . . 75.54 111.148 179.982 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -54.06 151.53 6.82 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.162 -0.472 . . . . 75.01 111.164 179.784 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 21.9 tt0 -64.25 -56.98 10.86 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.263 -0.426 . . . . 73.11 110.924 -179.923 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -71.06 -27.05 72.71 Favored Glycine 0 N--CA 1.451 -0.352 0 C-N-CA 120.728 -0.749 . . . . 75.13 112.463 -179.957 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 35.0 m -75.25 -47.27 28.88 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.791 0.329 . . . . 64.52 111.133 -179.881 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -51.53 -30.96 22.31 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.201 -0.454 . . . . 64.14 111.097 179.915 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 7.0 tt0 -69.62 -53.38 19.01 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.197 -0.456 . . . . 75.34 110.912 -179.933 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 44.3 tttm -62.92 -41.65 99.53 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.121 -0.49 . . . . 74.52 110.926 179.952 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 99.0 t -53.12 -34.86 22.07 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.266 0 CA-C-N 116.196 -0.456 . . . . 72.41 111.098 179.914 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 92.2 t -55.43 -40.89 60.16 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.194 -0.457 . . . . 73.44 111.163 179.882 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 5.1 t -61.01 -32.2 71.8 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.16 -0.473 . . . . 74.22 110.856 -179.906 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 1.4 mp -71.32 -31.38 67.33 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.138 -0.483 . . . . 74.32 110.932 -179.954 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 18' ' ' ILE . . . . . . . . . . . . . 29.9 mt -65.22 -48.17 84.57 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.162 -0.472 . . . . 74.3 111.161 179.803 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 18.0 t-20 -57.96 -29.43 65.2 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.176 -0.466 . . . . 74.45 110.889 179.917 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -65.04 -20.06 66.3 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.205 -0.452 . . . . 71.31 111.114 179.905 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . 87.86 18.76 55.68 Favored Glycine 0 N--CA 1.451 -0.361 0 C-N-CA 120.715 -0.755 . . . . 64.25 112.546 -179.942 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 13.4 mt -74.89 154.09 38.35 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 120.894 0.378 . . . . 75.33 110.909 -179.918 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 1.9 p -76.73 139.27 40.39 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.184 -0.462 . . . . 74.12 111.117 179.952 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 19.1 m -51.46 -30.53 10.94 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.204 -0.453 . . . . 74.34 111.095 179.906 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . -54.22 -32.68 51.17 Favored Glycine 0 N--CA 1.451 -0.309 0 C-N-CA 120.745 -0.74 . . . . 74.22 112.482 -179.996 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 6.0 p -67.79 -28.14 67.34 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.847 0.356 . . . . 73.14 110.87 -179.731 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 43.0 mm -60.3 -41.83 88.48 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.158 -0.474 . . . . 72.05 111.161 179.875 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 28' ' ' ILE . . . . . . . . . . . . . 62.0 mt -60.36 -45.72 96.14 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 116.137 -0.483 . . . . 73.13 111.157 179.876 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 15.7 m -57.32 -30.89 65.14 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.149 -0.478 . . . . 62.21 110.895 -179.93 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 30' ' ' ILE . . . . . . . . . . . . . 47.4 mt -70.04 -60.95 1.91 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.081 -0.509 . . . . 74.32 111.084 179.992 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 4.3 mm? -55.21 -42.12 72.89 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.184 -0.462 . . . . 74.44 110.939 179.896 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . 51.75 28.51 23.35 Favored Glycine 0 N--CA 1.451 -0.333 0 C-N-CA 120.762 -0.733 . . . . 41.23 112.474 179.861 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -129.63 61.16 0.66 Allowed Glycine 0 N--CA 1.451 -0.309 0 C-N-CA 120.693 -0.765 . . . . 73.44 112.504 -179.911 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 34' ' ' VAL . . . . . . . . . . . . . 11.7 t 49.55 54.96 0.36 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-O 120.944 0.402 . . . . 73.43 111.142 -179.94 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -87.04 7.47 27.58 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.177 -0.465 . . . . 71.14 111.104 -179.943 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 36' ' ' VAL . . . . . . . . . . . . . 4.8 m -55.04 100.61 0.05 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.261 -0.427 . . . . 73.42 111.171 179.874 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 140.94 -41.47 1.26 Allowed Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 120.774 -0.727 . . . . 74.4 112.503 -179.977 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 74.8 mt -65.43 -18.27 65.19 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.866 0.365 . . . . 72.14 110.971 -179.934 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 13.4 p -69.25 -39.8 78.23 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.139 -0.482 . . . . 73.2 110.853 -179.911 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . -65.17 -22.34 68.92 Favored Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 120.733 -0.746 . . . . 54.14 112.485 -179.937 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 41' ' ' VAL . . . . . . . . . . . . . 6.2 p -101.85 -23.35 4.41 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-O 120.844 0.354 . . . . 72.41 111.162 179.972 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 42' ' ' PHE . . . . . . . . . . . . . 11.2 t80 -58.89 -49.3 78.31 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.2 -0.454 . . . . 74.45 110.929 179.98 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 85.2 m -57.94 -44.18 86.78 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.104 -0.498 . . . . 74.14 111.15 -179.977 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -59.5 -36.64 76.46 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.242 -0.436 . . . . 74.35 111.097 179.889 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 72.1 t -70.76 -32.84 50.4 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.237 -0.438 . . . . 73.2 111.107 -179.977 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 2.2 ttpm? -52.04 -52.79 48.6 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.154 -0.475 . . . . 75.44 110.896 179.94 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -63.3 -30.01 71.22 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.231 -0.44 . . . . 73.22 111.114 179.804 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -57.29 -28.93 63.46 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.237 -0.438 . . . . 65.01 111.079 179.928 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 49' ' ' ILE . . . . . . . . . . . . . 53.0 mt -56.45 -55.8 17.17 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.26 -0.427 . . . . 74.11 111.142 179.996 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -62.19 -23.93 66.91 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.223 -0.444 . . . . 73.54 111.136 179.771 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -76.97 -49.44 15.47 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.242 -0.436 . . . . 74.34 110.93 179.958 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 52' ' ' GLN . . . . . . . . . . . . . 28.4 mm-40 -108.17 -70.98 0.78 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.208 -0.451 . . . . 75.22 110.939 179.921 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . 169.57 156.45 10.88 Favored Glycine 0 N--CA 1.451 -0.303 0 C-N-CA 120.793 -0.718 . . . . 75.53 112.556 -179.965 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 54' ' ' ILE . . . . . . . . . . . . . 51.3 mt -53.81 -43.35 56.18 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-O 120.929 0.395 . . . . 74.31 111.16 179.971 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 8.8 ptpp? -56.73 -43.55 80.76 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.14 -0.482 . . . . 70.12 110.883 179.901 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -65.22 -29.86 70.7 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.2 -0.454 . . . . 74.41 110.913 179.862 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -59.71 -41.28 90.44 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.198 -0.455 . . . . 73.4 111.102 179.807 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 58' ' ' ILE . . . . . . . . . . . . . 61.3 mt -56.56 -58.0 7.12 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.179 -0.464 . . . . 71.21 111.165 179.992 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 59' ' ' GLN . . . . . . . . . . . . . 10.3 mm100 -53.51 -32.42 50.31 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.168 -0.469 . . . . 74.31 110.923 179.943 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 1.3 mt . . . . . 0 C--N 1.328 -0.36 0 CA-C-N 116.185 -0.461 . . . . 73.43 110.911 179.973 . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' A' A ' 1' ' ' LEU . . . . . . . . . . . . . 4.3 mm? . . . . . 0 C--O 1.231 0.104 0 CA-C-O 120.854 0.359 . . . . 73.35 110.961 . . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' A' A ' 2' ' ' VAL . . . . . . . . . . . . . 66.7 t -60.41 -51.41 73.29 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.18 -0.464 . . . . 75.52 111.111 179.83 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . -64.95 -27.22 68.69 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.209 -0.45 . . . . 73.12 111.108 179.891 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 4' ' ' TYR . . . . . . . . . . . . . 2.3 m-85 -73.92 -50.98 17.58 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.206 -0.452 . . . . 72.21 110.909 -179.831 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . 163.05 -26.18 0.22 Allowed Glycine 0 N--CA 1.452 -0.292 0 C-N-CA 120.708 -0.758 . . . . 61.42 112.486 179.958 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 48.1 mm -61.49 138.94 21.34 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-O 120.779 0.323 . . . . 75.33 111.149 -179.962 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -51.45 143.16 12.38 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.169 -0.469 . . . . 72.34 111.087 179.819 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 26.6 tt0 -67.97 -56.94 7.13 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.215 -0.448 . . . . 70.11 110.894 -179.903 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -52.17 -42.31 55.17 Favored Glycine 0 N--CA 1.451 -0.341 0 C-N-CA 120.745 -0.741 . . . . 65.34 112.501 179.984 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 27.4 m -77.03 -25.7 52.87 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-O 120.758 0.313 . . . . 72.43 111.141 -179.847 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -50.79 -39.02 51.62 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.195 -0.457 . . . . 72.31 111.106 179.927 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 3.3 tt0 -71.89 -33.86 68.69 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.227 -0.442 . . . . 75.53 110.874 -179.961 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 34.9 mttm -69.45 -54.45 14.26 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.126 -0.488 . . . . 72.11 110.92 179.963 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 4.1 p -52.74 -43.07 43.77 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.216 -0.447 . . . . 72.22 111.127 179.892 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 55.6 t -55.4 -45.76 78.25 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.148 -0.478 . . . . 71.41 111.139 179.915 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 1.3 t -57.04 -32.55 66.31 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.203 -0.453 . . . . 52.42 110.925 -179.911 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 2.4 mm? -71.54 -27.67 63.34 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.116 -0.493 . . . . 71.41 110.932 179.955 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 18' ' ' ILE . . . . . . . . . . . . . 19.7 mt -63.26 -46.85 94.62 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.227 -0.442 . . . . 72.52 111.136 179.833 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 13.1 t-20 -58.83 -21.91 57.65 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.21 -0.45 . . . . 73.0 110.864 179.926 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -64.9 -20.09 66.26 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.212 -0.449 . . . . 62.42 111.105 179.903 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . 102.96 -5.31 50.16 Favored Glycine 0 N--CA 1.451 -0.303 0 C-N-CA 120.712 -0.756 . . . . 50.42 112.495 -179.959 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 75.3 mt -67.68 126.29 28.91 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-O 120.923 0.392 . . . . 71.1 110.895 -179.909 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 5.8 p -76.75 173.19 11.95 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.142 -0.481 . . . . 71.04 111.135 179.959 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 22.1 m -51.4 -30.33 10.46 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.231 -0.44 . . . . 73.43 111.133 179.932 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . -64.36 -43.1 97.32 Favored Glycine 0 N--CA 1.451 -0.328 0 C-N-CA 120.762 -0.732 . . . . 71.03 112.485 179.939 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 2.4 m -70.7 -32.22 69.37 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.824 0.345 . . . . 72.02 110.871 -179.741 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 42.7 mm -60.55 -54.9 28.76 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-N 116.15 -0.477 . . . . 75.23 111.147 179.896 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 28' ' ' ILE . . . . . . . . . . . . . 50.3 mm -53.63 -34.42 24.14 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.169 -0.469 . . . . 72.32 111.154 179.881 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 34.2 t -62.87 -33.03 74.42 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.119 -0.491 . . . . 62.43 110.881 -179.931 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 30' ' ' ILE . . . . . . . . . . . . . 50.1 mm -70.07 -25.17 27.19 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.156 -0.475 . . . . 75.33 111.132 179.947 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 4.1 tp -82.47 -25.76 33.26 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.192 -0.458 . . . . 74.41 110.89 179.914 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . 127.96 -21.59 5.54 Favored Glycine 0 N--CA 1.451 -0.346 0 C-N-CA 120.805 -0.712 . . . . 70.4 112.514 179.899 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . 94.83 -4.65 68.71 Favored Glycine 0 N--CA 1.452 -0.292 0 C-N-CA 120.756 -0.735 . . . . 75.01 112.514 -179.907 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 34' ' ' VAL . . . . . . . . . . . . . 18.0 m -74.0 -8.8 12.19 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-O 120.884 0.373 . . . . 75.24 111.108 -179.997 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -78.8 -69.82 0.54 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.233 -0.44 . . . . 75.42 111.113 -179.978 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 36' ' ' VAL . . . . . . . . . . . . . 30.3 t 53.11 77.26 0.07 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.196 -0.456 . . . . 73.41 111.113 179.925 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 157.78 -39.2 0.54 Allowed Glycine 0 N--CA 1.451 -0.325 0 C-N-CA 120.749 -0.739 . . . . 73.43 112.533 179.975 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -58.63 -25.34 62.6 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.795 0.331 . . . . 65.35 110.892 -179.933 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -54.81 -30.96 58.53 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.172 -0.467 . . . . 71.03 110.851 -179.892 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . -75.39 -21.78 76.91 Favored Glycine 0 N--CA 1.451 -0.305 0 C-N-CA 120.76 -0.733 . . . . 54.33 112.472 -179.999 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 41' ' ' VAL . . . . . . . . . . . . . 98.5 t -93.56 -31.56 4.58 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-O 120.869 0.366 . . . . 75.32 111.152 -179.966 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 42' ' ' PHE . . . . . . . . . . . . . 5.4 t80 -65.04 -48.34 74.18 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.141 -0.482 . . . . 63.51 110.839 -179.963 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 4.4 t -54.07 -40.92 67.63 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.118 -0.492 . . . . 73.15 111.175 -179.905 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -66.45 -36.64 83.27 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.208 -0.451 . . . . 71.44 111.096 179.867 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 93.6 t -70.9 -36.69 65.13 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.191 -0.459 . . . . 74.24 111.137 179.971 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 11.7 tttp -51.88 -51.13 58.95 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.184 -0.462 . . . . 74.02 110.953 179.874 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -63.03 -30.5 71.65 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.232 -0.44 . . . . 74.11 111.117 179.793 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -59.63 -39.56 84.72 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.225 -0.443 . . . . 61.32 111.08 179.923 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 49' ' ' ILE . . . . . . . . . . . . . 73.6 mt -56.0 -56.01 15.17 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.344 0 CA-C-N 116.253 -0.43 . . . . 72.13 111.117 179.985 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -64.6 -20.55 66.32 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.185 -0.461 . . . . 63.02 111.071 179.854 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -76.85 -59.37 2.8 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.259 -0.428 . . . . 75.33 110.882 179.973 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 52' ' ' GLN . . . . . . . . . . . . . 37.8 mm-40 -100.59 -74.96 0.59 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.184 -0.462 . . . . 74.34 110.909 179.985 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . 175.93 153.91 10.96 Favored Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 120.756 -0.735 . . . . 63.31 112.483 -179.976 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 54' ' ' ILE . . . . . . . . . . . . . 15.8 pt -51.64 -36.02 17.96 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-O 120.847 0.356 . . . . 72.51 111.1 -179.981 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 9.1 ptpp? -57.11 -46.05 82.93 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.203 -0.453 . . . . 73.42 110.92 179.871 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 35.1 mmtm -66.35 -33.04 74.82 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.235 -0.439 . . . . 62.22 110.887 179.846 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -55.45 -41.12 72.45 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.199 -0.455 . . . . 74.0 111.171 179.842 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 58' ' ' ILE . . . . . . . . . . . . . 63.6 mt -56.24 -60.02 2.27 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.207 -0.451 . . . . 73.41 111.15 179.953 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 59' ' ' GLN . . . . . . . . . . . . . 47.7 mt-30 -56.5 -27.29 56.83 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.158 -0.474 . . . . 72.12 110.927 179.921 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER . . . . . 0 C--N 1.329 -0.307 0 CA-C-N 116.195 -0.457 . . . . 70.44 110.944 -179.97 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 1' ' ' LEU . . . . . . . . . . . . . 10.7 mt . . . . . 0 C--O 1.231 0.101 0 CA-C-O 120.84 0.353 . . . . 75.52 110.866 . . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' A' A ' 2' ' ' VAL . . . . . . . . . . . . . 51.3 t -63.05 -48.97 85.37 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.224 -0.443 . . . . 72.45 111.136 179.857 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . -64.01 -29.96 71.07 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.109 -0.496 . . . . 65.03 111.113 179.856 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 4' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER -74.13 -49.34 24.23 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.242 -0.435 . . . . 74.55 110.919 -179.852 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . 161.79 -25.45 0.24 Allowed Glycine 0 N--CA 1.451 -0.307 0 C-N-CA 120.71 -0.757 . . . . 61.32 112.477 179.969 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 33.6 mt -56.94 136.88 19.55 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-O 120.843 0.354 . . . . 74.34 111.08 -179.906 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -51.61 134.33 29.84 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.138 -0.483 . . . . 71.53 111.079 179.804 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 39.4 tt0 -67.83 -55.09 14.28 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.216 -0.447 . . . . 72.22 110.929 -179.957 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -52.19 -42.67 55.92 Favored Glycine 0 N--CA 1.451 -0.35 0 C-N-CA 120.708 -0.758 . . . . 74.14 112.481 -179.944 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 95.7 m -75.71 -40.43 55.73 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 120.777 0.323 . . . . 72.44 111.141 -179.879 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -51.37 -30.97 20.66 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.222 -0.445 . . . . 72.34 111.117 179.841 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 14.2 tt0 -58.4 -57.08 14.48 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.209 -0.45 . . . . 72.1 110.896 -179.943 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 18.6 ptmt -68.42 -33.87 74.99 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.151 -0.477 . . . . 74.53 110.886 179.981 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 91.7 t -57.39 -35.01 47.81 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.26 -0.427 . . . . 72.44 111.103 179.875 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 97.7 t -55.36 -48.12 77.22 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.137 -0.483 . . . . 75.13 111.119 179.95 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 18.1 t -53.01 -32.96 49.5 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.166 -0.47 . . . . 75.14 110.846 -179.858 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 1.8 mp -71.36 -33.67 69.77 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.196 -0.456 . . . . 75.52 110.901 -179.983 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 18' ' ' ILE . . . . . . . . . . . . . 28.6 mt -65.22 -49.56 78.37 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.361 0 CA-C-N 116.206 -0.452 . . . . 73.23 111.106 179.843 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 3.2 m120 -57.71 -24.48 57.1 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.201 -0.454 . . . . 61.22 110.87 179.933 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -64.95 -20.08 66.28 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.162 -0.472 . . . . 65.41 111.079 179.892 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . 96.82 12.37 50.38 Favored Glycine 0 N--CA 1.451 -0.301 0 C-N-CA 120.716 -0.754 . . . . 74.23 112.442 -179.997 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 4.2 mm? -74.91 140.25 43.65 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-O 120.917 0.389 . . . . 74.33 110.919 -179.925 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 39.9 p -82.73 160.39 22.35 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.202 -0.453 . . . . 62.22 111.152 179.93 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 11.8 p -51.42 -30.52 10.81 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.196 -0.456 . . . . 74.34 111.132 179.938 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . -53.07 -43.95 62.58 Favored Glycine 0 N--CA 1.451 -0.338 0 C-N-CA 120.744 -0.741 . . . . 63.41 112.471 179.959 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 1.1 t -69.89 -34.83 74.06 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.809 0.338 . . . . 74.24 110.852 -179.702 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 35.3 mm -60.38 -39.1 79.96 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.161 -0.472 . . . . 74.14 111.154 179.905 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 28' ' ' ILE . . . . . . . . . . . . . 60.3 mt -60.43 -45.5 96.68 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.179 -0.464 . . . . 73.44 111.104 179.877 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 14.3 t -63.43 -31.41 72.56 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.204 -0.453 . . . . 73.04 110.896 -179.912 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 30' ' ' ILE . . . . . . . . . . . . . 28.4 mt -70.02 -61.13 1.81 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.13 -0.486 . . . . 73.25 111.099 179.937 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 61.9 mt -60.79 -42.33 97.37 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.181 -0.463 . . . . 74.11 110.935 179.901 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . 51.48 30.97 27.83 Favored Glycine 0 N--CA 1.451 -0.356 0 C-N-CA 120.804 -0.713 . . . . 71.33 112.476 179.943 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -128.15 70.85 0.5 Allowed Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 120.773 -0.727 . . . . 74.31 112.537 -179.966 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 34' ' ' VAL . . . . . . . . . . . . . 8.5 t 49.41 50.97 0.4 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-O 120.935 0.397 . . . . 65.03 111.132 -179.991 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -87.49 8.65 23.93 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.191 -0.459 . . . . 75.11 111.192 -179.969 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 36' ' ' VAL . . . . . . . . . . . . . 55.3 t -55.83 -24.78 17.54 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.169 -0.468 . . . . 72.21 111.104 179.932 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . -90.75 -21.35 37.02 Favored Glycine 0 N--CA 1.452 -0.243 0 C-N-CA 120.701 -0.762 . . . . 74.34 112.505 179.98 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 4.3 mm? -66.2 -17.97 65.06 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.805 0.336 . . . . 74.22 110.911 -179.938 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 82.7 p -52.61 -29.17 24.51 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.18 -0.463 . . . . 72.24 110.831 -179.883 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . -99.0 -12.21 43.68 Favored Glycine 0 N--CA 1.452 -0.291 0 C-N-CA 120.745 -0.741 . . . . 72.33 112.433 -179.956 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 41' ' ' VAL . . . . . . . . . . . . . 93.7 t -93.26 -59.08 3.23 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-O 120.839 0.352 . . . . 72.14 111.105 -179.959 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 42' ' ' PHE . . . . . . . . . . . . . 2.6 t80 -51.87 -31.3 27.39 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.178 -0.465 . . . . 71.21 110.877 -179.967 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -61.7 -53.36 57.12 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.16 -0.473 . . . . 70.14 111.126 -179.914 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -58.94 -34.93 72.3 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.227 -0.442 . . . . 61.43 111.104 179.883 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 87.4 t -64.76 -46.26 92.66 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.232 -0.44 . . . . 73.22 111.108 179.986 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 7.0 mtpm? -54.97 -45.2 74.95 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.177 -0.465 . . . . 74.35 110.916 179.936 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -63.43 -36.47 83.85 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.209 -0.45 . . . . 73.54 111.073 179.861 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -58.39 -32.28 68.46 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.224 -0.444 . . . . 74.0 111.12 179.937 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 49' ' ' ILE . . . . . . . . . . . . . 78.8 mt -56.15 -55.78 16.7 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.194 -0.457 . . . . 73.42 111.173 179.926 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -64.36 -22.73 67.05 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.119 -0.491 . . . . 74.41 111.053 179.851 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER -76.84 -47.97 19.81 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.223 -0.444 . . . . 74.33 110.95 179.936 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 52' ' ' GLN . . . . . . . . . . . . . 23.2 mm-40 -122.13 -67.53 0.95 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.169 -0.469 . . . . 75.13 110.902 179.98 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . 170.71 156.32 11.31 Favored Glycine 0 N--CA 1.451 -0.307 0 C-N-CA 120.748 -0.739 . . . . 72.04 112.466 -179.976 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 54' ' ' ILE . . . . . . . . . . . . . 16.7 pt -51.7 -35.35 17.36 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-O 120.94 0.4 . . . . 74.32 111.165 -179.994 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -56.56 -42.95 79.46 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.163 -0.471 . . . . 72.34 110.873 179.863 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -66.31 -35.36 80.17 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.226 -0.443 . . . . 72.15 110.931 179.846 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -56.33 -33.93 66.08 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.219 -0.446 . . . . 72.0 111.087 179.86 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 58' ' ' ILE . . . . . . . . . . . . . 78.7 mt -56.39 -58.34 5.69 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.219 -0.446 . . . . 73.2 111.088 179.987 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 59' ' ' GLN . . . . . . . . . . . . . 67.6 mt-30 -56.1 -29.72 61.02 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.166 -0.47 . . . . 73.12 110.912 179.962 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER . . . . . 0 C--N 1.329 -0.318 0 CA-C-N 116.212 -0.449 . . . . 75.11 110.931 179.981 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 1' ' ' LEU . . . . . . . . . . . . . 40.6 mt . . . . . 0 C--O 1.231 0.089 0 CA-C-O 120.893 0.378 . . . . 75.32 110.9 . . . . . . . . . 0 0 . 1 . 016 nuclear orig full ' A' A ' 2' ' ' VAL . . . . . . . . . . . . . 48.5 t -62.99 -49.19 84.54 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.252 0 CA-C-N 116.158 -0.474 . . . . 72.23 111.146 179.867 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . -64.16 -29.17 70.3 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.185 -0.462 . . . . 70.22 111.062 179.892 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 4' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER -73.97 -50.99 17.43 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.28 -0.418 . . . . 75.21 110.87 -179.809 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . 163.77 -27.11 0.21 Allowed Glycine 0 N--CA 1.451 -0.351 0 C-N-CA 120.777 -0.725 . . . . 75.52 112.525 179.998 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 50.8 mm -56.81 135.69 20.35 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-O 120.818 0.342 . . . . 73.41 111.134 -179.982 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -51.62 135.46 28.5 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.172 -0.467 . . . . 54.44 111.12 179.801 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 6.3 pt20 -68.01 -42.78 80.18 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.238 -0.437 . . . . 73.33 110.912 -179.909 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -58.01 -47.65 87.72 Favored Glycine 0 N--CA 1.451 -0.336 0 C-N-CA 120.731 -0.747 . . . . 71.13 112.48 -179.988 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 94.0 m -76.82 -32.93 57.94 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.768 0.318 . . . . 72.24 111.138 -179.878 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -51.66 -48.16 63.53 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.22 -0.445 . . . . 74.13 111.151 179.844 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 18.3 mt-10 -51.97 -48.64 64.25 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.233 -0.44 . . . . 73.22 110.871 -179.961 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 61.1 mttm -68.43 -39.35 81.58 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.197 -0.456 . . . . 75.44 110.889 179.97 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 99.6 t -61.24 -34.98 62.98 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.188 -0.46 . . . . 74.25 111.165 179.847 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 98.9 t -55.48 -38.78 50.56 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.158 -0.474 . . . . 73.13 111.077 179.948 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 3.9 t -61.13 -33.85 74.05 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.187 -0.46 . . . . 72.04 110.865 -179.836 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 4.4 mp -71.3 -37.95 71.8 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.129 -0.487 . . . . 74.34 110.912 179.987 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 18' ' ' ILE . . . . . . . . . . . . . 34.3 mt -65.03 -50.04 76.65 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.199 -0.455 . . . . 73.42 111.152 179.831 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 57.4 m-80 -58.84 -26.73 64.46 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.128 -0.487 . . . . 74.31 110.848 179.969 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -64.96 -20.04 66.28 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.168 -0.469 . . . . 73.31 111.112 179.866 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . 94.15 17.75 39.15 Favored Glycine 0 N--CA 1.451 -0.309 0 C-N-CA 120.705 -0.76 . . . . 74.31 112.534 -179.93 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 4.1 mm? -74.85 141.17 44.26 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.853 0.358 . . . . 75.13 110.922 -179.919 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 19.1 p -76.81 157.68 31.38 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.218 -0.447 . . . . 72.34 111.135 179.932 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 18.3 m -51.37 -30.26 10.25 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.203 -0.453 . . . . 71.14 111.175 179.866 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . -53.28 -52.18 42.28 Favored Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 120.788 -0.72 . . . . 70.45 112.489 179.939 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 30.0 t -63.82 -26.75 68.76 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.873 0.368 . . . . 72.02 110.911 -179.754 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 25.4 mm -67.82 -47.39 79.66 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 116.093 -0.503 . . . . 75.23 111.149 179.916 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 28' ' ' ILE . . . . . . . . . . . . . 40.2 mm -51.85 -32.99 15.25 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.172 -0.467 . . . . 72.41 111.13 179.827 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 23.1 t -60.35 -50.64 72.8 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.21 -0.45 . . . . 74.41 110.872 -179.921 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 30' ' ' ILE . . . . . . . . . . . . . 39.2 mm -77.27 -25.82 15.35 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.109 -0.496 . . . . 72.32 111.081 179.979 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 47.3 mt -63.77 -24.42 67.76 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.225 -0.443 . . . . 75.25 110.956 179.893 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . 128.16 -38.14 2.14 Favored Glycine 0 N--CA 1.451 -0.339 0 C-N-CA 120.704 -0.76 . . . . 61.12 112.479 179.887 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . 130.31 146.43 5.95 Favored Glycine 0 N--CA 1.452 -0.292 0 C-N-CA 120.723 -0.751 . . . . 52.41 112.475 -179.921 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 34' ' ' VAL . . . . . . . . . . . . . 3.2 t 51.14 28.16 0.14 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-O 120.922 0.391 . . . . 75.32 111.116 -179.962 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 2.6 p -88.68 10.29 21.23 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.169 -0.469 . . . . 75.31 111.122 -179.957 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 36' ' ' VAL . . . . . . . . . . . . . 14.9 p -51.1 -29.23 7.85 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.195 -0.457 . . . . 74.42 111.126 179.93 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . -56.23 -64.64 4.21 Favored Glycine 0 N--CA 1.451 -0.325 0 C-N-CA 120.742 -0.742 . . . . 55.02 112.5 179.984 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 1.8 mt -66.48 -28.11 68.32 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.834 0.35 . . . . 72.14 110.901 -179.911 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -60.58 -19.97 59.15 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.156 -0.475 . . . . 64.21 110.863 -179.93 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . -51.96 -27.64 22.27 Favored Glycine 0 N--CA 1.452 -0.275 0 C-N-CA 120.713 -0.756 . . . . 74.43 112.471 -179.97 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 41' ' ' VAL . . . . . . . . . . . . . 19.1 m -94.79 -21.99 5.57 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-O 120.823 0.344 . . . . 73.41 111.116 -179.962 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 42' ' ' PHE . . . . . . . . . . . . . 5.3 t80 -51.67 -42.37 62.09 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.15 -0.477 . . . . 75.33 110.892 -179.964 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -62.21 -46.33 89.39 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.149 -0.478 . . . . 75.52 111.153 -179.903 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -66.55 -34.04 77.01 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.196 -0.456 . . . . 55.32 111.061 179.888 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 98.9 t -63.55 -41.43 92.64 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.236 -0.438 . . . . 75.33 111.1 179.998 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 1.7 tmmm? -54.83 -39.7 68.83 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.181 -0.463 . . . . 74.52 110.915 179.921 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -62.83 -32.81 74.09 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.204 -0.453 . . . . 74.31 111.134 179.8 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -57.24 -36.37 70.86 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.175 -0.466 . . . . 61.41 111.091 179.965 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 49' ' ' ILE . . . . . . . . . . . . . 61.5 mt -56.37 -55.89 16.51 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.231 -0.44 . . . . 75.42 111.149 179.995 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -63.84 -22.44 66.92 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.184 -0.462 . . . . 73.14 111.125 179.79 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 15.1 mmmt -76.92 -61.05 2.11 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.199 -0.455 . . . . 73.32 110.907 179.956 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 52' ' ' GLN . . . . . . . . . . . . . 29.7 mm100 -110.3 -58.55 2.06 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.197 -0.456 . . . . 74.33 110.906 179.951 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . 161.54 159.04 9.79 Favored Glycine 0 N--CA 1.451 -0.342 0 C-N-CA 120.76 -0.733 . . . . 75.34 112.52 -179.97 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 54' ' ' ILE . . . . . . . . . . . . . 23.4 pt -51.6 -30.23 11.02 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-O 120.916 0.389 . . . . 74.43 111.165 -179.973 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 6.2 ptpp? -54.17 -44.63 71.65 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.136 -0.484 . . . . 73.2 110.854 179.846 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 11.5 mmmt -64.77 -33.21 75.44 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.254 -0.43 . . . . 74.11 110.921 179.9 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -64.53 -32.74 74.5 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.208 -0.451 . . . . 73.25 111.104 179.805 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 58' ' ' ILE . . . . . . . . . . . . . 70.5 mt -63.54 -60.67 2.39 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.208 -0.451 . . . . 74.3 111.148 179.974 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 59' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -60.51 -26.43 66.85 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.181 -0.463 . . . . 71.24 110.87 179.986 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER . . . . . 0 C--N 1.328 -0.335 0 CA-C-N 116.184 -0.462 . . . . 73.3 110.971 179.992 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 1' ' ' LEU . . . . . . . . . . . . . 6.3 mp . . . . . 0 C--O 1.231 0.091 0 CA-C-O 120.892 0.377 . . . . 72.32 110.923 . . . . . . . . . 0 0 . 1 . 017 nuclear orig full ' A' A ' 2' ' ' VAL . . . . . . . . . . . . . 75.8 t -61.6 -50.7 79.21 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.153 -0.476 . . . . 73.44 111.117 179.864 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . -64.46 -29.4 70.44 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.157 -0.474 . . . . 73.51 111.069 179.94 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 4' ' ' TYR . . . . . . . . . . . . . 62.2 t80 -74.14 -51.06 16.77 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.233 -0.44 . . . . 75.54 110.948 -179.877 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . 164.21 -27.04 0.2 Allowed Glycine 0 N--CA 1.451 -0.355 0 C-N-CA 120.743 -0.741 . . . . 73.01 112.485 179.963 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 50.8 mm -56.95 132.39 21.18 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-O 120.859 0.361 . . . . 71.42 111.114 -179.954 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -51.66 145.97 8.45 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.202 -0.454 . . . . 75.31 111.093 179.817 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 10.5 mt-30 -68.01 -56.92 7.17 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.21 -0.45 . . . . 55.43 110.89 -179.911 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -54.72 -41.53 75.13 Favored Glycine 0 N--CA 1.452 -0.291 0 C-N-CA 120.753 -0.737 . . . . 54.32 112.486 -179.957 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 18.0 m -75.39 -32.83 60.91 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-O 120.792 0.33 . . . . 55.4 111.144 -179.84 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -52.22 -51.93 55.39 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.202 -0.453 . . . . 73.4 111.109 179.878 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 20.0 tt0 -52.76 -49.44 65.51 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.244 -0.434 . . . . 74.51 110.862 -179.91 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 14.3 ttmm -62.29 -45.8 91.61 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.142 -0.481 . . . . 74.35 110.948 179.935 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 92.0 t -57.0 -35.63 48.12 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.227 -0.442 . . . . 75.2 111.141 179.858 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 81.4 t -55.77 -45.45 79.45 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.184 -0.462 . . . . 74.33 111.149 179.851 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 23.2 t -57.08 -35.6 69.58 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.216 -0.447 . . . . 73.34 110.883 -179.855 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 3.2 mp -65.14 -34.97 79.66 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.128 -0.487 . . . . 74.32 110.921 179.956 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 18' ' ' ILE . . . . . . . . . . . . . 17.5 mt -65.76 -50.05 73.38 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.198 -0.455 . . . . 73.11 111.115 179.882 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 3.2 t-20 -59.92 -18.87 48.29 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.153 -0.476 . . . . 72.43 110.888 179.95 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -64.19 -20.08 65.77 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.153 -0.476 . . . . 74.13 111.103 179.87 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . 80.17 85.9 0.61 Allowed Glycine 0 N--CA 1.451 -0.31 0 C-N-CA 120.737 -0.744 . . . . 73.12 112.479 -179.937 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 4.1 pp -162.22 166.77 25.05 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.857 0.361 . . . . 74.22 110.916 -179.925 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER -76.65 144.42 39.47 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.195 -0.457 . . . . 52.01 111.162 179.907 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 35.4 t -51.49 -29.92 10.23 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.212 -0.449 . . . . 72.11 111.125 179.915 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . -53.0 -34.2 45.86 Favored Glycine 0 N--CA 1.451 -0.303 0 C-N-CA 120.749 -0.739 . . . . 73.52 112.507 179.985 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 1.2 t -63.32 -26.91 68.98 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.895 0.379 . . . . 75.31 110.875 -179.742 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 28.9 mm -66.31 -45.52 89.47 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.112 -0.495 . . . . 73.23 111.155 179.951 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 28' ' ' ILE . . . . . . . . . . . . . 30.8 mt -60.42 -38.65 78.58 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.164 -0.471 . . . . 75.24 111.132 179.845 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 5.0 t -55.83 -33.58 64.61 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.128 -0.487 . . . . 70.41 110.841 -179.886 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 30' ' ' ILE . . . . . . . . . . . . . 22.0 mt -77.39 -60.99 1.86 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.136 -0.484 . . . . 65.22 111.124 179.969 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 3.2 mt -51.87 -42.12 62.4 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.223 -0.444 . . . . 73.42 110.922 179.865 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . 51.99 57.84 11.96 Favored Glycine 0 N--CA 1.451 -0.303 0 C-N-CA 120.714 -0.755 . . . . 74.43 112.474 179.93 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -159.69 54.9 0.35 Allowed Glycine 0 N--CA 1.451 -0.32 0 C-N-CA 120.689 -0.767 . . . . 65.54 112.47 -179.924 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 34' ' ' VAL . . . . . . . . . . . . . 10.1 t 49.52 52.56 0.39 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-O 120.899 0.38 . . . . 74.34 111.136 -179.978 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -87.53 8.65 24.04 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.186 -0.461 . . . . 72.51 111.141 -179.945 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 36' ' ' VAL . . . . . . . . . . . . . 6.6 m -55.41 -24.98 16.63 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.204 -0.453 . . . . 71.13 111.119 179.923 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . -75.45 -44.64 21.05 Favored Glycine 0 N--CA 1.452 -0.275 0 C-N-CA 120.734 -0.746 . . . . 71.45 112.457 179.995 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 8.6 mp -66.21 -22.08 66.33 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-O 120.783 0.325 . . . . 74.53 110.89 -179.9 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -54.79 -28.76 51.52 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.19 -0.459 . . . . 73.54 110.81 -179.886 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . -78.01 -21.92 69.87 Favored Glycine 0 N--CA 1.451 -0.366 0 C-N-CA 120.765 -0.731 . . . . 73.03 112.495 -179.975 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 41' ' ' VAL . . . . . . . . . . . . . 87.6 t -93.38 -26.04 4.77 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-O 120.822 0.344 . . . . 75.33 111.157 -179.988 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 42' ' ' PHE . . . . . . . . . . . . . 2.9 t80 -58.1 -50.88 71.96 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.174 -0.466 . . . . 75.53 110.851 -179.965 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -57.3 -44.77 84.38 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.141 -0.481 . . . . 72.32 111.172 -179.9 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -58.82 -40.41 84.09 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.163 -0.472 . . . . 52.14 111.093 179.863 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 87.7 t -70.79 -44.05 76.59 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.185 -0.461 . . . . 63.23 111.121 -179.993 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -52.66 -51.58 59.5 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.131 -0.486 . . . . 74.2 110.904 179.906 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -55.67 -37.26 68.05 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.189 -0.46 . . . . 75.4 111.112 179.841 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -57.54 -29.08 64.09 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.181 -0.463 . . . . 73.14 111.092 179.921 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 49' ' ' ILE . . . . . . . . . . . . . 68.6 mt -56.44 -55.0 21.52 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.2 -0.455 . . . . 73.22 111.121 -179.964 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -65.36 -23.65 67.04 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.219 -0.446 . . . . 73.32 111.088 179.814 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER -76.94 -41.01 45.05 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.206 -0.452 . . . . 75.12 110.855 179.992 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 52' ' ' GLN . . . . . . . . . . . . . 22.3 mm100 -123.7 -69.5 0.81 Allowed 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.241 -0.436 . . . . 73.2 110.922 180.0 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . 167.75 156.62 10.19 Favored Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 120.699 -0.762 . . . . 64.41 112.453 -179.969 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 54' ' ' ILE . . . . . . . . . . . . . 17.0 pt -51.7 -35.26 17.25 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-O 120.924 0.392 . . . . 70.42 111.151 179.985 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 21.8 pttm -56.94 -44.93 83.0 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.17 -0.468 . . . . 74.12 110.882 179.847 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 16.7 tppt? -66.41 -33.68 76.25 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.247 -0.433 . . . . 63.24 110.911 179.872 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -55.43 -36.13 66.15 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.221 -0.445 . . . . 70.23 111.141 179.794 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 58' ' ' ILE . . . . . . . . . . . . . 74.5 mt -59.95 -53.29 50.55 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.205 -0.452 . . . . 73.22 111.189 179.975 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 59' ' ' GLN . . . . . . . . . . . . . 31.5 mt-30 -55.23 -32.82 62.59 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.149 -0.478 . . . . 73.4 110.96 179.883 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 C--N 1.328 -0.368 0 CA-C-N 116.211 -0.449 . . . . 74.32 110.936 179.983 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 1' ' ' LEU . . . . . . . . . . . . . 6.9 mp . . . . . 0 C--O 1.231 0.114 0 CA-C-O 120.892 0.377 . . . . 73.11 110.947 . . . . . . . . . 0 0 . 1 . 018 nuclear orig full ' A' A ' 2' ' ' VAL . . . . . . . . . . . . . 58.4 t -61.82 -50.94 78.16 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.21 -0.45 . . . . 74.33 111.086 179.892 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . -64.57 -28.99 70.01 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.215 -0.448 . . . . 52.05 111.081 179.871 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 4' ' ' TYR . . . . . . . . . . . . . 62.9 t80 -74.11 -51.07 16.8 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.227 -0.442 . . . . 74.53 110.933 -179.817 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . 164.8 -27.55 0.2 Allowed Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 120.729 -0.748 . . . . 73.32 112.46 179.951 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 49.8 mm -56.86 126.67 14.76 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-O 120.84 0.352 . . . . 74.15 111.116 -179.916 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -51.47 132.97 30.16 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.14 -0.482 . . . . 71.51 111.088 179.833 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 15.5 pt20 -63.35 -43.08 98.72 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.239 -0.437 . . . . 72.21 110.874 -179.923 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -54.17 -48.76 62.29 Favored Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 120.731 -0.747 . . . . 63.33 112.521 -179.991 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 95.4 m -77.05 -31.19 56.01 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-O 120.828 0.347 . . . . 72.31 111.14 -179.855 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -51.43 -30.92 21.12 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.211 -0.45 . . . . 70.4 111.073 179.872 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 49.2 mt-10 -58.45 -57.07 14.54 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.222 -0.444 . . . . 73.33 110.917 -179.93 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 9.5 ptmm? -68.39 -33.93 75.13 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.122 -0.49 . . . . 75.22 110.875 179.975 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 89.6 t -56.92 -41.1 75.98 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.222 -0.445 . . . . 75.34 111.115 179.888 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 94.6 t -56.65 -40.13 67.5 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.25 0 CA-C-N 116.16 -0.473 . . . . 75.53 111.155 179.924 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 32.9 t -60.14 -37.51 80.31 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.185 -0.461 . . . . 75.12 110.852 -179.817 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 4.2 mp -64.84 -38.01 89.55 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.11 -0.495 . . . . 73.15 110.906 -179.997 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 18' ' ' ILE . . . . . . . . . . . . . 31.8 mt -65.21 -50.11 75.48 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.347 0 CA-C-N 116.194 -0.457 . . . . 74.03 111.112 179.831 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 13.6 t-20 -58.79 -26.3 63.95 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.166 -0.47 . . . . 64.33 110.914 179.957 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -65.01 -20.09 66.33 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.171 -0.468 . . . . 64.42 111.075 179.841 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . 94.77 18.57 34.45 Favored Glycine 0 N--CA 1.45 -0.377 0 C-N-CA 120.749 -0.739 . . . . 74.23 112.524 -179.933 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 25.9 mt -70.84 156.7 39.24 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.893 0.377 . . . . 72.53 110.888 -179.896 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 26.7 p -84.34 147.52 27.14 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.196 -0.456 . . . . 74.45 111.111 179.945 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 6.4 p -51.34 -38.48 20.0 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.326 0 CA-C-N 116.204 -0.453 . . . . 74.21 111.136 179.888 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . -65.8 -33.92 87.24 Favored Glycine 0 N--CA 1.452 -0.298 0 C-N-CA 120.713 -0.756 . . . . 55.31 112.484 179.951 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 44.8 t -64.68 -26.89 68.57 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.819 0.342 . . . . 70.51 110.832 -179.722 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 42.2 mm -60.18 -46.69 94.26 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.169 -0.469 . . . . 62.24 111.147 179.963 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 28' ' ' ILE . . . . . . . . . . . . . 70.7 mt -60.46 -40.61 84.77 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.19 -0.459 . . . . 73.33 111.182 179.844 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 3.0 m -63.5 -32.19 73.57 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.155 -0.475 . . . . 64.21 110.843 -179.943 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 30' ' ' ILE . . . . . . . . . . . . . 13.2 mt -70.29 -60.98 1.88 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.346 0 CA-C-N 116.159 -0.473 . . . . 74.33 111.155 179.964 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 7.0 mt -60.84 -42.22 97.37 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.172 -0.467 . . . . 74.5 110.967 179.831 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . 51.52 34.34 34.77 Favored Glycine 0 N--CA 1.451 -0.345 0 C-N-CA 120.778 -0.725 . . . . 71.2 112.488 179.904 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -127.83 60.63 0.66 Allowed Glycine 0 N--CA 1.452 -0.292 0 C-N-CA 120.728 -0.749 . . . . 75.22 112.484 -179.902 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 34' ' ' VAL . . . . . . . . . . . . . 12.4 t 49.41 55.98 0.35 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-O 120.876 0.37 . . . . 73.24 111.116 -179.953 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -86.92 7.36 27.7 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.179 -0.464 . . . . 71.45 111.183 179.978 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 36' ' ' VAL . . . . . . . . . . . . . 4.7 m -55.1 100.45 0.05 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.205 -0.452 . . . . 74.22 111.121 179.898 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 139.59 -42.75 1.2 Allowed Glycine 0 N--CA 1.451 -0.316 0 C-N-CA 120.774 -0.727 . . . . 73.33 112.506 179.989 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 4.5 mm? -66.24 -17.49 64.77 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-O 120.784 0.326 . . . . 73.34 110.893 -179.923 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 3.0 p -69.96 -38.0 75.98 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.177 -0.465 . . . . 63.53 110.825 -179.915 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . -67.5 -19.1 70.52 Favored Glycine 0 N--CA 1.45 -0.372 0 C-N-CA 120.773 -0.727 . . . . 73.1 112.509 -179.95 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 41' ' ' VAL . . . . . . . . . . . . . 6.3 p -105.06 -24.44 4.03 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-O 120.864 0.364 . . . . 73.12 111.12 -179.975 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 42' ' ' PHE . . . . . . . . . . . . . 3.3 t80 -52.42 -51.09 60.98 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.138 -0.483 . . . . 73.22 110.915 -179.987 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -54.08 -43.12 70.05 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.191 -0.459 . . . . 73.0 111.115 -179.952 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -60.36 -43.04 96.9 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.232 -0.44 . . . . 75.34 111.127 179.89 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 75.7 t -70.9 -40.67 76.74 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.243 -0.435 . . . . 60.12 111.097 179.968 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 34.2 tttp -54.06 -53.02 58.89 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.188 -0.46 . . . . 74.43 110.921 179.912 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -60.88 -30.11 69.96 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.188 -0.46 . . . . 70.51 111.106 179.847 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -58.1 -28.33 64.52 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.213 -0.449 . . . . 74.01 111.117 179.928 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 49' ' ' ILE . . . . . . . . . . . . . 62.8 mt -56.4 -55.88 16.66 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.363 0 CA-C-N 116.264 -0.425 . . . . 72.54 111.105 179.988 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -65.25 -24.27 67.28 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.122 -0.49 . . . . 63.42 111.089 179.793 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 99.5 mttt -76.88 -35.58 57.32 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.227 -0.442 . . . . 73.31 110.919 179.973 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 52' ' ' GLN . . . . . . . . . . . . . 37.5 mt-30 -130.65 -71.39 0.59 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.237 -0.438 . . . . 71.15 110.911 -179.968 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . 170.76 155.92 10.94 Favored Glycine 0 N--CA 1.451 -0.342 0 C-N-CA 120.7 -0.762 . . . . 63.4 112.467 -179.99 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 54' ' ' ILE . . . . . . . . . . . . . 53.4 mt -53.93 -41.95 51.52 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-O 120.911 0.386 . . . . 73.23 111.111 -179.977 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 8.9 ptpt -52.75 -45.41 67.03 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.164 -0.471 . . . . 71.12 110.915 179.845 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 18.8 mttm -66.19 -34.07 77.21 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.168 -0.469 . . . . 75.54 110.904 179.881 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -55.92 -37.43 68.91 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.24 -0.436 . . . . 72.02 111.077 179.841 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 58' ' ' ILE . . . . . . . . . . . . . 67.4 mt -58.43 -50.62 78.09 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.254 -0.43 . . . . 74.54 111.166 179.958 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 59' ' ' GLN . . . . . . . . . . . . . 57.7 mt-30 -56.61 -30.78 63.63 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.207 -0.451 . . . . 75.04 110.912 179.926 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 C--N 1.329 -0.318 0 CA-C-N 116.208 -0.451 . . . . 75.55 110.916 179.997 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 1' ' ' LEU . . . . . . . . . . . . . 6.4 mt . . . . . 0 C--O 1.231 0.081 0 CA-C-O 120.891 0.377 . . . . 73.35 110.932 . . . . . . . . . 0 0 . 1 . 019 nuclear orig full ' A' A ' 2' ' ' VAL . . . . . . . . . . . . . 82.4 t -63.31 -49.3 83.51 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.266 0 CA-C-N 116.187 -0.46 . . . . 75.32 111.135 179.825 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . -64.23 -29.78 70.86 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.165 -0.471 . . . . 62.44 111.113 179.915 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 4' ' ' TYR . . . . . . . . . . . . . 0.5 OUTLIER -73.86 -48.21 32.78 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.197 -0.456 . . . . 74.1 110.929 -179.893 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . 160.02 -27.65 0.34 Allowed Glycine 0 N--CA 1.452 -0.299 0 C-N-CA 120.694 -0.765 . . . . 74.13 112.459 179.974 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 50.4 mm -57.24 132.51 21.64 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-O 120.874 0.369 . . . . 63.54 111.127 -179.955 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -51.61 139.71 20.09 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.181 -0.463 . . . . 65.13 111.09 179.825 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 6.1 pt20 -67.87 -42.63 81.0 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.248 -0.433 . . . . 72.03 110.91 -179.955 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -56.38 -51.06 58.61 Favored Glycine 0 N--CA 1.452 -0.27 0 C-N-CA 120.735 -0.745 . . . . 51.5 112.485 -179.984 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 93.5 m -74.6 -31.68 62.11 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.804 0.335 . . . . 61.41 111.141 -179.841 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -51.76 -47.2 64.22 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.203 -0.453 . . . . 71.31 111.131 179.841 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 34.0 mt-10 -54.37 -49.98 68.57 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.21 -0.45 . . . . 74.53 110.84 -179.88 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 8.6 ttmm -64.9 -43.61 92.27 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.126 -0.488 . . . . 72.03 110.897 179.971 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 91.7 t -56.29 -35.06 41.64 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.226 -0.443 . . . . 73.43 111.117 179.874 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 95.4 t -55.57 -31.04 27.6 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.171 -0.468 . . . . 74.31 111.132 179.944 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 2.0 t -59.47 -42.09 91.25 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.167 -0.469 . . . . 74.25 110.885 -179.877 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 3.8 mm? -71.29 -39.74 71.32 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.112 -0.494 . . . . 72.25 110.91 -179.993 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 18' ' ' ILE . . . . . . . . . . . . . 35.5 mt -65.07 -48.38 84.1 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.201 -0.454 . . . . 73.53 111.121 179.87 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 57.9 t30 -58.68 -27.91 65.26 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.163 -0.472 . . . . 70.22 110.877 179.929 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -64.98 -20.12 66.33 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.21 -0.45 . . . . 74.14 111.062 179.881 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . 96.01 13.49 49.34 Favored Glycine 0 N--CA 1.45 -0.373 0 C-N-CA 120.743 -0.742 . . . . 54.22 112.498 -179.925 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 4.0 mm? -74.9 137.5 41.77 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-O 120.843 0.354 . . . . 71.22 110.938 -179.926 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 53.6 p -76.85 167.92 20.99 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.211 -0.45 . . . . 74.05 111.141 179.966 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 10.7 p -51.35 -30.16 10.07 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.239 -0.437 . . . . 73.53 111.135 179.921 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . -53.82 -52.05 45.14 Favored Glycine 0 N--CA 1.451 -0.337 0 C-N-CA 120.767 -0.73 . . . . 72.3 112.485 179.967 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 2.1 t -65.58 -26.93 68.08 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.898 0.38 . . . . 73.52 110.87 -179.732 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 26.2 mm -67.39 -50.51 61.59 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.135 -0.484 . . . . 74.25 111.147 179.93 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 28' ' ' ILE . . . . . . . . . . . . . 50.4 mm -53.59 -37.6 31.51 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.174 -0.466 . . . . 74.44 111.126 179.87 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 71.1 m -63.41 -36.54 84.07 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.19 -0.459 . . . . 74.12 110.917 -179.947 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 30' ' ' ILE . . . . . . . . . . . . . 43.7 mm -77.61 -36.6 23.26 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.1 -0.5 . . . . 75.01 111.102 179.97 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 3.8 mm? -51.97 -42.29 62.8 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.165 -0.471 . . . . 73.02 110.902 179.898 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . 51.67 58.04 11.05 Favored Glycine 0 N--CA 1.451 -0.333 0 C-N-CA 120.724 -0.75 . . . . 75.42 112.516 179.906 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -179.39 -159.15 22.94 Favored Glycine 0 N--CA 1.451 -0.352 0 C-N-CA 120.747 -0.739 . . . . 50.35 112.499 -179.88 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 34' ' ' VAL . . . . . . . . . . . . . 12.5 t -78.43 56.25 0.09 OUTLIER 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-O 120.901 0.381 . . . . 75.24 111.134 179.953 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 5.0 t -89.0 10.3 22.03 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.187 -0.46 . . . . 74.21 111.133 179.999 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 36' ' ' VAL . . . . . . . . . . . . . 17.3 t -75.91 60.53 0.11 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.243 -0.435 . . . . 74.12 111.12 179.916 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 165.83 -36.74 0.26 Allowed Glycine 0 N--CA 1.452 -0.296 0 C-N-CA 120.733 -0.746 . . . . 63.22 112.526 179.97 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -66.67 -24.83 66.33 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.812 0.339 . . . . 71.22 110.905 -179.914 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -60.21 -20.01 56.83 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.187 -0.46 . . . . 73.0 110.866 -179.944 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . -51.77 -27.81 21.26 Favored Glycine 0 N--CA 1.45 -0.376 0 C-N-CA 120.761 -0.733 . . . . 64.14 112.519 -179.969 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 41' ' ' VAL . . . . . . . . . . . . . 18.9 m -94.16 -24.1 5.08 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-O 120.885 0.374 . . . . 75.03 111.161 -179.982 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 42' ' ' PHE . . . . . . . . . . . . . 2.4 t80 -56.27 -51.85 66.64 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.15 -0.477 . . . . 73.3 110.891 -179.995 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 17.2 m -54.0 -43.33 69.95 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.138 -0.483 . . . . 75.44 111.127 -179.929 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -66.62 -34.49 77.99 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.246 -0.434 . . . . 74.44 111.054 179.904 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 95.7 t -70.77 -52.18 30.42 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.241 -0.436 . . . . 73.3 111.106 -179.988 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 5.7 ptmm? -58.06 -36.08 72.29 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.186 -0.461 . . . . 72.34 110.882 179.953 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -63.45 -40.08 96.17 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.24 -0.436 . . . . 75.35 111.059 179.84 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -60.53 -27.18 67.44 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.202 -0.454 . . . . 71.54 111.087 179.973 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 49' ' ' ILE . . . . . . . . . . . . . 62.4 mt -56.44 -55.98 16.19 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.232 -0.44 . . . . 64.23 111.102 -179.993 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -61.93 -23.6 66.46 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.161 -0.472 . . . . 73.25 111.121 179.827 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 10.6 mtmt -76.98 -60.97 2.14 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.189 -0.46 . . . . 74.54 110.919 179.954 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 52' ' ' GLN . . . . . . . . . . . . . 2.6 mt-30 -104.89 -67.63 0.9 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.209 -0.451 . . . . 74.13 110.934 179.925 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . 169.71 157.35 11.97 Favored Glycine 0 N--CA 1.451 -0.341 0 C-N-CA 120.726 -0.749 . . . . 72.32 112.482 -179.986 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 54' ' ' ILE . . . . . . . . . . . . . 34.7 pt -51.63 -30.08 10.93 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-O 120.973 0.416 . . . . 74.4 111.185 179.986 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 4.4 ptpt -56.33 -42.78 78.24 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.133 -0.485 . . . . 75.15 110.917 179.845 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -66.2 -31.54 72.43 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.191 -0.459 . . . . 73.23 110.927 179.832 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -58.0 -37.15 73.75 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.268 -0.424 . . . . 72.44 111.121 179.796 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 58' ' ' ILE . . . . . . . . . . . . . 62.4 mt -56.73 -60.04 2.39 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.151 -0.477 . . . . 72.53 111.162 179.944 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 59' ' ' GLN . . . . . . . . . . . . . 9.8 pt20 -60.23 -27.58 67.32 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.16 -0.473 . . . . 71.43 110.931 179.954 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER . . . . . 0 C--N 1.328 -0.354 0 CA-C-N 116.189 -0.46 . . . . 75.01 110.886 -179.97 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 1' ' ' LEU . . . . . . . . . . . . . 43.0 mt . . . . . 0 C--O 1.231 0.117 0 CA-C-O 120.871 0.367 . . . . 74.24 110.886 . . . . . . . . . 0 0 . 1 . 020 nuclear orig full ' A' A ' 2' ' ' VAL . . . . . . . . . . . . . 95.3 t -62.98 -49.89 81.76 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.206 -0.452 . . . . 71.34 111.096 179.86 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . -64.19 -31.83 73.18 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.212 -0.449 . . . . 74.03 111.076 179.899 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 4' ' ' TYR . . . . . . . . . . . . . 1.6 m-85 -74.25 -51.1 16.35 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.255 -0.429 . . . . 74.1 110.943 -179.872 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . 161.37 56.1 0.02 OUTLIER Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.708 -0.758 . . . . 65.43 112.505 179.991 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 40.4 mm -135.61 142.05 40.47 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-O 120.811 0.339 . . . . 74.2 111.126 -179.945 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -51.75 150.22 4.16 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.174 -0.467 . . . . 63.33 111.082 179.806 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 32.8 tt0 -68.02 -57.04 6.8 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.223 -0.444 . . . . 72.3 110.94 -179.935 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -68.56 -35.97 82.36 Favored Glycine 0 N--CA 1.451 -0.301 0 C-N-CA 120.726 -0.75 . . . . 72.34 112.495 179.99 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 29.4 m -74.15 -25.6 59.84 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 120.771 0.319 . . . . 71.41 111.148 -179.85 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -50.73 -37.55 42.37 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.176 -0.466 . . . . 74.12 111.133 179.838 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 3.2 tt0 -71.62 -35.24 70.4 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.189 -0.46 . . . . 64.31 110.914 -179.943 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 35.9 mttm -69.27 -54.32 15.29 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.141 -0.481 . . . . 74.42 110.897 179.974 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 4.0 p -52.51 -44.01 43.65 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.24 -0.436 . . . . 72.53 111.127 179.866 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 59.1 t -59.57 -46.02 93.47 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.139 -0.482 . . . . 73.05 111.129 179.923 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 15.0 m -54.49 -32.83 58.69 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.185 -0.462 . . . . 75.03 110.864 -179.805 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 1.3 mt -71.58 -27.69 63.31 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.133 -0.485 . . . . 73.25 110.918 179.997 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 18' ' ' ILE . . . . . . . . . . . . . 16.0 mt -65.23 -49.36 79.43 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.165 -0.471 . . . . 75.31 111.116 179.858 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 22.5 t30 -58.66 -22.02 55.78 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.163 -0.471 . . . . 73.41 110.916 179.922 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -64.86 -20.0 66.18 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.199 -0.455 . . . . 74.43 111.066 179.892 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . 90.37 12.75 60.97 Favored Glycine 0 N--CA 1.451 -0.307 0 C-N-CA 120.722 -0.751 . . . . 62.51 112.508 -179.941 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 6.7 mp -74.94 154.42 38.15 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-O 120.925 0.393 . . . . 74.55 110.923 -179.943 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 1.5 p -77.71 142.33 38.82 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.188 -0.46 . . . . 62.53 111.1 179.973 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 42.7 t -51.41 -30.23 10.37 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.192 -0.458 . . . . 74.2 111.128 179.875 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . -57.04 -39.11 89.12 Favored Glycine 0 N--CA 1.452 -0.291 0 C-N-CA 120.746 -0.74 . . . . 54.54 112.452 179.992 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 2.6 t -64.89 -26.88 68.51 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.89 0.376 . . . . 65.34 110.895 -179.76 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 35.3 mm -60.26 -41.82 88.34 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.095 -0.502 . . . . 73.31 111.101 179.996 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 28' ' ' ILE . . . . . . . . . . . . . 63.8 mt -57.08 -42.72 79.99 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.187 -0.46 . . . . 73.21 111.14 179.861 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 70.5 m -56.26 -30.85 62.97 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.145 -0.479 . . . . 73.3 110.866 -179.954 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 30' ' ' ILE . . . . . . . . . . . . . 46.0 mm -69.91 -60.12 2.8 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.152 -0.476 . . . . 74.34 111.147 179.929 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 3.7 mm? -56.98 -41.68 78.81 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.163 -0.471 . . . . 73.42 110.915 179.905 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . 53.91 38.22 59.57 Favored Glycine 0 N--CA 1.451 -0.341 0 C-N-CA 120.755 -0.736 . . . . 53.11 112.496 179.891 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -148.72 69.26 0.34 Allowed Glycine 0 N--CA 1.451 -0.334 0 C-N-CA 120.747 -0.739 . . . . 75.2 112.498 -179.933 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 34' ' ' VAL . . . . . . . . . . . . . 7.7 t 49.55 50.17 0.41 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-O 120.893 0.378 . . . . 74.05 111.126 -179.975 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -86.94 6.82 30.19 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.156 -0.475 . . . . 73.25 111.115 -179.963 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 36' ' ' VAL . . . . . . . . . . . . . 55.0 t -59.94 -22.04 23.22 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.248 -0.433 . . . . 74.34 111.139 179.944 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . -87.92 -31.67 14.47 Favored Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 120.73 -0.748 . . . . 61.14 112.5 179.97 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 4.4 mm? -66.05 -24.92 66.82 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-O 120.812 0.339 . . . . 74.51 110.914 -179.897 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 1.4 m -52.1 -48.69 64.63 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.172 -0.467 . . . . 74.04 110.851 -179.959 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . -59.2 -19.31 45.57 Favored Glycine 0 N--CA 1.451 -0.333 0 C-N-CA 120.741 -0.742 . . . . 72.1 112.485 -179.996 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 41' ' ' VAL . . . . . . . . . . . . . 89.5 t -94.51 -39.47 10.33 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-O 120.837 0.351 . . . . 73.44 111.15 179.998 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 42' ' ' PHE . . . . . . . . . . . . . 3.2 t80 -51.94 -51.36 57.63 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.144 -0.48 . . . . 74.3 110.903 -179.959 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 4.6 t -54.02 -40.4 66.99 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.104 -0.498 . . . . 73.11 111.163 -179.939 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -64.22 -33.63 76.24 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.25 -0.432 . . . . 63.21 111.06 179.878 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 96.2 t -70.87 -49.15 52.37 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.247 -0.433 . . . . 74.01 111.123 179.976 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 17.9 tptt -56.81 -46.7 81.45 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.179 -0.464 . . . . 71.31 110.899 179.925 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -60.09 -37.26 79.43 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.194 -0.457 . . . . 63.35 111.091 179.824 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -60.25 -25.27 65.55 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.251 -0.431 . . . . 74.43 111.127 179.928 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 49' ' ' ILE . . . . . . . . . . . . . 62.3 mt -56.36 -55.98 15.99 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.184 -0.462 . . . . 74.14 111.09 179.992 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -61.71 -23.59 66.22 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.181 -0.463 . . . . 73.54 111.133 179.83 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 1.8 mptp? -77.0 -55.01 5.83 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.165 -0.471 . . . . 74.33 110.892 179.984 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 52' ' ' GLN . . . . . . . . . . . . . 12.8 mp0 -111.17 -70.33 0.82 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.251 -0.431 . . . . 75.31 110.953 179.912 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . 171.19 155.94 11.17 Favored Glycine 0 N--CA 1.452 -0.287 0 C-N-CA 120.67 -0.776 . . . . 73.2 112.432 -179.998 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 54' ' ' ILE . . . . . . . . . . . . . 22.4 pt -51.68 -32.6 14.24 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-O 120.874 0.368 . . . . 74.54 111.125 -179.981 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 15.7 pttm -53.98 -45.45 71.42 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.167 -0.47 . . . . 71.34 110.938 179.805 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 2.4 tttm -66.17 -31.91 73.03 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.239 -0.437 . . . . 64.22 110.902 179.853 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -55.46 -40.13 71.22 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.231 -0.441 . . . . 74.35 111.12 179.818 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 58' ' ' ILE . . . . . . . . . . . . . 70.5 mt -58.69 -58.85 4.91 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.188 -0.46 . . . . 75.44 111.156 179.994 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 59' ' ' GLN . . . . . . . . . . . . . 64.8 mt-30 -59.97 -28.6 67.8 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.158 -0.473 . . . . 73.25 110.893 179.946 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 1.8 mt . . . . . 0 C--N 1.328 -0.329 0 CA-C-N 116.181 -0.463 . . . . 74.14 110.903 -179.948 . . . . . . . . 0 0 . 1 . 001 nuclear build core ' A' A ' 1' ' ' LEU . . . . . 0.471 HD23 ' HA ' ' A' ' 11' ' ' ALA . 3.7 mp . . . . . 0 C--O 1.23 0.074 0 CA-C-O 120.835 0.35 . . . . 75.310000000000002 110.883 . . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 2' ' ' VAL . . . . . 0.54 HG23 ' O ' ' A' ' 58' ' ' ILE . 51.0 t -62.04 -50.26 80.8 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.153 -0.476 . . . . 73.200000000000003 111.093 179.911 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . -64.28 -29.77 70.84 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.218 -0.447 . . . . 73.540000000000006 111.074 179.873 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 4' ' ' TYR . . . . . 0.407 ' CE1' HG11 ' A' ' 41' ' ' VAL . 64.0 t80 -74.21 -48.2 30.51 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.223 -0.444 . . . . 72.329999999999998 110.888 -179.827 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . 159.49 -26.58 0.35 Allowed Glycine 0 N--CA 1.451 -0.328 0 C-N-CA 120.724 -0.75 . . . . 72.450000000000003 112.519 179.989 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 51.7 mm -58.74 135.09 23.49 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-O 120.821 0.343 . . . . 54.509999999999998 111.135 -179.975 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -52.2 143.03 15.29 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.17 -0.468 . . . . 61.030000000000001 111.096 179.822 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 8' ' ' GLN . . . . . 0.463 ' HA ' HG22 ' A' ' 2' ' ' VAL . 8.1 pt20 -67.24 -41.41 85.71 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.197 -0.456 . . . . 72.140000000000001 110.91 -179.955 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -63.22 -46.0 94.03 Favored Glycine 0 N--CA 1.451 -0.342 0 C-N-CA 120.762 -0.732 . . . . 70.239999999999995 112.497 -179.974 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 10' ' ' THR . . . . . 0.691 ' O ' HG23 ' A' ' 14' ' ' VAL . 6.3 m -75.89 -26.2 56.81 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.807 0.337 . . . . 65.019999999999996 111.14 -179.849 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 11' ' ' ALA . . . . . 0.686 ' O ' HG23 ' A' ' 15' ' ' VAL . . . -56.07 -57.47 12.0 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.207 -0.451 . . . . 71.329999999999998 111.108 179.875 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 28.9 mt-10 -52.04 -40.25 60.79 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.177 -0.465 . . . . 62.109999999999999 110.897 -179.945 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 40.1 mtmt -67.6 -46.83 71.43 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.179 -0.464 . . . . 72.230000000000004 110.912 179.959 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 14' ' ' VAL . . . . . 0.691 HG23 ' O ' ' A' ' 10' ' ' THR . 91.9 t -60.97 -40.33 85.13 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.199 -0.455 . . . . 73.310000000000002 111.085 179.924 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 15' ' ' VAL . . . . . 0.798 HG21 HD13 ' A' ' 58' ' ' ILE . 95.4 t -55.66 -36.52 42.81 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.191 -0.459 . . . . 72.219999999999999 111.141 179.93 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 10.9 t -60.48 -35.8 76.77 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.155 -0.475 . . . . 62.450000000000003 110.896 -179.851 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 2.1 mm? -71.36 -28.65 64.2 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.117 -0.492 . . . . 74.200000000000003 110.899 -179.995 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 18' ' ' ILE . . . . . . . . . . . . . 34.4 mt -65.02 -35.89 76.54 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.159 -0.473 . . . . 62.310000000000002 111.129 179.828 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 45.3 t30 -57.22 -24.27 53.48 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.177 -0.465 . . . . 71.230000000000004 110.884 179.952 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 20' ' ' ALA . . . . . 0.425 ' CB ' HD13 ' A' ' 22' ' ' LEU . . . -64.94 -20.06 66.27 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.207 -0.451 . . . . 72.319999999999993 111.082 179.889 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . 84.92 0.31 89.07 Favored Glycine 0 N--CA 1.451 -0.348 0 C-N-CA 120.738 -0.744 . . . . 62.240000000000002 112.547 -179.933 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 22' ' ' LEU . . . . . 0.431 HD23 ' CB ' ' A' ' 26' ' ' SER . 7.0 mp -67.65 155.49 39.05 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.876 0.37 . . . . 61.219999999999999 110.907 -179.917 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 24.8 p -76.79 165.28 24.93 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.211 -0.449 . . . . 71.349999999999994 111.104 179.977 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 24' ' ' VAL . . . . . 0.492 HG21 ' CB ' ' A' ' 39' ' ' SER . 10.7 p -51.47 -30.22 10.57 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.167 -0.47 . . . . 64.409999999999997 111.105 179.935 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . -52.99 -40.03 57.76 Favored Glycine 0 N--CA 1.451 -0.31 0 C-N-CA 120.76 -0.733 . . . . 40.240000000000002 112.464 179.96 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 26' ' ' SER . . . . . 0.431 ' CB ' HD23 ' A' ' 22' ' ' LEU . 5.9 p -70.76 -27.09 63.68 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.892 0.377 . . . . 50.200000000000003 110.869 -179.696 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 27' ' ' ILE . . . . . 0.441 ' O ' HD23 ' A' ' 31' ' ' LEU . 31.0 mm -65.53 -55.01 21.91 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.106 -0.497 . . . . 70.019999999999996 111.12 179.963 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 28' ' ' ILE . . . . . 0.579 HG23 ' OG1' ' A' ' 35' ' ' THR . 56.1 mt -60.47 -33.08 52.98 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.161 -0.472 . . . . 75.200000000000003 111.101 179.867 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 1.7 t -55.46 -39.43 70.35 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.173 -0.467 . . . . 62.240000000000002 110.867 -179.875 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 30' ' ' ILE . . . . . . . . . . . . . 54.7 mt -77.0 -32.37 19.49 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.118 -0.492 . . . . 75.549999999999997 111.156 179.91 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 31' ' ' LEU . . . . . 0.441 HD23 ' O ' ' A' ' 27' ' ' ILE . 4.0 mm? -60.6 -40.33 91.44 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.177 -0.465 . . . . 72.510000000000005 110.929 179.894 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . 62.37 57.96 14.48 Favored Glycine 0 N--CA 1.452 -0.27 0 C-N-CA 120.733 -0.746 . . . . 64.040000000000006 112.457 179.895 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -179.78 178.99 48.84 Favored Glycine 0 N--CA 1.451 -0.349 0 C-N-CA 120.76 -0.734 . . . . 60.119999999999997 112.522 -179.95 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 34' ' ' VAL . . . . . . . . . . . . . 16.0 m -77.24 60.41 0.13 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-O 120.871 0.367 . . . . 64.340000000000003 111.167 -179.932 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 35' ' ' THR . . . . . 0.579 ' OG1' HG23 ' A' ' 28' ' ' ILE . 42.8 p -86.81 6.63 30.69 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.178 -0.465 . . . . 74.150000000000006 111.105 -179.89 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 36' ' ' VAL . . . . . 0.421 ' O ' HG23 ' A' ' 36' ' ' VAL . 4.8 m -56.05 99.94 0.05 OUTLIER 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 116.252 -0.431 . . . . 73.439999999999998 111.121 179.913 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 171.05 -52.92 0.19 Allowed Glycine 0 N--CA 1.451 -0.344 0 C-N-CA 120.753 -0.736 . . . . 71.230000000000004 112.497 -179.996 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 38' ' ' LEU . . . . . 0.453 ' O ' HG22 ' A' ' 41' ' ' VAL . 2.0 pt? -63.32 -17.98 63.13 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 120.812 0.339 . . . . 41.229999999999997 110.918 -179.94 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 39' ' ' SER . . . . . 0.492 ' CB ' HG21 ' A' ' 24' ' ' VAL . 2.9 m -55.84 -25.38 41.69 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.183 -0.462 . . . . 70.120000000000005 110.889 -179.941 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . -70.73 -25.89 74.96 Favored Glycine 0 N--CA 1.451 -0.345 0 C-N-CA 120.789 -0.719 . . . . 64.150000000000006 112.454 -179.967 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 41' ' ' VAL . . . . . 0.742 ' O ' HG23 ' A' ' 45' ' ' VAL . 35.3 m -105.15 -24.11 4.17 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-O 120.837 0.351 . . . . 75.519999999999996 111.095 -179.947 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 42' ' ' PHE . . . . . . . . . . . . . 4.9 t80 -60.99 -37.72 83.49 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.214 -0.448 . . . . 73.430000000000007 110.875 -179.995 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 2.3 m -61.74 -45.37 94.21 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.186 -0.461 . . . . 72.209999999999994 111.155 -179.912 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -66.35 -33.17 75.12 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.217 -0.447 . . . . 73.140000000000001 111.138 179.831 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 45' ' ' VAL . . . . . 0.742 HG23 ' O ' ' A' ' 41' ' ' VAL . 83.3 t -63.52 -36.9 78.05 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.169 -0.469 . . . . 74.430000000000007 111.138 179.964 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 21.3 tttp -52.13 -51.76 55.87 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.176 -0.465 . . . . 45.130000000000003 110.862 179.926 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -63.36 -30.48 71.61 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.238 -0.437 . . . . 74.040000000000006 111.085 179.852 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 48' ' ' ALA . . . . . 0.455 ' HB3' ' O ' ' A' ' 45' ' ' VAL . . . -57.43 -40.41 78.32 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.217 -0.447 . . . . 53.539999999999999 111.089 179.94 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 49' ' ' ILE . . . . . . . . . . . . . 78.1 mt -56.37 -56.0 15.95 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.166 -0.47 . . . . 73.430000000000007 111.122 179.963 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -65.55 -24.39 67.09 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.191 -0.459 . . . . 61.549999999999997 111.098 179.832 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 9.7 tppt? -76.95 -33.59 57.68 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.228 -0.442 . . . . 64.340000000000003 110.903 179.974 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 52' ' ' GLN . . . . . . . . . . . . . 11.4 mm-40 -137.45 -72.85 0.42 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.181 -0.463 . . . . 73.450000000000003 110.919 179.927 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . 176.28 153.85 11.04 Favored Glycine 0 N--CA 1.452 -0.284 0 C-N-CA 120.746 -0.74 . . . . 64.019999999999996 112.502 -179.991 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 54' ' ' ILE . . . . . . . . . . . . . 16.7 pt -51.75 -35.2 17.33 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-O 120.912 0.386 . . . . 72.010000000000005 111.153 -179.949 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 18.8 ptmt -55.55 -45.0 77.3 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.187 -0.461 . . . . 74.239999999999995 110.892 179.829 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 3.6 mmmm -60.57 -36.73 79.21 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.26 -0.427 . . . . 74.109999999999999 110.87 179.905 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -56.3 -33.05 65.17 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.223 -0.444 . . . . 72.010000000000005 111.1 179.8 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 58' ' ' ILE . . . . . 0.798 HD13 HG21 ' A' ' 15' ' ' VAL . 40.7 mm -56.43 -57.32 9.42 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.221 -0.445 . . . . 62.539999999999999 111.146 179.998 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 59' ' ' GLN . . . . . . . . . . . . . 50.2 mt-30 -55.42 -29.83 59.32 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.192 -0.458 . . . . 61.140000000000001 110.89 179.936 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 60' ' ' LEU . . . . . 0.676 HD23 HG22 ' A' ' 45' ' ' VAL . 1.2 mp . . . . . 0 C--N 1.329 -0.313 0 CA-C-N 116.168 -0.469 . . . . 61.350000000000001 110.915 -179.948 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 1' ' ' LEU . . . . . . . . . . . . . 1.6 tp . . . . . 0 C--O 1.231 0.117 0 CA-C-O 120.81 0.338 . . . . 74.400000000000006 110.922 . . . . . . . . . 0 0 . 1 . 002 nuclear build core ' A' A ' 2' ' ' VAL . . . . . 0.543 HG21 ' NE2' ' A' ' 8' ' ' GLN . 23.4 t -63.29 -48.94 85.06 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.232 -0.44 . . . . 73.150000000000006 111.124 179.847 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . -64.21 -30.98 72.01 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.19 -0.459 . . . . 63.310000000000002 111.08 179.914 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 4' ' ' TYR . . . . . 0.505 ' CE1' HG11 ' A' ' 41' ' ' VAL . 0.6 OUTLIER -74.18 -50.82 17.61 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.227 -0.442 . . . . 75.420000000000002 110.953 -179.903 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 5' ' ' GLY . . . . . 0.553 ' O ' HD13 ' A' ' 6' ' ' ILE . . . 149.74 52.47 0.02 OUTLIER Glycine 0 N--CA 1.452 -0.288 0 C-N-CA 120.72 -0.752 . . . . 55.43 112.48 -179.982 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 6' ' ' ILE . . . . . 0.682 HD11 ' HG ' ' A' ' 38' ' ' LEU . 49.6 mm -139.25 142.94 32.33 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.343 0 CA-C-O 120.801 0.334 . . . . 70.230000000000004 111.149 -179.941 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -51.6 132.98 30.86 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.168 -0.469 . . . . 71.540000000000006 111.057 179.865 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 8' ' ' GLN . . . . . 0.543 ' NE2' HG21 ' A' ' 2' ' ' VAL . 4.9 tp-100 -67.96 -55.92 10.93 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.212 -0.449 . . . . 61.520000000000003 110.948 -179.951 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -52.73 -41.64 57.99 Favored Glycine 0 N--CA 1.451 -0.315 0 C-N-CA 120.695 -0.764 . . . . 73.319999999999993 112.53 179.989 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 10' ' ' THR . . . . . 0.697 ' O ' HG23 ' A' ' 14' ' ' VAL . 96.3 m -76.74 -34.58 58.08 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.785 0.326 . . . . 74.129999999999995 111.195 -179.928 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 11' ' ' ALA . . . . . 0.745 ' O ' HG23 ' A' ' 15' ' ' VAL . . . -54.68 -38.48 67.03 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.166 -0.47 . . . . 75.329999999999998 111.122 179.853 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 10.6 tt0 -55.0 -56.67 17.11 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.21 -0.45 . . . . 70.420000000000002 110.919 -179.926 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 21.8 mtpp -61.98 -37.48 84.95 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.157 -0.474 . . . . 72.310000000000002 110.867 179.954 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 14' ' ' VAL . . . . . 0.697 HG23 ' O ' ' A' ' 10' ' ' THR . 94.4 t -60.48 -34.96 60.06 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.233 -0.439 . . . . 73.129999999999995 111.129 179.888 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 15' ' ' VAL . . . . . 0.745 HG23 ' O ' ' A' ' 11' ' ' ALA . 93.2 t -55.51 -31.1 27.37 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.18 -0.463 . . . . 64.209999999999994 111.144 179.905 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 23.6 t -58.63 -42.81 89.11 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.149 -0.478 . . . . 73.299999999999997 110.902 -179.887 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 17' ' ' LEU . . . . . 0.52 HD12 HD22 ' A' ' 22' ' ' LEU . 4.1 mm? -71.25 -39.23 71.75 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.111 -0.495 . . . . 54.439999999999998 110.942 179.967 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 18' ' ' ILE . . . . . . . . . . . . . 39.8 mt -65.02 -49.17 80.94 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.187 -0.46 . . . . 70.140000000000001 111.108 179.825 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 19.3 t-20 -57.3 -26.89 61.59 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.23 -0.441 . . . . 65.409999999999997 110.909 179.935 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 20' ' ' ALA . . . . . 0.459 ' HB3' HD13 ' A' ' 22' ' ' LEU . . . -65.01 -20.04 66.3 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.152 -0.476 . . . . 64.319999999999993 111.05 179.936 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . 91.57 17.53 48.8 Favored Glycine 0 N--CA 1.452 -0.296 0 C-N-CA 120.731 -0.747 . . . . 72.430000000000007 112.488 -179.982 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 22' ' ' LEU . . . . . 0.52 HD22 HD12 ' A' ' 17' ' ' LEU . 6.6 mp -74.88 145.34 42.81 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.867 0.365 . . . . 74.010000000000005 110.912 -179.875 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 12.1 p -76.94 158.21 30.83 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.231 -0.441 . . . . 55.439999999999998 111.09 179.981 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 19.0 m -51.49 -30.22 10.65 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.179 -0.464 . . . . 54.520000000000003 111.131 179.906 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . -55.51 -52.1 50.21 Favored Glycine 0 N--CA 1.452 -0.293 0 C-N-CA 120.737 -0.744 . . . . 73.129999999999995 112.503 179.922 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 49.1 m -63.57 -26.97 68.94 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.857 0.361 . . . . 72.239999999999995 110.902 -179.79 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 30.0 mm -64.97 -42.32 94.44 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.145 -0.479 . . . . 74.439999999999998 111.158 179.923 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 28' ' ' ILE . . . . . 0.665 HD13 HG23 ' A' ' 35' ' ' THR . 35.6 mm -60.45 -36.95 72.85 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.139 -0.482 . . . . 65.5 111.116 179.859 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 12.3 t -63.46 -30.94 71.99 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.209 -0.45 . . . . 54.039999999999999 110.883 -179.908 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 30' ' ' ILE . . . . . . . . . . . . . 44.1 mm -70.02 -60.71 2.17 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.105 -0.498 . . . . 54.409999999999997 111.158 179.931 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 31' ' ' LEU . . . . . 0.721 HD22 ' CB ' ' A' ' 35' ' ' THR . 4.3 mp -52.01 -41.99 62.67 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.157 -0.474 . . . . 55.210000000000001 110.873 179.897 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . 75.83 17.96 79.82 Favored Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.768 -0.73 . . . . 64.109999999999999 112.488 179.93 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -137.0 -176.71 14.51 Favored Glycine 0 N--CA 1.451 -0.353 0 C-N-CA 120.761 -0.733 . . . . 63.229999999999997 112.527 -179.953 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 34' ' ' VAL . . . . . . . . . . . . . 14.8 t -77.92 58.4 0.11 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-O 120.913 0.387 . . . . 72.030000000000001 111.125 -179.949 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 35' ' ' THR . . . . . 0.721 ' CB ' HD22 ' A' ' 31' ' ' LEU . 8.7 t -87.62 8.53 24.85 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.181 -0.463 . . . . 64.430000000000007 111.166 -179.981 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 36' ' ' VAL . . . . . . . . . . . . . 41.3 t -55.2 -25.2 16.35 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.201 -0.454 . . . . 63.229999999999997 111.144 179.92 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . -64.72 -46.09 90.85 Favored Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.736 -0.745 . . . . 74.140000000000001 112.482 179.993 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 38' ' ' LEU . . . . . 0.682 ' HG ' HD11 ' A' ' 6' ' ' ILE . 4.3 mm? -66.28 -26.48 67.36 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.781 0.324 . . . . 75.319999999999993 110.906 -179.924 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 3.6 p -52.56 -29.45 25.58 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.205 -0.452 . . . . 71.409999999999997 110.86 -179.935 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . -52.19 -33.23 37.74 Favored Glycine 0 N--CA 1.45 -0.376 0 C-N-CA 120.76 -0.734 . . . . 44.109999999999999 112.494 -179.972 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 41' ' ' VAL . . . . . 0.667 ' O ' HG23 ' A' ' 45' ' ' VAL . 27.2 m -104.88 -25.1 3.79 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-O 120.834 0.349 . . . . 74.239999999999995 111.139 -179.999 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 42' ' ' PHE . . . . . . . . . . . . . 5.4 t80 -52.14 -40.22 61.07 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.167 -0.47 . . . . 74.019999999999996 110.867 -179.971 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 1.9 m -61.29 -47.36 86.34 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.131 -0.486 . . . . 73.510000000000005 111.119 -179.888 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -66.4 -33.41 75.65 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.19 -0.459 . . . . 70.030000000000001 111.129 179.87 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 45' ' ' VAL . . . . . 0.667 HG23 ' O ' ' A' ' 41' ' ' VAL . 90.2 t -63.71 -47.55 90.59 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.222 -0.445 . . . . 42.32 111.111 179.983 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 12.4 tmtt? -53.39 -52.99 57.55 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.173 -0.467 . . . . 71.409999999999997 110.903 179.917 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -62.99 -33.85 76.28 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.2 -0.455 . . . . 41.210000000000001 111.144 179.776 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -57.19 -33.27 67.32 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.215 -0.448 . . . . 73.230000000000004 111.137 179.902 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 49' ' ' ILE . . . . . 0.525 HG12 ' HB2' ' A' ' 57' ' ' ALA . 75.1 mt -56.36 -54.95 21.97 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.156 -0.474 . . . . 50.240000000000002 111.138 179.976 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -65.01 -23.68 67.28 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.168 -0.469 . . . . 65.010000000000005 111.091 179.821 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 6.7 mmpt? -76.97 -42.69 37.94 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.224 -0.444 . . . . 70.230000000000004 110.849 -179.985 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 52' ' ' GLN . . . . . . . . . . . . . 83.4 mm-40 -119.13 -71.01 0.76 Allowed 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.231 -0.44 . . . . 72.239999999999995 110.914 179.968 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . 170.69 155.44 10.43 Favored Glycine 0 N--CA 1.45 -0.369 0 C-N-CA 120.807 -0.711 . . . . 62.119999999999997 112.552 -179.98 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 54' ' ' ILE . . . . . 0.539 ' O ' ' HB3' ' A' ' 57' ' ' ALA . 17.6 pt -51.87 -34.76 17.23 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-O 120.907 0.384 . . . . 75.040000000000006 111.136 -179.935 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 25.6 ttmt -54.75 -56.26 21.23 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.176 -0.465 . . . . 70.310000000000002 110.908 179.815 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 3.4 mptp? -57.8 -27.34 63.03 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.199 -0.455 . . . . 65.349999999999994 110.898 179.88 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 57' ' ' ALA . . . . . 0.539 ' HB3' ' O ' ' A' ' 54' ' ' ILE . . . -60.28 -42.05 94.61 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.197 -0.456 . . . . 51.210000000000001 111.112 179.808 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 58' ' ' ILE . . . . . 0.517 ' O ' HG23 ' A' ' 2' ' ' VAL . 71.9 mt -57.33 -60.01 2.57 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.203 -0.453 . . . . 74.140000000000001 111.128 -179.989 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 59' ' ' GLN . . . . . . . . . . . . . 76.0 mm-40 -56.03 -26.91 50.92 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.164 -0.471 . . . . 71.0 110.894 179.952 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 60' ' ' LEU . . . . . 0.4 HD22 ' CE2' ' A' ' 4' ' ' TYR . 1.6 mt . . . . . 0 C--N 1.328 -0.355 0 CA-C-N 116.2 -0.455 . . . . 70.329999999999998 110.934 -179.98 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 1' ' ' LEU . . . . . . . . . . . . . 76.4 mt . . . . . 0 C--O 1.23 0.075 0 CA-C-O 120.868 0.366 . . . . 72.319999999999993 110.95 . . . . . . . . . 0 0 . 1 . 003 nuclear build core ' A' A ' 2' ' ' VAL . . . . . 0.454 HG23 ' O ' ' A' ' 58' ' ' ILE . 77.0 t -63.03 -50.17 80.58 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.179 -0.464 . . . . 33.43 111.088 179.848 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . -64.26 -32.52 74.14 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.193 -0.458 . . . . 71.409999999999997 111.085 179.907 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 4' ' ' TYR . . . . . 0.618 ' CZ ' HG11 ' A' ' 41' ' ' VAL . 67.3 t80 -74.52 -45.91 42.74 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.234 -0.439 . . . . 74.129999999999995 110.911 -179.84 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 5' ' ' GLY . . . . . 0.525 ' O ' HD13 ' A' ' 6' ' ' ILE . . . 152.35 57.38 0.01 OUTLIER Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.764 -0.731 . . . . 32.109999999999999 112.505 179.975 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 6' ' ' ILE . . . . . 0.525 HD13 ' O ' ' A' ' 5' ' ' GLY . 49.8 mm -136.49 140.36 43.51 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-O 120.891 0.377 . . . . 64.200000000000003 111.125 -179.985 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 7' ' ' ALA . . . . . 0.689 ' HB3' ' HB ' ' A' ' 10' ' ' THR . . . -51.6 134.48 29.64 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.159 -0.473 . . . . 63.399999999999999 111.085 179.804 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 45.0 mt-30 -67.74 -56.76 8.0 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.208 -0.451 . . . . 73.310000000000002 110.948 -179.968 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -59.46 -38.86 94.12 Favored Glycine 0 N--CA 1.451 -0.308 0 C-N-CA 120.697 -0.763 . . . . 72.439999999999998 112.51 -179.982 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 10' ' ' THR . . . . . 0.706 ' O ' HG23 ' A' ' 14' ' ' VAL . 95.8 m -74.6 -33.32 62.59 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.791 0.329 . . . . 74.439999999999998 111.188 -179.91 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 11' ' ' ALA . . . . . 0.696 ' O ' HG23 ' A' ' 15' ' ' VAL . . . -51.76 -43.37 62.92 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.179 -0.464 . . . . 43.219999999999999 111.103 179.848 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 47.6 mt-10 -52.01 -52.34 51.33 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.233 -0.44 . . . . 72.299999999999997 110.88 -179.916 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 5.5 ttmt -68.31 -42.0 80.04 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.162 -0.472 . . . . 74.510000000000005 110.945 179.961 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 14' ' ' VAL . . . . . 0.706 HG23 ' O ' ' A' ' 10' ' ' THR . 89.8 t -55.91 -47.84 79.32 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.26 0 CA-C-N 116.185 -0.461 . . . . 70.219999999999999 111.123 179.876 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 15' ' ' VAL . . . . . 0.828 HG21 HG12 ' A' ' 58' ' ' ILE . 93.7 t -55.53 -39.47 54.1 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.146 -0.479 . . . . 73.219999999999999 111.177 179.892 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 1.7 t -53.05 -39.15 63.05 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.128 -0.487 . . . . 54.219999999999999 110.862 -179.85 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 17' ' ' LEU . . . . . 0.512 HD21 HG13 ' A' ' 30' ' ' ILE . 4.5 mp -71.28 -31.01 66.96 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.153 -0.476 . . . . 74.319999999999993 110.955 179.95 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 18' ' ' ILE . . . . . . . . . . . . . 34.5 mt -65.11 -49.43 79.39 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.133 -0.485 . . . . 72.329999999999998 111.154 179.811 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 20.5 t-20 -58.26 -25.48 61.81 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.186 -0.461 . . . . 74.400000000000006 110.886 179.964 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -64.95 -20.12 66.31 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.165 -0.47 . . . . 73.019999999999996 111.102 179.84 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . 90.69 14.44 58.21 Favored Glycine 0 N--CA 1.451 -0.328 0 C-N-CA 120.754 -0.736 . . . . 75.109999999999999 112.434 -179.988 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 85.5 mt -74.91 160.43 30.62 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.889 0.376 . . . . 74.310000000000002 110.884 -179.941 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 68.6 p -84.24 155.6 22.4 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.178 -0.464 . . . . 73.540000000000006 111.139 179.924 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 24' ' ' VAL . . . . . 0.464 HG21 ' OG ' ' A' ' 39' ' ' SER . 14.0 p -51.43 -30.43 10.7 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.244 -0.435 . . . . 52.229999999999997 111.136 179.919 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . -57.08 -41.69 92.71 Favored Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.763 -0.732 . . . . 21.309999999999999 112.491 179.94 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 29.5 t -66.16 -26.95 67.66 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-O 120.85 0.357 . . . . 53.219999999999999 110.907 -179.757 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 35.4 mm -61.14 -54.97 27.96 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.088 -0.505 . . . . 63.200000000000003 111.166 179.929 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 28' ' ' ILE . . . . . 0.433 HG23 ' OG1' ' A' ' 35' ' ' THR . 30.5 mt -60.35 -33.4 53.83 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.16 -0.473 . . . . 70.230000000000004 111.135 179.851 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 1.8 t -59.92 -47.04 87.42 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.163 -0.471 . . . . 63.219999999999999 110.856 -179.917 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 30' ' ' ILE . . . . . 0.512 HG13 HD21 ' A' ' 17' ' ' LEU . 51.2 mm -76.74 -28.58 17.45 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 116.104 -0.498 . . . . 74.239999999999995 111.135 179.944 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 31' ' ' LEU . . . . . 0.744 ' HG ' HG21 ' A' ' 35' ' ' THR . 0.1 OUTLIER -66.43 -41.96 88.41 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.14 -0.482 . . . . 63.240000000000002 110.888 179.924 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . 72.12 57.91 5.45 Favored Glycine 0 N--CA 1.451 -0.345 0 C-N-CA 120.78 -0.724 . . . . 73.530000000000001 112.498 179.926 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -178.9 177.29 48.43 Favored Glycine 0 N--CA 1.452 -0.296 0 C-N-CA 120.746 -0.74 . . . . 65.129999999999995 112.464 -179.896 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 34' ' ' VAL . . . . . . . . . . . . . 16.1 m -77.35 59.98 0.12 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-O 120.961 0.41 . . . . 73.040000000000006 111.146 -179.98 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 35' ' ' THR . . . . . 0.744 HG21 ' HG ' ' A' ' 31' ' ' LEU . 0.8 OUTLIER -87.14 7.52 27.76 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.131 -0.486 . . . . 63.409999999999997 111.105 -179.954 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 36' ' ' VAL . . . . . . . . . . . . . 10.0 p -57.38 -23.18 18.8 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.248 -0.433 . . . . 63.240000000000002 111.088 179.93 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . -73.72 -48.54 16.83 Favored Glycine 0 N--CA 1.451 -0.302 0 C-N-CA 120.767 -0.73 . . . . 33.450000000000003 112.473 179.977 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 38' ' ' LEU . . . . . 0.455 ' O ' HG22 ' A' ' 41' ' ' VAL . 4.3 mm? -66.29 -25.68 66.97 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-O 120.799 0.333 . . . . 73.299999999999997 110.908 -179.897 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 39' ' ' SER . . . . . 0.464 ' OG ' HG21 ' A' ' 24' ' ' VAL . 1.2 t -55.54 -26.4 42.96 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.21 -0.45 . . . . 64.510000000000005 110.881 -179.943 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . -56.48 -30.57 58.96 Favored Glycine 0 N--CA 1.452 -0.3 0 C-N-CA 120.752 -0.737 . . . . 73.420000000000002 112.471 179.981 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 41' ' ' VAL . . . . . 0.711 ' O ' HG23 ' A' ' 45' ' ' VAL . 24.9 m -104.91 -24.12 4.16 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-O 120.864 0.364 . . . . 63.229999999999997 111.109 -179.911 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 42' ' ' PHE . . . . . . . . . . . . . 10.0 t80 -52.02 -54.39 30.49 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.193 -0.458 . . . . 74.209999999999994 110.88 -179.954 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 4.3 t -54.0 -41.13 67.62 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.119 -0.491 . . . . 74.099999999999994 111.202 -179.984 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -66.4 -35.06 79.37 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.227 -0.442 . . . . 65.430000000000007 111.117 179.826 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 45' ' ' VAL . . . . . 0.711 HG23 ' O ' ' A' ' 41' ' ' VAL . 55.4 t -63.69 -38.28 81.86 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.178 -0.465 . . . . 51.219999999999999 111.122 -179.971 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 50.8 tttm -51.9 -49.25 63.4 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.152 -0.476 . . . . 63.439999999999998 110.937 179.888 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -63.51 -30.62 71.71 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.211 -0.449 . . . . 74.519999999999996 111.088 179.851 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 48' ' ' ALA . . . . . 0.435 ' HB3' ' O ' ' A' ' 45' ' ' VAL . . . -58.59 -29.62 66.57 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.249 -0.432 . . . . 40.329999999999998 111.106 179.901 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 49' ' ' ILE . . . . . . . . . . . . . 64.3 mt -56.4 -54.63 25.98 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.342 0 CA-C-N 116.245 -0.434 . . . . 71.530000000000001 111.137 179.975 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -65.42 -24.19 67.14 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.194 -0.457 . . . . 63.43 111.15 179.763 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 34.7 mttt -76.93 -39.09 52.01 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.191 -0.459 . . . . 65.219999999999999 110.929 179.918 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 52' ' ' GLN . . . . . . . . . . . . . 9.5 mm100 -130.19 -68.59 0.7 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.245 -0.434 . . . . 73.540000000000006 110.937 179.938 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . 168.04 156.45 10.19 Favored Glycine 0 N--CA 1.452 -0.288 0 C-N-CA 120.726 -0.75 . . . . 45.329999999999998 112.459 179.985 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 54' ' ' ILE . . . . . . . . . . . . . 52.2 mt -53.89 -39.43 40.15 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-O 120.951 0.405 . . . . 71.299999999999997 111.157 -179.99 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 7.6 ptpp? -53.91 -45.56 71.18 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.181 -0.463 . . . . 75.150000000000006 110.874 179.885 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -65.99 -33.48 75.9 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.209 -0.45 . . . . 61.549999999999997 110.889 179.893 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -61.65 -41.77 97.98 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.253 -0.43 . . . . 74.200000000000003 111.118 179.814 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 58' ' ' ILE . . . . . 0.828 HG12 HG21 ' A' ' 15' ' ' VAL . 55.5 mt -56.74 -56.92 11.57 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.218 -0.446 . . . . 72.409999999999997 111.109 179.989 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 59' ' ' GLN . . . . . . . . . . . . . 42.8 mm-40 -57.0 -29.58 63.43 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.168 -0.469 . . . . 75.109999999999999 110.88 179.973 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 1.1 tp . . . . . 0 C--N 1.328 -0.329 0 CA-C-N 116.222 -0.445 . . . . 73.329999999999998 110.874 -179.949 . . . . . . . . 0 0 . 1 . 004 nuclear build core ' A' A ' 1' ' ' LEU . . . . . 0.444 HD22 HG13 ' A' ' 6' ' ' ILE . 45.2 mt . . . . . 0 C--O 1.231 0.116 0 CA-C-O 120.863 0.364 . . . . 71.25 110.908 . . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 2' ' ' VAL . . . . . 0.527 HG23 ' O ' ' A' ' 58' ' ' ILE . 34.9 t -63.33 -49.83 81.32 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.175 -0.466 . . . . 73.400000000000006 111.16 179.818 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . -64.35 -29.58 70.65 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.15 -0.477 . . . . 73.230000000000004 111.06 179.885 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 4' ' ' TYR . . . . . 0.644 ' HE2' HD12 ' A' ' 38' ' ' LEU . 77.6 t80 -73.97 -48.21 32.04 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.26 -0.427 . . . . 71.239999999999995 110.923 -179.86 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . 159.69 -27.04 0.35 Allowed Glycine 0 N--CA 1.452 -0.275 0 C-N-CA 120.732 -0.747 . . . . 73.049999999999997 112.466 180.0 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 6' ' ' ILE . . . . . 0.444 HG13 HD22 ' A' ' 1' ' ' LEU . 50.7 mm -58.98 130.15 22.02 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.35 0 CA-C-O 120.845 0.355 . . . . 73.349999999999994 111.092 -179.945 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -51.75 137.93 24.59 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.158 -0.473 . . . . 53.119999999999997 111.088 179.825 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 14.0 pt20 -68.02 -41.93 81.42 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.264 -0.426 . . . . 70.230000000000004 110.935 -179.95 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -53.77 -50.76 52.87 Favored Glycine 0 N--CA 1.451 -0.326 0 C-N-CA 120.764 -0.731 . . . . 62.43 112.482 -179.953 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 10' ' ' THR . . . . . 0.694 ' O ' HG23 ' A' ' 14' ' ' VAL . 95.6 m -76.55 -33.22 58.54 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.838 0.352 . . . . 71.030000000000001 111.115 -179.839 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 11' ' ' ALA . . . . . 0.751 ' O ' HG23 ' A' ' 15' ' ' VAL . . . -51.68 -48.56 63.41 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.203 -0.453 . . . . 64.109999999999999 111.116 179.864 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 6.5 mt-10 -52.08 -48.84 64.48 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.228 -0.442 . . . . 72.400000000000006 110.882 -179.9 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 3.3 ttmp? -67.49 -39.88 85.21 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.197 -0.456 . . . . 74.349999999999994 110.915 179.947 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 14' ' ' VAL . . . . . 0.694 HG23 ' O ' ' A' ' 10' ' ' THR . 90.2 t -61.12 -35.07 63.1 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.195 -0.457 . . . . 45.25 111.163 179.821 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 15' ' ' VAL . . . . . 0.751 HG23 ' O ' ' A' ' 11' ' ' ALA . 93.5 t -55.58 -44.68 77.41 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.16 -0.473 . . . . 74.519999999999996 111.179 179.896 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 4.9 m -54.33 -34.41 60.99 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.152 -0.476 . . . . 73.239999999999995 110.817 -179.818 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 4.2 mp -71.23 -35.45 71.49 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.15 -0.477 . . . . 75.329999999999998 110.906 -179.986 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 18' ' ' ILE . . . . . . . . . . . . . 34.8 mt -64.97 -49.83 77.83 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.353 0 CA-C-N 116.192 -0.458 . . . . 50.409999999999997 111.145 179.84 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 27.6 t-20 -58.62 -28.83 66.01 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.18 -0.463 . . . . 74.299999999999997 110.886 179.945 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 20' ' ' ALA . . . . . 0.608 ' HB3' HD23 ' A' ' 22' ' ' LEU . . . -65.09 -20.05 66.29 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.13 -0.487 . . . . 32.439999999999998 111.129 179.854 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . 101.81 18.08 19.12 Favored Glycine 0 N--CA 1.452 -0.262 0 C-N-CA 120.729 -0.748 . . . . 55.43 112.506 -179.938 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 22' ' ' LEU . . . . . 0.64 HD12 ' CB ' ' A' ' 26' ' ' SER . 4.5 mm? -74.89 136.37 41.46 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.939 0.4 . . . . 73.349999999999994 110.933 -179.889 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 20.7 p -83.67 161.41 21.08 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.163 -0.471 . . . . 73.400000000000006 111.166 179.959 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 24' ' ' VAL . . . . . 0.403 HG23 ' HB3' ' A' ' 42' ' ' PHE . 11.4 p -51.42 -30.9 11.31 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.227 -0.442 . . . . 61.439999999999998 111.112 179.899 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . -65.45 -39.63 95.81 Favored Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.764 -0.731 . . . . 72.040000000000006 112.457 -179.998 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 26' ' ' SER . . . . . 0.64 ' CB ' HD12 ' A' ' 22' ' ' LEU . 1.4 t -70.68 -32.75 70.11 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.796 0.332 . . . . 65.439999999999998 110.839 -179.726 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 35.9 mm -60.37 -55.0 27.25 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.154 -0.475 . . . . 63.420000000000002 111.153 179.972 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 28' ' ' ILE . . . . . 0.679 HD11 ' OG ' ' A' ' 39' ' ' SER . 83.2 mt -53.46 -34.2 22.9 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.168 -0.469 . . . . 65.0 111.126 179.847 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 15.6 t -63.53 -30.67 71.75 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.197 -0.456 . . . . 71.230000000000004 110.869 -179.946 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 30' ' ' ILE . . . . . . . . . . . . . 43.5 mm -69.73 -61.08 1.83 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.181 -0.463 . . . . 65.409999999999997 111.188 179.933 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 6.6 mp -63.05 -42.85 99.81 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.177 -0.465 . . . . 54.329999999999998 110.914 179.874 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . 50.01 58.03 9.18 Favored Glycine 0 N--CA 1.451 -0.342 0 C-N-CA 120.769 -0.729 . . . . 50.130000000000003 112.5 179.907 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -148.6 -147.57 4.56 Favored Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 120.752 -0.737 . . . . 61.119999999999997 112.48 -179.906 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 34' ' ' VAL . . . . . . . . . . . . . 32.3 m -78.21 -1.96 4.46 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-O 120.851 0.358 . . . . 75.420000000000002 111.133 179.958 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 71.3 p -78.21 -2.72 39.13 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.223 -0.444 . . . . 73.140000000000001 111.14 -179.946 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 36' ' ' VAL . . . . . 0.659 HG23 HG21 ' A' ' 28' ' ' ILE . 6.1 p -56.27 -24.33 17.99 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.264 0 CA-C-N 116.217 -0.447 . . . . 73.549999999999997 111.146 179.895 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . -91.21 -32.44 8.87 Favored Glycine 0 N--CA 1.452 -0.288 0 C-N-CA 120.688 -0.768 . . . . 71.319999999999993 112.501 179.998 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 38' ' ' LEU . . . . . 0.727 ' O ' HG22 ' A' ' 41' ' ' VAL . 4.3 mm? -66.19 -20.98 66.29 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-O 120.796 0.331 . . . . 61.439999999999998 110.893 -179.954 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 39' ' ' SER . . . . . 0.679 ' OG ' HD11 ' A' ' 28' ' ' ILE . 0.9 OUTLIER -58.56 -22.0 54.39 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.16 -0.473 . . . . 71.549999999999997 110.891 -179.892 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . -53.51 -26.29 30.37 Favored Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 120.719 -0.753 . . . . 31.32 112.479 -179.955 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 41' ' ' VAL . . . . . 0.727 HG22 ' O ' ' A' ' 38' ' ' LEU . 18.7 m -93.36 -20.3 6.42 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-O 120.889 0.376 . . . . 72.310000000000002 111.16 179.985 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 42' ' ' PHE . . . . . 0.403 ' HB3' HG23 ' A' ' 24' ' ' VAL . 4.6 t80 -55.15 -38.54 68.4 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.142 -0.481 . . . . 75.109999999999999 110.867 -179.982 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 21.3 m -58.46 -47.64 83.33 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.175 -0.466 . . . . 64.209999999999994 111.123 -179.882 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -65.7 -30.6 71.31 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.235 -0.439 . . . . 71.230000000000004 111.103 179.862 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 45' ' ' VAL . . . . . 0.634 HG23 ' O ' ' A' ' 41' ' ' VAL . 53.3 t -65.8 -44.73 92.88 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.202 -0.454 . . . . 73.420000000000002 111.141 179.953 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 1.2 tmtp? -53.96 -48.18 70.55 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.143 -0.48 . . . . 74.439999999999998 110.892 179.95 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -60.28 -30.75 69.66 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.258 -0.428 . . . . 73.140000000000001 111.083 179.804 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 48' ' ' ALA . . . . . 0.445 ' HB3' ' O ' ' A' ' 45' ' ' VAL . . . -58.88 -36.91 75.41 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.241 -0.436 . . . . 75.340000000000003 111.062 179.972 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 49' ' ' ILE . . . . . . . . . . . . . 68.3 mt -56.38 -55.78 17.18 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.243 -0.435 . . . . 72.409999999999997 111.133 179.981 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -65.42 -23.7 67.01 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.184 -0.462 . . . . 62.5 111.115 179.846 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 30.2 tttp -76.98 -37.46 55.1 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.206 -0.452 . . . . 74.230000000000004 110.877 179.925 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 52' ' ' GLN . . . . . . . . . . . . . 71.0 mm-40 -133.89 -67.79 0.58 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.225 -0.443 . . . . 65.010000000000005 110.87 -179.986 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . 169.91 156.07 10.7 Favored Glycine 0 N--CA 1.451 -0.361 0 C-N-CA 120.746 -0.74 . . . . 43.329999999999998 112.472 -179.948 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 54' ' ' ILE . . . . . . . . . . . . . 22.0 pt -51.67 -32.58 14.17 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-O 120.902 0.382 . . . . 72.219999999999999 111.146 -179.994 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -56.69 -42.14 78.55 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.157 -0.474 . . . . 63.310000000000002 110.867 179.894 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 17.0 tppt? -66.47 -35.21 79.72 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.205 -0.452 . . . . 64.219999999999999 110.892 179.879 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -60.49 -38.56 84.69 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.218 -0.446 . . . . 73.549999999999997 111.113 179.814 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 58' ' ' ILE . . . . . 0.527 ' O ' HG23 ' A' ' 2' ' ' VAL . 69.4 mt -56.46 -59.91 2.44 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.354 0 CA-C-N 116.268 -0.424 . . . . 71.019999999999996 111.146 179.952 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 59' ' ' GLN . . . . . . . . . . . . . 34.7 mm-40 -58.19 -27.2 63.65 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.152 -0.476 . . . . 61.229999999999997 110.929 179.913 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 C--N 1.328 -0.337 0 CA-C-N 116.201 -0.454 . . . . 74.040000000000006 110.907 -179.987 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 1' ' ' LEU . . . . . 0.556 HD22 HG13 ' A' ' 6' ' ' ILE . 39.6 mt . . . . . 0 C--O 1.231 0.11 0 CA-C-O 120.795 0.331 . . . . 73.409999999999997 110.912 . . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 2' ' ' VAL . . . . . 0.651 HG22 ' HA ' ' A' ' 8' ' ' GLN . 67.9 t -63.22 -50.04 80.67 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.228 -0.442 . . . . 74.219999999999999 111.117 179.859 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . -64.44 -28.99 70.05 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.17 -0.468 . . . . 72.400000000000006 111.078 179.892 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 4' ' ' TYR . . . . . . . . . . . . . 85.6 t80 -73.98 -48.31 31.23 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.218 -0.446 . . . . 70.430000000000007 110.921 -179.889 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . 160.22 -27.57 0.33 Allowed Glycine 0 N--CA 1.451 -0.307 0 C-N-CA 120.791 -0.719 . . . . 72.409999999999997 112.491 179.992 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 6' ' ' ILE . . . . . 0.556 HG13 HD22 ' A' ' 1' ' ' LEU . 50.6 mm -57.8 137.69 19.66 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.342 0 CA-C-O 120.818 0.342 . . . . 74.420000000000002 111.131 -179.985 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 7' ' ' ALA . . . . . 0.465 ' O ' ' HB2' ' A' ' 11' ' ' ALA . . . -51.64 139.52 20.66 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.183 -0.462 . . . . 73.239999999999995 111.102 179.817 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 8' ' ' GLN . . . . . 0.651 ' HA ' HG22 ' A' ' 2' ' ' VAL . 6.6 pt20 -67.88 -42.82 80.67 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.244 -0.435 . . . . 71.549999999999997 110.952 -179.977 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -62.33 -46.51 93.74 Favored Glycine 0 N--CA 1.451 -0.354 0 C-N-CA 120.781 -0.723 . . . . 51.43 112.507 179.982 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 88.2 m -77.0 -25.88 53.21 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-O 120.815 0.34 . . . . 53.140000000000001 111.14 -179.864 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 11' ' ' ALA . . . . . 0.745 ' O ' HG23 ' A' ' 15' ' ' VAL . . . -51.53 -36.86 46.72 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.207 -0.451 . . . . 74.299999999999997 111.054 179.91 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 13.3 mt-10 -72.26 -32.94 67.12 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.236 -0.438 . . . . 63.229999999999997 110.838 -179.879 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 29.7 mttm -69.42 -54.26 15.24 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.208 -0.451 . . . . 75.140000000000001 110.888 179.953 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 16.9 m -52.08 -34.91 18.17 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.252 -0.431 . . . . 73.310000000000002 111.112 179.888 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 15' ' ' VAL . . . . . 0.745 HG23 ' O ' ' A' ' 11' ' ' ALA . 53.8 t -55.57 -34.71 35.98 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.183 -0.462 . . . . 43.310000000000002 111.19 179.9 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 1.7 t -59.53 -37.61 78.83 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.177 -0.465 . . . . 74.299999999999997 110.88 -179.873 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 2.5 mp -71.38 -29.14 64.6 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.069 -0.514 . . . . 72.510000000000005 110.885 -179.965 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 18' ' ' ILE . . . . . . . . . . . . . 24.2 mt -65.27 -49.62 77.89 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.223 -0.444 . . . . 74.140000000000001 111.108 179.849 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 4.9 t-20 -55.81 -29.81 60.35 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.189 -0.46 . . . . 65.049999999999997 110.865 179.981 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 20' ' ' ALA . . . . . 0.586 ' HB3' HD23 ' A' ' 22' ' ' LEU . . . -64.94 -20.15 66.32 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.221 -0.445 . . . . 70.329999999999998 111.131 179.837 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . 95.94 17.71 34.31 Favored Glycine 0 N--CA 1.451 -0.362 0 C-N-CA 120.757 -0.735 . . . . 72.319999999999993 112.492 -179.952 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 22' ' ' LEU . . . . . 0.586 HD23 ' HB3' ' A' ' 20' ' ' ALA . 4.5 mm? -74.85 135.37 41.58 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-O 120.862 0.363 . . . . 71.209999999999994 110.905 -179.915 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 36.1 p -76.78 157.0 31.92 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.198 -0.455 . . . . 62.43 111.129 179.942 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 24' ' ' VAL . . . . . 0.406 HG11 ' OG1' ' A' ' 43' ' ' THR . 19.5 m -51.3 -30.44 10.27 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.186 -0.461 . . . . 53.310000000000002 111.167 179.904 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . -57.61 -46.54 91.99 Favored Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.711 -0.757 . . . . 74.209999999999994 112.489 179.987 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 2.8 m -70.8 -26.96 63.56 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.816 0.341 . . . . 54.340000000000003 110.84 -179.739 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 41.5 mm -60.27 -41.38 86.82 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 116.163 -0.471 . . . . 75.349999999999994 111.146 179.906 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 28' ' ' ILE . . . . . . . . . . . . . 41.0 mt -60.72 -43.9 96.11 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.178 -0.464 . . . . 64.299999999999997 111.167 179.841 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 2.8 t -63.92 -45.36 89.61 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.189 -0.459 . . . . 71.519999999999996 110.829 -179.915 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 30' ' ' ILE . . . . . . . . . . . . . 45.4 mm -70.02 -27.17 31.68 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.156 -0.475 . . . . 73.510000000000005 111.121 179.969 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 31' ' ' LEU . . . . . 0.643 HD11 HD11 ' A' ' 38' ' ' LEU . 0.3 OUTLIER -57.96 -22.84 51.12 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.156 -0.474 . . . . 73.549999999999997 110.935 179.907 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . 88.19 29.88 18.57 Favored Glycine 0 N--CA 1.452 -0.292 0 C-N-CA 120.712 -0.756 . . . . 74.439999999999998 112.526 179.93 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . 157.65 141.88 3.27 Favored Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 120.783 -0.722 . . . . 71.239999999999995 112.494 -179.907 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 34' ' ' VAL . . . . . 0.465 ' O ' HG23 ' A' ' 34' ' ' VAL . 8.2 m -69.72 101.88 0.76 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-O 120.89 0.376 . . . . 64.430000000000007 111.177 180.0 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 35' ' ' THR . . . . . 0.617 HG21 ' HG ' ' A' ' 38' ' ' LEU . 8.7 t -81.81 -36.68 28.11 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.188 -0.46 . . . . 65.099999999999994 111.148 -179.949 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 36' ' ' VAL . . . . . . . . . . . . . 22.1 t 50.44 65.63 0.17 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.224 -0.444 . . . . 64.349999999999994 111.164 179.908 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 174.03 -65.98 0.11 Allowed Glycine 0 N--CA 1.452 -0.299 0 C-N-CA 120.735 -0.745 . . . . 74.040000000000006 112.485 -179.995 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 38' ' ' LEU . . . . . 0.643 HD11 HD11 ' A' ' 31' ' ' LEU . 1.5 pp -59.78 -20.26 55.6 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-O 120.833 0.349 . . . . 72.439999999999998 110.912 -179.894 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -69.98 -43.83 70.67 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.163 -0.471 . . . . 72.340000000000003 110.84 -179.886 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . -60.49 -29.08 68.57 Favored Glycine 0 N--CA 1.451 -0.308 0 C-N-CA 120.745 -0.74 . . . . 75.530000000000001 112.447 -179.974 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 41' ' ' VAL . . . . . . . . . . . . . 7.2 p -93.12 -21.51 6.08 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.258 0 CA-C-O 120.831 0.348 . . . . 63.439999999999998 111.134 -179.962 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 42' ' ' PHE . . . . . . . . . . . . . 17.7 t80 -51.84 -45.85 64.15 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.224 -0.444 . . . . 74.010000000000005 110.9 179.949 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 43' ' ' THR . . . . . 0.406 ' OG1' HG11 ' A' ' 24' ' ' VAL . 0.5 OUTLIER -54.65 -46.59 73.98 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.114 -0.494 . . . . 53.340000000000003 111.153 -179.923 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -58.85 -33.76 70.81 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.236 -0.438 . . . . 75.230000000000004 111.14 179.832 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 45' ' ' VAL . . . . . 0.755 HG22 HD23 ' A' ' 60' ' ' LEU . 93.7 t -70.79 -46.96 66.16 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.234 -0.439 . . . . 70.200000000000003 111.1 179.972 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 8.6 tmtt? -57.79 -48.48 79.56 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.169 -0.469 . . . . 74.25 110.864 179.954 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -59.13 -35.19 73.05 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.28 -0.418 . . . . 73.409999999999997 111.118 179.833 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -57.4 -28.23 63.05 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.189 -0.459 . . . . 31.239999999999998 111.078 179.961 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 49' ' ' ILE . . . . . . . . . . . . . 72.8 mt -56.5 -56.02 16.06 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.233 -0.439 . . . . 71.239999999999995 111.122 -179.999 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -65.82 -23.57 66.72 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.182 -0.463 . . . . 51.140000000000001 111.115 179.833 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 1.5 tppp? -76.94 -36.6 56.45 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.189 -0.459 . . . . 53.420000000000002 110.86 179.986 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 52' ' ' GLN . . . . . . . . . . . . . 2.9 mp0 -135.92 -69.85 0.48 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.251 -0.431 . . . . 72.219999999999999 110.914 179.974 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . 175.12 155.45 12.57 Favored Glycine 0 N--CA 1.451 -0.344 0 C-N-CA 120.731 -0.747 . . . . 44.030000000000001 112.489 -179.98 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 54' ' ' ILE . . . . . . . . . . . . . 23.4 pt -51.42 -31.27 11.79 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-O 120.969 0.414 . . . . 73.129999999999995 111.158 179.992 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -56.6 -36.86 69.89 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.149 -0.478 . . . . 73.329999999999998 110.887 179.878 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 47.6 mmtt -66.24 -40.65 90.37 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.218 -0.446 . . . . 62.240000000000002 110.916 179.878 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -55.76 -34.96 65.69 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.202 -0.453 . . . . 73.519999999999996 111.09 179.857 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 58' ' ' ILE . . . . . 0.521 ' O ' HG23 ' A' ' 2' ' ' VAL . 71.4 mt -60.63 -57.58 11.36 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.247 -0.433 . . . . 72.409999999999997 111.12 179.924 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 59' ' ' GLN . . . . . . . . . . . . . 75.0 mm-40 -57.07 -31.71 65.5 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.171 -0.468 . . . . 71.340000000000003 110.905 179.962 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 60' ' ' LEU . . . . . 0.755 HD23 HG22 ' A' ' 45' ' ' VAL . 1.1 mp . . . . . 0 C--N 1.329 -0.312 0 CA-C-N 116.263 -0.426 . . . . 75.310000000000002 110.849 -179.962 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 1' ' ' LEU . . . . . 0.421 HD22 HG13 ' A' ' 6' ' ' ILE . 58.9 mt . . . . . 0 C--O 1.231 0.104 0 CA-C-O 120.838 0.351 . . . . 72.200000000000003 110.915 . . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 2' ' ' VAL . . . . . 0.475 HG23 ' O ' ' A' ' 58' ' ' ILE . 92.5 t -62.96 -48.91 85.76 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.163 -0.471 . . . . 72.450000000000003 111.128 179.827 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . -63.84 -32.63 74.21 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.227 -0.442 . . . . 45.100000000000001 111.074 179.869 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 4' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER -74.43 -50.93 16.45 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.225 -0.443 . . . . 75.049999999999997 110.929 -179.817 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . 160.11 55.5 0.01 OUTLIER Glycine 0 N--CA 1.452 -0.286 0 C-N-CA 120.677 -0.773 . . . . 71.040000000000006 112.427 179.998 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 6' ' ' ILE . . . . . 0.604 HD11 HD12 ' A' ' 38' ' ' LEU . 41.5 mm -134.35 144.39 35.32 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-O 120.826 0.346 . . . . 72.040000000000006 111.108 -179.999 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 7' ' ' ALA . . . . . 0.769 ' HB3' ' HB ' ' A' ' 10' ' ' THR . . . -51.48 144.61 9.99 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.155 -0.475 . . . . 73.400000000000006 111.072 179.804 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 6.3 tp-100 -67.35 -57.04 7.34 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.152 -0.477 . . . . 72.109999999999999 110.925 -179.92 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -67.63 -33.99 82.44 Favored Glycine 0 N--CA 1.452 -0.284 0 C-N-CA 120.743 -0.741 . . . . 73.040000000000006 112.477 -179.997 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 10' ' ' THR . . . . . 0.769 ' HB ' ' HB3' ' A' ' 7' ' ' ALA . 7.4 m -77.1 -25.65 52.47 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.734 0.302 . . . . 75.540000000000006 111.085 -179.853 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 11' ' ' ALA . . . . . 0.643 ' O ' HG23 ' A' ' 15' ' ' VAL . . . -50.96 -38.73 52.53 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.264 -0.425 . . . . 60.119999999999997 111.097 179.858 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 9.1 tt0 -71.82 -33.55 68.6 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.217 -0.447 . . . . 73.340000000000003 110.886 -179.912 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 51.9 mttp -69.32 -54.47 14.42 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.172 -0.467 . . . . 72.219999999999999 110.874 179.976 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 15.3 m -52.65 -41.31 37.3 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.247 -0.433 . . . . 65.430000000000007 111.098 179.904 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 15' ' ' VAL . . . . . 0.643 HG23 ' O ' ' A' ' 11' ' ' ALA . 63.6 t -59.48 -43.93 91.73 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.158 -0.474 . . . . 75.109999999999999 111.144 179.919 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 4.0 t -53.68 -34.57 59.14 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.169 -0.469 . . . . 63.509999999999998 110.88 -179.905 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 1.5 mt -71.54 -28.47 63.89 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.108 -0.497 . . . . 74.030000000000001 110.939 -179.989 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 18' ' ' ILE . . . . . . . . . . . . . 17.7 mt -65.52 -34.36 69.92 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.194 -0.457 . . . . 64.200000000000003 111.102 179.868 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 17.9 t-20 -57.4 -23.94 52.39 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.227 -0.442 . . . . 63.439999999999998 110.862 179.943 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -64.83 -20.03 66.18 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.202 -0.454 . . . . 64.340000000000003 111.093 179.872 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . 81.63 7.85 87.63 Favored Glycine 0 N--CA 1.452 -0.277 0 C-N-CA 120.726 -0.75 . . . . 72.439999999999998 112.465 -179.963 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 22' ' ' LEU . . . . . 0.569 HD12 ' OG ' ' A' ' 26' ' ' SER . 1.6 pt? -69.96 169.31 13.54 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.909 0.385 . . . . 73.239999999999995 110.913 -179.88 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 12.2 p -84.04 149.15 26.44 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.192 -0.458 . . . . 72.409999999999997 111.142 179.952 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 6.7 p -51.4 -33.03 13.86 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.227 -0.442 . . . . 75.340000000000003 111.129 179.903 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . -53.34 -35.1 49.6 Favored Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.722 -0.752 . . . . 75.530000000000001 112.494 -179.998 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 26' ' ' SER . . . . . 0.569 ' OG ' HD12 ' A' ' 22' ' ' LEU . 22.1 t -70.7 -27.03 63.69 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.834 0.35 . . . . 75.209999999999994 110.837 -179.787 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 38.1 mm -60.28 -49.28 84.8 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.152 -0.476 . . . . 71.549999999999997 111.124 179.942 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 28' ' ' ILE . . . . . 0.529 HD11 ' CB ' ' A' ' 39' ' ' SER . 59.9 mt -60.5 -40.63 84.94 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.194 -0.457 . . . . 65.430000000000007 111.176 179.876 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 2.4 t -55.49 -39.19 70.13 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.14 -0.482 . . . . 63.340000000000003 110.834 -179.906 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 30' ' ' ILE . . . . . . . . . . . . . 50.7 mm -74.45 -24.5 18.77 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-N 116.114 -0.494 . . . . 65.209999999999994 111.143 179.94 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 31' ' ' LEU . . . . . 0.941 HD22 HG21 ' A' ' 35' ' ' THR . 6.4 mt -78.48 -27.06 46.2 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.152 -0.477 . . . . 55.229999999999997 110.921 179.898 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . 128.04 -38.04 2.17 Favored Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.759 -0.734 . . . . 30.149999999999999 112.503 179.948 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 33' ' ' GLY . . . . . 0.573 ' O ' HG13 ' A' ' 36' ' ' VAL . . . 124.31 -23.63 6.4 Favored Glycine 0 N--CA 1.451 -0.353 0 C-N-CA 120.8 -0.714 . . . . 42.530000000000001 112.51 -179.918 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 34' ' ' VAL . . . . . . . . . . . . . 25.1 m -77.57 -13.03 14.09 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-O 120.899 0.381 . . . . 75.5 111.141 -179.976 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 35' ' ' THR . . . . . 0.941 HG21 HD22 ' A' ' 31' ' ' LEU . 80.6 p -87.27 8.17 25.37 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.133 -0.485 . . . . 73.200000000000003 111.12 -179.997 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 36' ' ' VAL . . . . . 0.573 HG13 ' O ' ' A' ' 33' ' ' GLY . 4.4 m -53.16 101.47 0.04 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.237 -0.438 . . . . 64.25 111.14 179.915 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 165.95 -45.99 0.27 Allowed Glycine 0 N--CA 1.451 -0.323 0 C-N-CA 120.767 -0.73 . . . . 72.329999999999998 112.494 -179.994 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 38' ' ' LEU . . . . . 0.604 HD12 HD11 ' A' ' 6' ' ' ILE . 2.0 pt? -66.2 -18.18 65.19 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-O 120.83 0.348 . . . . 73.430000000000007 110.921 -179.918 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 39' ' ' SER . . . . . 0.529 ' CB ' HD11 ' A' ' 28' ' ' ILE . 1.9 t -57.17 -23.83 50.18 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.191 -0.459 . . . . 71.439999999999998 110.863 -179.954 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . -74.24 -24.12 74.15 Favored Glycine 0 N--CA 1.451 -0.333 0 C-N-CA 120.701 -0.762 . . . . 71.329999999999998 112.496 -179.975 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 41' ' ' VAL . . . . . 0.448 HG22 ' O ' ' A' ' 38' ' ' LEU . 35.0 m -105.18 -24.39 4.06 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-O 120.854 0.359 . . . . 72.519999999999996 111.164 179.978 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 42' ' ' PHE . . . . . . . . . . . . . 11.9 t80 -54.13 -54.48 39.02 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.174 -0.466 . . . . 72.530000000000001 110.903 -179.975 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 1.1 m -54.01 -43.11 69.78 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.102 -0.499 . . . . 53.219999999999999 111.154 -179.923 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -59.86 -40.54 88.96 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.229 -0.441 . . . . 41.5 111.089 179.875 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 45' ' ' VAL . . . . . 0.609 HG22 HD23 ' A' ' 60' ' ' LEU . 89.2 t -70.54 -33.69 54.4 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.24 -0.436 . . . . 64.140000000000001 111.115 -180.0 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 19.0 ttpt -55.89 -52.97 62.21 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.203 -0.453 . . . . 75.439999999999998 110.875 179.927 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -57.38 -32.75 67.1 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.205 -0.452 . . . . 74.219999999999999 111.097 179.849 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 48' ' ' ALA . . . . . 0.414 ' HB3' ' O ' ' A' ' 45' ' ' VAL . . . -58.01 -31.12 66.65 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.197 -0.456 . . . . 74.310000000000002 111.102 179.945 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 49' ' ' ILE . . . . . . . . . . . . . 79.9 mt -56.38 -55.82 16.93 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.361 0 CA-C-N 116.222 -0.445 . . . . 72.420000000000002 111.142 179.993 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -62.31 -24.38 67.27 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.149 -0.478 . . . . 73.230000000000004 111.128 179.764 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 1.3 mmmm -77.11 -45.98 25.08 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.208 -0.451 . . . . 72.420000000000002 110.891 -179.998 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 52' ' ' GLN . . . . . . . . . . . . . 29.0 mm-40 -122.12 -72.83 0.67 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.198 -0.456 . . . . 65.209999999999994 110.896 179.966 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . 173.73 154.82 11.04 Favored Glycine 0 N--CA 1.451 -0.364 0 C-N-CA 120.802 -0.713 . . . . 63.119999999999997 112.55 -179.964 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 54' ' ' ILE . . . . . . . . . . . . . 17.5 pt -51.77 -34.78 16.93 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-O 120.911 0.386 . . . . 63.329999999999998 111.153 -179.938 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 13.0 ptpt -56.75 -45.17 82.18 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.124 -0.489 . . . . 74.209999999999994 110.914 179.795 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 3.0 mmmp? -66.18 -36.96 84.46 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.199 -0.455 . . . . 72.299999999999997 110.874 179.91 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -56.83 -32.98 66.29 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.238 -0.437 . . . . 72.519999999999996 111.056 179.858 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 58' ' ' ILE . . . . . 0.475 ' O ' HG23 ' A' ' 2' ' ' VAL . 77.8 mt -56.44 -59.46 2.89 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.212 -0.449 . . . . 64.450000000000003 111.086 -179.995 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 59' ' ' GLN . . . . . . . . . . . . . 33.1 mm-40 -54.8 -31.01 58.5 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.204 -0.453 . . . . 71.329999999999998 110.881 180.0 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 60' ' ' LEU . . . . . 0.609 HD23 HG22 ' A' ' 45' ' ' VAL . 1.2 mp . . . . . 0 C--N 1.328 -0.344 0 CA-C-N 116.196 -0.456 . . . . 51.109999999999999 110.899 -179.941 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 1' ' ' LEU . . . . . . . . . . . . . 1.7 mp . . . . . 0 C--O 1.231 0.109 0 CA-C-O 120.886 0.374 . . . . 75.349999999999994 110.926 . . . . . . . . . 0 0 . 1 . 007 nuclear build core ' A' A ' 2' ' ' VAL . . . . . 0.496 HG23 ' O ' ' A' ' 58' ' ' ILE . 25.5 t -62.95 -49.96 81.51 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.179 -0.464 . . . . 75.239999999999995 111.114 179.837 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . -64.18 -29.75 70.84 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.202 -0.454 . . . . 74.549999999999997 111.135 179.874 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 4' ' ' TYR . . . . . . . . . . . . . 1.7 m-85 -74.08 -48.5 29.38 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.178 -0.464 . . . . 70.319999999999993 110.933 -179.882 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . 160.68 -27.67 0.31 Allowed Glycine 0 N--CA 1.451 -0.335 0 C-N-CA 120.815 -0.707 . . . . 75.129999999999995 112.552 -179.988 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 50.0 mm -57.81 128.19 18.01 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-O 120.848 0.356 . . . . 71.420000000000002 111.144 179.993 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -51.41 132.0 29.21 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.151 -0.477 . . . . 65.420000000000002 111.144 179.817 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 3.4 pm0 -62.38 -32.03 72.78 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.224 -0.443 . . . . 45.409999999999997 110.859 -179.893 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -63.45 -51.14 56.78 Favored Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.752 -0.737 . . . . 63.020000000000003 112.479 -179.972 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 10' ' ' THR . . . . . 0.698 ' O ' HG23 ' A' ' 14' ' ' VAL . 93.1 m -77.11 -32.22 56.4 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-O 120.771 0.32 . . . . 72.140000000000001 111.123 -179.829 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 11' ' ' ALA . . . . . 0.75 ' O ' HG23 ' A' ' 15' ' ' VAL . . . -52.04 -44.69 64.35 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.23 -0.441 . . . . 72.409999999999997 111.068 179.851 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 60.6 mt-10 -52.19 -51.43 58.16 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.238 -0.437 . . . . 75.109999999999999 110.88 -179.92 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 46.5 mttp -67.53 -38.48 84.29 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.195 -0.457 . . . . 70.140000000000001 110.93 179.947 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 14' ' ' VAL . . . . . 0.698 HG23 ' O ' ' A' ' 10' ' ' THR . 99.3 t -60.21 -34.98 59.13 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.191 -0.459 . . . . 73.129999999999995 111.117 179.887 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 15' ' ' VAL . . . . . 0.75 HG23 ' O ' ' A' ' 11' ' ' ALA . 97.9 t -55.45 -44.51 76.25 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.164 -0.471 . . . . 72.150000000000006 111.15 179.947 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 27.9 t -53.22 -35.34 59.8 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.132 -0.486 . . . . 71.5 110.843 -179.819 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 5.0 mp -71.37 -36.43 71.45 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.107 -0.497 . . . . 74.150000000000006 110.868 -179.974 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 18' ' ' ILE . . . . . . . . . . . . . 33.6 mt -64.98 -49.76 78.15 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.179 -0.464 . . . . 50.32 111.164 179.817 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 34.1 t30 -58.28 -28.52 65.06 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.147 -0.479 . . . . 75.420000000000002 110.855 179.997 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 20' ' ' ALA . . . . . 0.613 ' HB3' HD23 ' A' ' 22' ' ' LEU . . . -65.37 -20.12 66.25 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.211 -0.45 . . . . 65.030000000000001 111.087 179.868 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . 96.75 19.63 26.51 Favored Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 120.708 -0.758 . . . . 74.319999999999993 112.519 -179.911 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 22' ' ' LEU . . . . . 0.613 HD23 ' HB3' ' A' ' 20' ' ' ALA . 4.4 mm? -74.82 136.29 41.6 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.897 0.379 . . . . 75.439999999999998 110.898 -179.935 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 3.1 p -77.26 156.73 31.22 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.23 -0.441 . . . . 73.299999999999997 111.141 179.905 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 19.6 m -51.49 -30.47 10.96 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.215 -0.448 . . . . 61.329999999999998 111.104 179.948 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . -58.97 -46.25 93.95 Favored Glycine 0 N--CA 1.451 -0.303 0 C-N-CA 120.73 -0.748 . . . . 23.350000000000001 112.477 179.981 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 2.7 m -66.81 -31.36 71.94 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.868 0.366 . . . . 74.209999999999994 110.875 -179.729 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 36.9 mm -60.4 -55.06 26.85 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.116 -0.493 . . . . 74.219999999999999 111.103 179.958 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 28' ' ' ILE . . . . . 0.722 HG23 ' OG1' ' A' ' 35' ' ' THR . 46.3 mm -60.47 -38.42 77.93 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.204 -0.453 . . . . 50.350000000000001 111.111 179.892 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 22.7 t -55.56 -31.31 62.05 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.166 -0.47 . . . . 71.409999999999997 110.829 -179.882 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 30' ' ' ILE . . . . . . . . . . . . . 44.4 mt -77.15 -49.02 23.72 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.346 0 CA-C-N 116.155 -0.475 . . . . 74.310000000000002 111.122 179.966 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 31' ' ' LEU . . . . . 0.761 ' HG ' HG21 ' A' ' 35' ' ' THR . 4.1 mm? -51.95 -39.03 58.6 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.187 -0.461 . . . . 73.420000000000002 110.96 179.86 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . 53.49 57.97 13.75 Favored Glycine 0 N--CA 1.451 -0.3 0 C-N-CA 120.768 -0.729 . . . . 72.450000000000003 112.48 179.888 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -168.45 -165.87 26.57 Favored Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.76 -0.733 . . . . 74.109999999999999 112.512 -179.9 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 34' ' ' VAL . . . . . . . . . . . . . 15.5 t -77.55 59.35 0.12 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-O 120.95 0.405 . . . . 74.439999999999998 111.145 -179.961 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 35' ' ' THR . . . . . 0.761 HG21 ' HG ' ' A' ' 31' ' ' LEU . 0.7 OUTLIER -87.01 7.18 28.76 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.132 -0.486 . . . . 61.049999999999997 111.113 -179.945 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 36' ' ' VAL . . . . . 0.451 HG13 ' O ' ' A' ' 36' ' ' VAL . 2.6 p -54.95 100.75 0.05 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.256 -0.429 . . . . 71.519999999999996 111.152 179.893 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 137.84 -31.54 2.46 Favored Glycine 0 N--CA 1.451 -0.361 0 C-N-CA 120.767 -0.73 . . . . 72.329999999999998 112.529 179.99 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 38' ' ' LEU . . . . . 0.601 ' O ' HD12 ' A' ' 38' ' ' LEU . 2.9 tp -66.65 -39.9 88.43 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.799 0.333 . . . . 74.549999999999997 110.938 -179.972 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 93.4 p -58.93 -25.55 63.58 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.165 -0.471 . . . . 61.009999999999998 110.887 -179.969 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . -61.4 -39.0 96.67 Favored Glycine 0 N--CA 1.451 -0.336 0 C-N-CA 120.734 -0.746 . . . . 72.239999999999995 112.466 -179.962 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 41' ' ' VAL . . . . . 0.679 ' O ' HG23 ' A' ' 45' ' ' VAL . 32.2 m -93.54 -24.86 5.0 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-O 120.868 0.366 . . . . 64.409999999999997 111.147 -179.965 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 42' ' ' PHE . . . . . . . . . . . . . 3.6 t80 -56.37 -51.32 68.73 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.172 -0.467 . . . . 74.540000000000006 110.888 -179.985 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 4.3 t -54.09 -41.1 67.87 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.163 -0.471 . . . . 64.120000000000005 111.159 -179.914 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -66.39 -33.59 76.05 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.171 -0.468 . . . . 53.200000000000003 111.126 179.81 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 45' ' ' VAL . . . . . 0.679 HG23 ' O ' ' A' ' 41' ' ' VAL . 62.6 t -63.56 -45.89 96.45 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.217 -0.447 . . . . 63.149999999999999 111.124 -179.987 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 30.3 tttm -51.91 -41.42 61.96 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.186 -0.461 . . . . 74.310000000000002 110.898 179.924 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -63.45 -35.36 80.17 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.209 -0.45 . . . . 73.299999999999997 111.107 179.807 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -61.1 -36.4 79.6 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.228 -0.442 . . . . 73.5 111.105 179.933 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 49' ' ' ILE . . . . . . . . . . . . . 75.7 mt -56.48 -56.05 15.88 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.241 -0.436 . . . . 52.310000000000002 111.14 179.967 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -65.57 -24.1 67.01 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.189 -0.46 . . . . 71.239999999999995 111.111 179.82 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 38.3 tttt -76.94 -34.92 57.61 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.189 -0.459 . . . . 72.329999999999998 110.911 179.976 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 52' ' ' GLN . . . . . . . . . . . . . 22.6 mm100 -136.81 -73.43 0.43 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.19 -0.459 . . . . 75.319999999999993 110.949 179.951 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . 178.47 154.18 12.35 Favored Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.764 -0.732 . . . . 55.119999999999997 112.483 -179.982 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 54' ' ' ILE . . . . . 0.411 ' O ' ' HB3' ' A' ' 57' ' ' ALA . 35.3 pt -51.42 -30.28 10.47 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-O 120.934 0.397 . . . . 71.310000000000002 111.134 179.989 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -52.06 -47.24 65.22 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.197 -0.456 . . . . 71.200000000000003 110.872 179.899 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 3.8 mttp -66.1 -28.53 68.89 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.223 -0.444 . . . . 73.120000000000005 110.945 179.837 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 57' ' ' ALA . . . . . 0.411 ' HB3' ' O ' ' A' ' 54' ' ' ILE . . . -62.96 -34.44 77.51 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.15 -0.477 . . . . 72.430000000000007 111.126 179.842 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 58' ' ' ILE . . . . . 0.496 ' O ' HG23 ' A' ' 2' ' ' VAL . 63.4 mt -61.91 -59.86 3.63 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.231 -0.44 . . . . 74.329999999999998 111.148 179.933 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 59' ' ' GLN . . . . . . . . . . . . . 3.8 pt20 -55.26 -26.98 43.3 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.131 -0.486 . . . . 75.530000000000001 110.943 179.942 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 60' ' ' LEU . . . . . 0.665 HD23 HG22 ' A' ' 45' ' ' VAL . 1.0 OUTLIER . . . . . 0 C--N 1.329 -0.32 0 CA-C-N 116.184 -0.462 . . . . 74.530000000000001 110.94 179.999 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 1' ' ' LEU . . . . . 0.478 HD22 HG13 ' A' ' 6' ' ' ILE . 58.7 mt . . . . . 0 C--O 1.232 0.138 0 CA-C-O 120.906 0.384 . . . . 74.5 110.931 . . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 2' ' ' VAL . . . . . 0.596 HG22 ' HA ' ' A' ' 8' ' ' GLN . 97.6 t -63.19 -49.22 84.06 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.21 -0.45 . . . . 74.420000000000002 111.111 179.89 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . -64.06 -28.62 69.91 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.197 -0.456 . . . . 65.040000000000006 111.103 179.857 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 4' ' ' TYR . . . . . 0.729 ' CZ ' HG11 ' A' ' 41' ' ' VAL . 0.2 OUTLIER -73.92 -51.06 17.31 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.238 -0.437 . . . . 73.430000000000007 110.906 -179.871 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . 164.87 -25.22 0.18 Allowed Glycine 0 N--CA 1.451 -0.309 0 C-N-CA 120.737 -0.744 . . . . 71.319999999999993 112.481 179.962 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 6' ' ' ILE . . . . . 0.478 HG13 HD22 ' A' ' 1' ' ' LEU . 50.3 mm -56.71 139.4 16.24 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-O 120.761 0.315 . . . . 74.239999999999995 111.182 179.999 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 7' ' ' ALA . . . . . 0.471 ' O ' ' HB2' ' A' ' 11' ' ' ALA . . . -51.46 142.93 12.83 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.222 -0.445 . . . . 52.229999999999997 111.058 179.831 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 8' ' ' GLN . . . . . 0.596 ' HA ' HG22 ' A' ' 2' ' ' VAL . 5.1 pt20 -68.09 -43.19 79.09 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.198 -0.455 . . . . 73.040000000000006 110.891 -179.948 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -69.11 -42.26 77.35 Favored Glycine 0 N--CA 1.451 -0.337 0 C-N-CA 120.715 -0.755 . . . . 51.409999999999997 112.484 -179.956 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 25.7 m -76.36 -25.64 54.88 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.798 0.332 . . . . 74.239999999999995 111.163 -179.874 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 11' ' ' ALA . . . . . 0.658 ' O ' HG23 ' A' ' 15' ' ' VAL . . . -51.05 -38.74 53.36 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.213 -0.449 . . . . 62.109999999999999 111.08 179.846 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 3.8 tt0 -71.85 -33.39 68.39 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.21 -0.45 . . . . 72.200000000000003 110.881 -179.934 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 25.3 tttp -69.43 -54.46 14.27 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.167 -0.47 . . . . 72.510000000000005 110.874 179.992 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 15.3 m -52.54 -41.23 36.04 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.225 -0.443 . . . . 72.25 111.122 179.878 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 15' ' ' VAL . . . . . 0.658 HG23 ' O ' ' A' ' 11' ' ' ALA . 59.7 t -58.61 -45.11 90.71 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.128 -0.487 . . . . 73.519999999999996 111.131 179.946 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 4.2 t -54.01 -33.95 58.56 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.138 -0.483 . . . . 65.150000000000006 110.889 -179.87 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 17' ' ' LEU . . . . . 0.722 HD12 HD21 ' A' ' 22' ' ' LEU . 0.2 OUTLIER -71.52 -28.01 63.59 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.085 -0.507 . . . . 54.399999999999999 110.978 179.993 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 18' ' ' ILE . . . . . 0.404 HD11 ' CZ ' ' A' ' 42' ' ' PHE . 17.4 mt -65.41 -32.49 58.44 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.138 -0.483 . . . . 71.109999999999999 111.144 179.807 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 19.3 t30 -59.01 -21.24 58.72 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.155 -0.475 . . . . 74.319999999999993 110.913 179.944 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -64.75 -20.0 66.1 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.185 -0.461 . . . . 74.219999999999999 111.098 179.843 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . 90.01 -7.28 81.94 Favored Glycine 0 N--CA 1.452 -0.295 0 C-N-CA 120.736 -0.745 . . . . 44.549999999999997 112.481 -179.954 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 22' ' ' LEU . . . . . 0.722 HD21 HD12 ' A' ' 17' ' ' LEU . 4.2 pp -67.45 146.5 53.93 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 120.891 0.377 . . . . 75.109999999999999 110.913 -179.943 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 2.3 p -76.61 170.79 15.77 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.168 -0.469 . . . . 70.530000000000001 111.163 179.919 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 24' ' ' VAL . . . . . 0.581 HG11 ' OG1' ' A' ' 43' ' ' THR . 26.3 m -51.82 -28.91 10.16 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-N 116.232 -0.44 . . . . 74.439999999999998 111.152 179.883 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . -52.81 -39.69 55.9 Favored Glycine 0 N--CA 1.451 -0.349 0 C-N-CA 120.729 -0.748 . . . . 54.340000000000003 112.488 -179.981 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 26' ' ' SER . . . . . 0.686 ' HB3' HD13 ' A' ' 22' ' ' LEU . 0.3 OUTLIER -70.55 -32.92 70.54 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.83 0.348 . . . . 75.209999999999994 110.857 -179.78 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 33.1 mm -60.6 -46.1 96.2 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.137 -0.483 . . . . 74.540000000000006 111.114 179.95 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 28' ' ' ILE . . . . . 0.825 HD13 HG23 ' A' ' 35' ' ' THR . 36.5 mm -60.5 -35.39 62.83 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.198 -0.455 . . . . 62.420000000000002 111.063 179.92 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 14.7 m -63.42 -31.1 72.16 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.201 -0.454 . . . . 64.109999999999999 110.844 -179.843 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 30' ' ' ILE . . . . . . . . . . . . . 50.0 mm -72.7 -60.49 2.37 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.139 -0.482 . . . . 72.25 111.107 179.971 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 4.4 mm? -58.29 -42.07 85.8 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.173 -0.467 . . . . 72.299999999999997 110.909 179.906 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . 119.33 -18.02 10.31 Favored Glycine 0 N--CA 1.451 -0.31 0 C-N-CA 120.716 -0.754 . . . . 72.150000000000006 112.488 179.911 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . 136.26 -5.74 3.91 Favored Glycine 0 N--CA 1.451 -0.332 0 C-N-CA 120.705 -0.76 . . . . 45.439999999999998 112.48 -179.87 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 34' ' ' VAL . . . . . . . . . . . . . 41.2 t -69.96 -34.87 61.81 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-O 120.92 0.39 . . . . 61.200000000000003 111.157 179.997 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 35' ' ' THR . . . . . 0.825 HG23 HD13 ' A' ' 28' ' ' ILE . 8.9 t -87.81 10.08 19.68 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.192 -0.458 . . . . 72.450000000000003 111.18 179.999 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 36' ' ' VAL . . . . . 0.549 ' HA ' HD12 ' A' ' 28' ' ' ILE . 12.1 p -53.35 -26.72 13.06 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.226 -0.443 . . . . 71.519999999999996 111.1 179.96 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . -89.12 -40.78 6.04 Favored Glycine 0 N--CA 1.451 -0.352 0 C-N-CA 120.768 -0.729 . . . . 54.0 112.482 179.998 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 38' ' ' LEU . . . . . 0.46 ' O ' HG22 ' A' ' 41' ' ' VAL . 4.3 mm? -66.28 -29.14 69.3 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-O 120.833 0.349 . . . . 64.010000000000005 110.918 -179.923 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 39' ' ' SER . . . . . 0.731 ' HB3' HD11 ' A' ' 28' ' ' ILE . 4.4 p -54.7 -26.99 37.25 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.166 -0.47 . . . . 74.329999999999998 110.822 -179.876 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . -52.05 -31.82 33.78 Favored Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.8 -0.714 . . . . 73.450000000000003 112.453 -179.967 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 41' ' ' VAL . . . . . 0.743 ' O ' HG23 ' A' ' 45' ' ' VAL . 26.9 m -105.1 -22.79 4.7 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-O 120.873 0.368 . . . . 73.049999999999997 111.13 -179.958 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 42' ' ' PHE . . . . . 0.404 ' CZ ' HD11 ' A' ' 18' ' ' ILE . 12.2 t80 -51.64 -43.13 62.51 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.143 -0.481 . . . . 63.509999999999998 110.844 -179.941 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 43' ' ' THR . . . . . 0.581 ' OG1' HG11 ' A' ' 24' ' ' VAL . 0.2 OUTLIER -58.98 -47.58 84.65 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.17 -0.468 . . . . 65.200000000000003 111.146 -179.897 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -66.52 -29.46 69.56 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.242 -0.435 . . . . 45.130000000000003 111.086 179.846 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 45' ' ' VAL . . . . . 0.743 HG23 ' O ' ' A' ' 41' ' ' VAL . 97.7 t -63.59 -38.59 82.66 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.25 -0.432 . . . . 52.149999999999999 111.143 179.988 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 41.9 tttm -51.91 -46.97 64.8 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.186 -0.461 . . . . 74.219999999999999 110.938 179.894 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -63.55 -30.91 71.96 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.225 -0.443 . . . . 62.409999999999997 111.114 179.835 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 48' ' ' ALA . . . . . 0.45 ' HB3' ' O ' ' A' ' 45' ' ' VAL . . . -57.28 -40.44 77.75 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.165 -0.471 . . . . 50.340000000000003 111.079 179.933 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 49' ' ' ILE . . . . . . . . . . . . . 73.6 mt -56.35 -55.67 17.7 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.234 -0.439 . . . . 72.319999999999993 111.148 179.963 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -63.86 -24.78 67.88 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.135 -0.484 . . . . 73.219999999999999 111.09 179.814 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 3.7 tppt? -77.02 -37.45 54.92 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.223 -0.444 . . . . 74.129999999999995 110.879 179.979 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 52' ' ' GLN . . . . . . . . . . . . . 53.4 mt-30 -131.98 -74.35 0.51 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.272 -0.422 . . . . 61.229999999999997 110.903 179.996 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . 175.5 153.3 10.16 Favored Glycine 0 N--CA 1.45 -0.373 0 C-N-CA 120.79 -0.719 . . . . 62.210000000000001 112.515 -179.967 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 54' ' ' ILE . . . . . . . . . . . . . 16.4 pt -51.83 -35.45 17.97 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-O 120.917 0.389 . . . . 70.549999999999997 111.112 -179.947 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 8.9 ptpp? -56.2 -44.85 79.88 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.156 -0.475 . . . . 73.340000000000003 110.883 179.866 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 21.2 mmmt -65.7 -38.4 89.13 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.247 -0.433 . . . . 54.020000000000003 110.903 179.857 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -56.92 -32.95 66.46 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.207 -0.451 . . . . 63.310000000000002 111.133 179.814 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 58' ' ' ILE . . . . . 0.4 ' O ' HG23 ' A' ' 2' ' ' VAL . 78.5 mt -58.8 -58.69 5.68 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.205 -0.452 . . . . 71.329999999999998 111.182 179.946 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 59' ' ' GLN . . . . . . . . . . . . . 52.1 mt-30 -51.75 -33.11 33.38 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.107 -0.497 . . . . 75.409999999999997 110.891 179.937 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 1.2 mp . . . . . 0 C--N 1.329 -0.322 0 CA-C-N 116.185 -0.462 . . . . 72.200000000000003 110.94 -179.992 . . . . . . . . 0 0 . 1 . 009 nuclear build core ' A' A ' 1' ' ' LEU . . . . . . . . . . . . . 2.1 mp . . . . . 0 C--O 1.231 0.087 0 CA-C-O 120.857 0.361 . . . . 73.540000000000006 110.883 . . . . . . . . . 0 0 . 1 . 009 nuclear build core ' A' A ' 2' ' ' VAL . . . . . 0.486 HG23 ' O ' ' A' ' 58' ' ' ILE . 39.1 t -63.16 -49.3 83.79 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.209 -0.451 . . . . 62.43 111.107 179.837 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . -64.36 -30.14 71.19 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.17 -0.468 . . . . 74.230000000000004 111.07 179.919 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 4' ' ' TYR . . . . . 0.713 ' CE1' HG21 ' A' ' 41' ' ' VAL . 65.7 t80 -74.08 -49.44 23.99 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.229 -0.441 . . . . 74.140000000000001 110.914 -179.843 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . 161.22 -26.85 0.28 Allowed Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 120.781 -0.723 . . . . 74.549999999999997 112.542 179.995 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 6' ' ' ILE . . . . . 0.433 HD11 HD22 ' A' ' 38' ' ' LEU . 51.0 mm -58.38 133.84 23.32 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-O 120.837 0.351 . . . . 74.450000000000003 111.154 -179.968 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -51.83 137.75 25.42 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.163 -0.471 . . . . 72.430000000000007 111.084 179.888 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 8' ' ' GLN . . . . . 0.48 ' HA ' HG22 ' A' ' 2' ' ' VAL . 43.7 tt0 -67.53 -46.44 72.78 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.204 -0.453 . . . . 60.200000000000003 110.889 -179.901 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -54.82 -46.11 77.24 Favored Glycine 0 N--CA 1.451 -0.343 0 C-N-CA 120.716 -0.754 . . . . 71.450000000000003 112.503 -179.961 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 10' ' ' THR . . . . . 0.709 ' O ' HG23 ' A' ' 14' ' ' VAL . 94.0 m -76.22 -37.86 57.16 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.766 0.317 . . . . 72.129999999999995 111.15 -179.891 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 11' ' ' ALA . . . . . 0.722 ' O ' HG23 ' A' ' 15' ' ' VAL . . . -53.33 -34.65 58.34 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.2 -0.455 . . . . 43.140000000000001 111.136 179.885 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 3.4 tt0 -55.61 -56.1 24.28 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.165 -0.47 . . . . 62.130000000000003 110.845 -179.935 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 1.3 mptm? -66.3 -38.77 88.49 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.176 -0.465 . . . . 60.119999999999997 110.86 -179.973 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 14' ' ' VAL . . . . . 0.709 HG23 ' O ' ' A' ' 10' ' ' THR . 94.1 t -53.47 -37.5 30.26 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.221 -0.445 . . . . 61.32 111.155 179.865 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 15' ' ' VAL . . . . . 0.722 HG23 ' O ' ' A' ' 11' ' ' ALA . 57.9 t -55.62 -40.65 60.8 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.205 -0.452 . . . . 74.109999999999999 111.11 179.917 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 6.3 t -53.72 -38.02 63.89 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.185 -0.461 . . . . 71.109999999999999 110.858 -179.799 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 5.5 mt -71.25 -37.6 71.96 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.115 -0.493 . . . . 61.020000000000003 110.906 179.969 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 18' ' ' ILE . . . . . . . . . . . . . 38.7 mt -65.04 -40.62 89.62 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.199 -0.455 . . . . 71.299999999999997 111.116 179.88 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 14.9 t-20 -58.23 -25.33 61.54 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.153 -0.476 . . . . 72.510000000000005 110.871 179.961 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -64.96 -20.1 66.3 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.182 -0.463 . . . . 34.240000000000002 111.094 179.87 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . 87.48 14.46 63.63 Favored Glycine 0 N--CA 1.451 -0.339 0 C-N-CA 120.791 -0.718 . . . . 62.420000000000002 112.456 -179.957 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 4.0 mm? -74.94 155.04 37.86 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-O 120.945 0.402 . . . . 50.140000000000001 110.871 -179.906 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 17.8 p -84.21 160.69 20.76 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.165 -0.47 . . . . 72.549999999999997 111.154 179.947 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 11.3 p -51.44 -29.96 10.11 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.239 -0.437 . . . . 74.349999999999994 111.134 179.866 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . -52.95 -49.56 54.57 Favored Glycine 0 N--CA 1.45 -0.372 0 C-N-CA 120.784 -0.722 . . . . 64.319999999999993 112.514 179.988 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 26' ' ' SER . . . . . 0.645 ' O ' HD12 ' A' ' 30' ' ' ILE . 1.5 p -70.73 -29.78 66.14 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.839 0.352 . . . . 61.310000000000002 110.841 -179.73 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 34.5 mm -60.55 -49.17 85.47 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.137 -0.483 . . . . 60.140000000000001 111.124 179.955 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 28' ' ' ILE . . . . . 0.651 HG23 ' OG1' ' A' ' 35' ' ' THR . 79.1 mt -55.37 -33.02 30.48 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.171 -0.468 . . . . 72.040000000000006 111.114 179.837 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 6.2 t -59.91 -51.22 70.61 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.17 -0.468 . . . . 65.019999999999996 110.861 -179.861 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 30' ' ' ILE . . . . . 0.645 HD12 ' O ' ' A' ' 26' ' ' SER . 3.8 mp -77.59 -24.74 14.6 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.085 -0.507 . . . . 72.5 111.107 179.966 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 31' ' ' LEU . . . . . 0.938 HD21 HD21 ' A' ' 38' ' ' LEU . 6.2 tp -59.9 -27.5 66.78 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.223 -0.444 . . . . 74.140000000000001 110.888 179.907 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . 128.09 -38.18 2.14 Favored Glycine 0 N--CA 1.452 -0.292 0 C-N-CA 120.753 -0.737 . . . . 64.319999999999993 112.476 179.912 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . 121.98 164.1 12.12 Favored Glycine 0 N--CA 1.451 -0.342 0 C-N-CA 120.76 -0.733 . . . . 54.219999999999999 112.503 -179.885 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 34' ' ' VAL . . . . . 0.426 ' O ' HG12 ' A' ' 34' ' ' VAL . 3.2 t 52.11 27.22 0.13 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-O 120.942 0.401 . . . . 70.150000000000006 111.112 -179.961 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 35' ' ' THR . . . . . 0.717 HG21 ' HB3' ' A' ' 31' ' ' LEU . 28.5 p -88.64 10.23 21.34 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.22 -0.445 . . . . 75.109999999999999 111.132 -179.971 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 36' ' ' VAL . . . . . . . . . . . . . 61.0 t -51.21 102.25 0.03 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.218 -0.446 . . . . 63.329999999999998 111.133 179.895 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 162.83 -62.84 0.26 Allowed Glycine 0 N--CA 1.451 -0.339 0 C-N-CA 120.731 -0.747 . . . . 73.400000000000006 112.473 179.983 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 38' ' ' LEU . . . . . 0.938 HD21 HD21 ' A' ' 31' ' ' LEU . 1.3 pp -66.72 -13.8 61.77 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.82 0.343 . . . . 74.519999999999996 110.939 -179.924 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 74.5 p -51.93 -47.78 64.54 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.165 -0.47 . . . . 74.409999999999997 110.82 -179.924 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . -58.3 -20.28 43.33 Favored Glycine 0 N--CA 1.451 -0.342 0 C-N-CA 120.704 -0.76 . . . . 74.420000000000002 112.507 -179.946 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 41' ' ' VAL . . . . . 0.713 HG21 ' CE1' ' A' ' 4' ' ' TYR . 90.5 t -94.66 -36.7 7.17 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-O 120.815 0.341 . . . . 61.039999999999999 111.129 179.947 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 42' ' ' PHE . . . . . . . . . . . . . 2.2 t80 -53.78 -48.48 69.74 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.216 -0.447 . . . . 64.140000000000001 110.881 -179.955 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 1.9 m -54.72 -46.66 74.24 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.118 -0.492 . . . . 55.340000000000003 111.164 -179.911 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -61.65 -33.27 73.67 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.202 -0.453 . . . . 74.409999999999997 111.099 179.878 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 45' ' ' VAL . . . . . 0.579 HG23 ' O ' ' A' ' 41' ' ' VAL . 61.7 t -69.61 -48.11 67.57 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.221 -0.445 . . . . 71.319999999999993 111.156 179.931 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 5.5 mtpm? -52.07 -42.34 63.11 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.158 -0.474 . . . . 74.230000000000004 110.864 179.941 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -61.93 -40.02 94.06 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.222 -0.444 . . . . 72.450000000000003 111.11 179.859 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -57.16 -30.75 64.73 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.209 -0.451 . . . . 72.530000000000001 111.094 179.918 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 49' ' ' ILE . . . . . . . . . . . . . 73.1 mt -56.59 -55.86 17.15 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.219 -0.446 . . . . 74.010000000000005 111.124 -179.969 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -64.84 -22.43 66.99 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.183 -0.462 . . . . 71.420000000000002 111.105 179.823 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 26.9 mmtm -76.92 -46.03 25.72 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.224 -0.443 . . . . 74.25 110.918 179.915 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 52' ' ' GLN . . . . . . . . . . . . . 4.6 mt-30 -124.08 -68.61 0.85 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.24 -0.437 . . . . 73.209999999999994 110.94 179.94 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . 173.5 155.97 12.54 Favored Glycine 0 N--CA 1.45 -0.368 0 C-N-CA 120.723 -0.751 . . . . 71.120000000000005 112.509 -179.96 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 54' ' ' ILE . . . . . . . . . . . . . 20.5 pt -51.77 -33.69 15.73 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-O 120.876 0.369 . . . . 75.510000000000005 111.102 -179.976 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -55.58 -40.0 71.41 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.238 -0.437 . . . . 61.439999999999998 110.873 179.87 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 4.7 mptp? -65.87 -38.32 88.48 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.251 -0.431 . . . . 71.420000000000002 110.893 179.908 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -55.75 -35.13 65.86 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.212 -0.449 . . . . 51.340000000000003 111.1 179.832 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 58' ' ' ILE . . . . . 0.486 ' O ' HG23 ' A' ' 2' ' ' VAL . 77.3 mt -56.59 -56.12 15.72 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.228 -0.442 . . . . 70.349999999999994 111.13 179.97 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 59' ' ' GLN . . . . . . . . . . . . . 35.9 mt-30 -57.65 -27.1 62.54 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.214 -0.448 . . . . 72.409999999999997 110.933 179.957 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 C--N 1.328 -0.33 0 CA-C-N 116.165 -0.47 . . . . 71.099999999999994 110.92 179.997 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 1' ' ' LEU . . . . . . . . . . . . . 8.1 mp . . . . . 0 C--O 1.231 0.122 0 CA-C-O 120.861 0.362 . . . . 73.439999999999998 110.874 . . . . . . . . . 0 0 . 1 . 010 nuclear build core ' A' A ' 2' ' ' VAL . . . . . 0.65 HG22 ' HA ' ' A' ' 8' ' ' GLN . 71.1 t -62.46 -49.84 82.24 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.239 -0.437 . . . . 65.129999999999995 111.138 179.846 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . -64.44 -29.71 70.76 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.203 -0.453 . . . . 62.329999999999998 111.132 179.859 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 4' ' ' TYR . . . . . 0.634 ' CE2' HD22 ' A' ' 60' ' ' LEU . 1.1 m-85 -74.26 -50.96 16.8 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.162 -0.472 . . . . 71.319999999999993 110.921 -179.861 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . 164.06 -27.28 0.21 Allowed Glycine 0 N--CA 1.452 -0.293 0 C-N-CA 120.73 -0.748 . . . . 55.219999999999999 112.465 179.968 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 6' ' ' ILE . . . . . 1.031 HD11 HD13 ' A' ' 38' ' ' LEU . 50.6 mm -56.89 138.03 18.15 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-O 120.841 0.353 . . . . 73.400000000000006 111.145 -179.959 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 7' ' ' ALA . . . . . 0.467 ' O ' ' HB2' ' A' ' 11' ' ' ALA . . . -51.5 143.25 12.41 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.207 -0.451 . . . . 51.240000000000002 111.089 179.831 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 8' ' ' GLN . . . . . 0.65 ' HA ' HG22 ' A' ' 2' ' ' VAL . 24.9 pt20 -67.84 -42.46 81.39 Favored 'General case' 0 C--N 1.33 -0.283 0 CA-C-N 116.252 -0.431 . . . . 73.530000000000001 110.895 -179.923 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -68.14 -43.81 79.19 Favored Glycine 0 N--CA 1.452 -0.286 0 C-N-CA 120.732 -0.747 . . . . 71.239999999999995 112.492 -179.981 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 63.4 m -75.86 -25.74 56.46 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-O 120.757 0.313 . . . . 62.130000000000003 111.091 -179.832 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 11' ' ' ALA . . . . . 0.673 ' O ' HG23 ' A' ' 15' ' ' VAL . . . -51.08 -38.56 52.43 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.223 -0.444 . . . . 65.049999999999997 111.121 179.869 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 5.7 tm-20 -71.91 -33.39 68.26 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.269 -0.423 . . . . 75.340000000000003 110.919 -179.939 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 8.8 mtpm? -69.36 -54.48 14.31 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.166 -0.47 . . . . 74.430000000000007 110.893 179.936 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 14.9 m -52.49 -41.18 35.47 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.258 -0.428 . . . . 73.340000000000003 111.093 179.861 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 15' ' ' VAL . . . . . 0.673 HG23 ' O ' ' A' ' 11' ' ' ALA . 55.1 t -57.44 -44.15 84.03 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.212 -0.449 . . . . 64.340000000000003 111.137 179.918 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 10.1 t -53.6 -35.03 60.44 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.183 -0.462 . . . . 62.409999999999997 110.838 -179.834 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 17' ' ' LEU . . . . . 0.708 ' HG ' HD21 ' A' ' 22' ' ' LEU . 2.7 tp -71.49 -28.79 64.17 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.1 -0.5 . . . . 64.430000000000007 110.941 -179.991 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 18' ' ' ILE . . . . . 0.401 HD11 ' CZ ' ' A' ' 42' ' ' PHE . 21.3 mt -65.22 -38.26 82.21 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.158 -0.474 . . . . 75.340000000000003 111.167 179.808 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 10.0 t-20 -58.74 -22.18 57.09 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.194 -0.457 . . . . 72.439999999999998 110.875 179.93 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -64.88 -20.06 66.23 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.125 -0.488 . . . . 74.239999999999995 111.074 179.913 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . 93.75 -6.29 73.67 Favored Glycine 0 N--CA 1.451 -0.34 0 C-N-CA 120.753 -0.737 . . . . 63.32 112.483 -179.95 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 22' ' ' LEU . . . . . 0.708 HD21 ' HG ' ' A' ' 17' ' ' LEU . 3.9 pp -67.65 141.96 56.55 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-O 120.875 0.369 . . . . 74.239999999999995 110.915 -179.921 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 30.6 p -76.85 171.46 14.7 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.197 -0.456 . . . . 73.510000000000005 111.114 179.976 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 10.5 p -51.41 -30.34 10.51 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.191 -0.459 . . . . 71.129999999999995 111.08 179.903 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . -52.98 -38.42 55.38 Favored Glycine 0 N--CA 1.45 -0.368 0 C-N-CA 120.773 -0.727 . . . . 34.549999999999997 112.495 -179.975 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 26' ' ' SER . . . . . 0.641 ' HB2' HD13 ' A' ' 22' ' ' LEU . 2.1 m -70.77 -31.87 68.8 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 120.853 0.358 . . . . 71.409999999999997 110.849 -179.734 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 40.7 mm -61.42 -47.08 95.07 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.101 -0.5 . . . . 62.420000000000002 111.143 179.931 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 28' ' ' ILE . . . . . . . . . . . . . 40.2 mm -59.98 -36.37 66.65 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.156 -0.475 . . . . 64.120000000000005 111.147 179.837 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 2.0 t -60.55 -32.81 71.85 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.186 -0.461 . . . . 61.109999999999999 110.866 -179.934 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 30' ' ' ILE . . . . . . . . . . . . . 51.9 mm -77.19 -54.94 11.93 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.128 -0.487 . . . . 73.409999999999997 111.136 179.965 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 31' ' ' LEU . . . . . 0.809 ' HG ' HG21 ' A' ' 35' ' ' THR . 4.2 mm? -52.38 -41.9 63.52 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.2 -0.455 . . . . 72.409999999999997 110.898 179.91 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . 66.26 23.85 71.77 Favored Glycine 0 N--CA 1.45 -0.372 0 C-N-CA 120.759 -0.734 . . . . 71.409999999999997 112.546 179.929 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -138.28 -174.74 13.55 Favored Glycine 0 N--CA 1.452 -0.285 0 C-N-CA 120.746 -0.74 . . . . 74.140000000000001 112.427 -179.866 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 34' ' ' VAL . . . . . . . . . . . . . 16.1 m -77.35 59.86 0.12 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-O 120.906 0.384 . . . . 53.009999999999998 111.147 -179.967 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 35' ' ' THR . . . . . 0.935 HG22 HD21 ' A' ' 38' ' ' LEU . 2.8 p -86.93 7.07 28.95 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.186 -0.461 . . . . 65.409999999999997 111.151 -179.973 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 36' ' ' VAL . . . . . . . . . . . . . 33.4 m -58.03 -22.52 19.29 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.237 -0.438 . . . . 60.43 111.115 179.945 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . -81.06 -56.33 3.08 Favored Glycine 0 N--CA 1.451 -0.33 0 C-N-CA 120.707 -0.759 . . . . 33.130000000000003 112.512 179.982 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 38' ' ' LEU . . . . . 1.031 HD13 HD11 ' A' ' 6' ' ' ILE . 3.1 pp -66.29 -36.68 83.59 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 120.782 0.325 . . . . 70.200000000000003 110.903 -179.948 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 39.2 p -59.83 -21.03 60.35 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.208 -0.451 . . . . 72.0 110.847 -179.881 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . -52.65 -27.28 26.81 Favored Glycine 0 N--CA 1.451 -0.34 0 C-N-CA 120.739 -0.743 . . . . 63.009999999999998 112.497 179.966 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 41' ' ' VAL . . . . . 0.697 ' O ' HG23 ' A' ' 45' ' ' VAL . 18.9 m -93.42 -21.59 5.99 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-O 120.808 0.337 . . . . 71.140000000000001 111.067 -179.947 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 42' ' ' PHE . . . . . 0.401 ' CZ ' HD11 ' A' ' 18' ' ' ILE . 4.7 t80 -51.9 -39.72 59.53 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.249 -0.432 . . . . 74.439999999999998 110.891 -179.944 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -59.19 -51.48 69.83 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.156 -0.475 . . . . 74.319999999999993 111.146 -179.945 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -63.86 -29.83 70.98 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.188 -0.46 . . . . 71.150000000000006 111.073 179.896 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 45' ' ' VAL . . . . . 0.697 HG23 ' O ' ' A' ' 41' ' ' VAL . 90.1 t -65.13 -36.11 77.0 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.231 -0.441 . . . . 60.210000000000001 111.154 179.959 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 46' ' ' LYS . . . . . 0.569 ' HA ' HD12 ' A' ' 49' ' ' ILE . 2.5 ttmp? -55.98 -48.8 75.18 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.154 -0.475 . . . . 70.519999999999996 110.933 179.869 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -61.99 -30.06 70.68 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.211 -0.45 . . . . 71.129999999999995 111.075 179.835 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 48' ' ' ALA . . . . . 0.425 ' HB3' ' O ' ' A' ' 45' ' ' VAL . . . -58.74 -45.34 89.88 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.226 -0.443 . . . . 74.219999999999999 111.147 179.936 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 49' ' ' ILE . . . . . 0.569 HD12 ' HA ' ' A' ' 46' ' ' LYS . 4.1 mt -56.26 -52.84 46.74 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.213 -0.449 . . . . 75.129999999999995 111.153 179.964 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -65.08 -25.04 67.63 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.147 -0.478 . . . . 74.319999999999993 111.054 179.848 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 31.5 tptt -77.37 -39.82 46.05 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.22 -0.446 . . . . 74.140000000000001 110.847 -179.969 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 52' ' ' GLN . . . . . . . . . . . . . 28.2 mm-40 -134.42 -64.5 0.68 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.199 -0.455 . . . . 72.450000000000003 110.87 -179.974 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . 165.9 157.61 10.2 Favored Glycine 0 N--CA 1.451 -0.325 0 C-N-CA 120.775 -0.726 . . . . 71.349999999999994 112.516 -179.905 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 54' ' ' ILE . . . . . . . . . . . . . 1.7 pp -51.68 -30.56 11.73 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.358 0 CA-C-O 120.941 0.4 . . . . 73.129999999999995 111.137 179.988 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 15.2 ptmt -52.58 -46.45 66.92 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.149 -0.478 . . . . 75.530000000000001 110.874 179.907 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 32.1 tptt -66.54 -34.79 78.69 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.272 -0.422 . . . . 73.310000000000002 110.902 179.883 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -58.08 -33.08 68.68 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.208 -0.451 . . . . 53.229999999999997 111.137 179.791 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 58' ' ' ILE . . . . . 0.51 ' O ' HG23 ' A' ' 2' ' ' VAL . 67.8 mt -57.61 -60.04 2.61 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.19 -0.459 . . . . 63.100000000000001 111.162 179.949 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 59' ' ' GLN . . . . . . . . . . . . . 60.7 mm-40 -55.45 -31.9 62.32 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.185 -0.461 . . . . 62.219999999999999 110.881 179.971 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 60' ' ' LEU . . . . . 0.634 HD22 ' CE2' ' A' ' 4' ' ' TYR . 1.2 mt . . . . . 0 C--N 1.328 -0.339 0 CA-C-N 116.252 -0.431 . . . . 52.210000000000001 110.886 179.982 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 1' ' ' LEU . . . . . 0.501 ' HG ' HG11 ' A' ' 45' ' ' VAL . 45.3 mt . . . . . 0 C--O 1.231 0.119 0 CA-C-O 120.864 0.364 . . . . 71.230000000000004 110.903 . . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 2' ' ' VAL . . . . . 0.575 HG23 ' O ' ' A' ' 58' ' ' ILE . 90.3 t -59.5 -51.43 72.74 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.238 -0.437 . . . . 73.420000000000002 111.115 179.852 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . -65.07 -28.69 69.64 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.181 -0.463 . . . . 64.510000000000005 111.063 179.912 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 4' ' ' TYR . . . . . . . . . . . . . 2.7 m-85 -74.1 -50.65 18.56 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.223 -0.444 . . . . 62.039999999999999 110.936 -179.868 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . 160.79 49.75 0.02 OUTLIER Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.759 -0.734 . . . . 75.239999999999995 112.513 179.973 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 6' ' ' ILE . . . . . 0.572 HD11 HD23 ' A' ' 38' ' ' LEU . 45.9 mm -131.28 144.24 38.26 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-O 120.849 0.357 . . . . 72.340000000000003 111.107 -179.975 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 7' ' ' ALA . . . . . 0.731 ' HB3' ' HB ' ' A' ' 10' ' ' THR . . . -51.46 151.2 3.18 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.138 -0.483 . . . . 74.439999999999998 111.078 179.86 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 28.9 tt0 -68.0 -57.11 6.7 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.214 -0.448 . . . . 73.230000000000004 110.908 -179.914 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -71.0 -37.17 64.4 Favored Glycine 0 N--CA 1.451 -0.325 0 C-N-CA 120.777 -0.725 . . . . 55.299999999999997 112.52 179.995 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 10' ' ' THR . . . . . 0.731 ' HB ' ' HB3' ' A' ' 7' ' ' ALA . 3.3 m -70.91 -25.78 62.92 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-O 120.776 0.322 . . . . 73.319999999999993 111.157 -179.892 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 11' ' ' ALA . . . . . 0.636 ' O ' HG23 ' A' ' 15' ' ' VAL . . . -51.01 -38.73 53.08 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.209 -0.451 . . . . 60.329999999999998 111.093 179.872 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 39.9 mt-10 -71.8 -33.56 68.65 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.227 -0.442 . . . . 71.019999999999996 110.861 -179.898 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 32.9 tttt -69.27 -54.5 14.35 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.183 -0.462 . . . . 50.420000000000002 110.902 179.935 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 15.4 m -52.76 -41.16 37.89 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.264 0 CA-C-N 116.234 -0.439 . . . . 62.310000000000002 111.144 179.911 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 15' ' ' VAL . . . . . 0.636 HG23 ' O ' ' A' ' 11' ' ' ALA . 72.5 t -61.12 -42.81 94.67 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.133 -0.485 . . . . 64.129999999999995 111.148 179.893 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 3.2 t -53.48 -34.94 59.88 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.19 -0.459 . . . . 75.099999999999994 110.868 -179.879 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 3.0 mm? -71.54 -28.88 64.18 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.12 -0.491 . . . . 72.329999999999998 110.894 -179.959 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 18' ' ' ILE . . . . . . . . . . . . . 21.4 mt -65.3 -48.12 84.58 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.217 -0.447 . . . . 70.510000000000005 111.128 179.849 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 10.2 t-20 -58.37 -22.79 54.93 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.178 -0.464 . . . . 74.200000000000003 110.866 179.937 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -64.87 -20.01 66.2 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.179 -0.464 . . . . 73.129999999999995 111.123 179.869 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . 82.82 83.08 0.89 Allowed Glycine 0 N--CA 1.452 -0.271 0 C-N-CA 120.759 -0.734 . . . . 71.140000000000001 112.468 -179.987 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 8.9 mt -160.2 162.08 33.72 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.912 0.387 . . . . 64.340000000000003 110.875 -179.924 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 1.3 p -77.15 157.11 31.15 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.203 -0.453 . . . . 73.329999999999998 111.124 179.958 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 18.8 m -51.4 -30.26 10.38 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.194 -0.457 . . . . 72.120000000000005 111.075 179.954 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . -53.05 -41.7 60.37 Favored Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 120.727 -0.749 . . . . 63.100000000000001 112.495 179.982 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 24.1 t -63.6 -27.92 69.57 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.835 0.35 . . . . 74.329999999999998 110.878 -179.775 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 36.7 mm -62.92 -53.5 45.86 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.134 -0.485 . . . . 63.329999999999998 111.088 179.965 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 28' ' ' ILE . . . . . 0.659 HG23 ' OG1' ' A' ' 35' ' ' THR . 65.2 mt -60.23 -32.92 51.84 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.164 -0.471 . . . . 62.140000000000001 111.158 179.885 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 2.6 m -55.56 -41.68 73.62 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.156 -0.475 . . . . 70.019999999999996 110.885 -179.926 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 30' ' ' ILE . . . . . . . . . . . . . 75.6 mt -77.27 -46.12 28.81 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.103 -0.498 . . . . 64.030000000000001 111.111 179.963 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 4.1 mm? -54.49 -41.97 70.21 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.179 -0.464 . . . . 75.5 110.909 179.91 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . 57.51 43.75 93.99 Favored Glycine 0 N--CA 1.451 -0.323 0 C-N-CA 120.78 -0.724 . . . . 44.130000000000003 112.502 179.93 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -144.14 -173.3 15.45 Favored Glycine 0 N--CA 1.451 -0.34 0 C-N-CA 120.71 -0.757 . . . . 62.100000000000001 112.47 -179.94 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 34' ' ' VAL . . . . . . . . . . . . . 15.7 t -77.66 59.39 0.12 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-O 120.943 0.401 . . . . 70.400000000000006 111.099 -179.899 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 35' ' ' THR . . . . . 0.659 ' OG1' HG23 ' A' ' 28' ' ' ILE . 0.6 OUTLIER -86.95 7.01 29.3 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.146 -0.479 . . . . 64.319999999999993 111.149 -179.968 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 36' ' ' VAL . . . . . . . . . . . . . 54.6 t -57.7 98.79 0.06 OUTLIER 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.189 -0.459 . . . . 71.109999999999999 111.12 179.916 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 143.11 -52.06 0.64 Allowed Glycine 0 N--CA 1.452 -0.252 0 C-N-CA 120.732 -0.747 . . . . 71.049999999999997 112.457 179.96 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 38' ' ' LEU . . . . . 0.572 HD23 HD11 ' A' ' 6' ' ' ILE . 7.8 mp -58.6 -23.07 57.98 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-O 120.804 0.335 . . . . 75.230000000000004 110.899 -179.862 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 39' ' ' SER . . . . . 0.47 ' OG ' HD11 ' A' ' 28' ' ' ILE . 1.7 m -56.1 -25.37 45.39 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.211 -0.45 . . . . 72.329999999999998 110.849 -179.942 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . -74.16 -32.29 58.54 Favored Glycine 0 N--CA 1.452 -0.294 0 C-N-CA 120.739 -0.743 . . . . 40.329999999999998 112.505 -179.997 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 41' ' ' VAL . . . . . 0.638 ' O ' HG23 ' A' ' 45' ' ' VAL . 35.5 m -93.35 -24.67 5.09 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-O 120.857 0.36 . . . . 63.140000000000001 111.086 -179.939 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 42' ' ' PHE . . . . . . . . . . . . . 24.1 t80 -55.56 -56.02 25.2 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.216 -0.447 . . . . 70.430000000000007 110.873 -179.991 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 5.4 t -56.49 -39.06 72.63 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.169 -0.468 . . . . 72.549999999999997 111.169 -179.915 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -63.6 -36.41 83.72 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.216 -0.447 . . . . 43.009999999999998 111.07 179.904 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 45' ' ' VAL . . . . . 0.638 HG23 ' O ' ' A' ' 41' ' ' VAL . 88.7 t -69.64 -35.34 65.45 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.223 -0.444 . . . . 61.140000000000001 111.111 179.993 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 1.4 ttmp? -57.75 -51.48 69.39 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.175 -0.466 . . . . 64.030000000000001 110.92 179.887 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -57.02 -31.78 65.49 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.252 -0.431 . . . . 74.319999999999993 111.105 179.852 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 48' ' ' ALA . . . . . 0.409 ' HB3' ' O ' ' A' ' 45' ' ' VAL . . . -57.82 -30.21 65.54 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.229 -0.442 . . . . 61.130000000000003 111.073 179.936 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 49' ' ' ILE . . . . . . . . . . . . . 78.0 mt -56.38 -55.97 16.13 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-N 116.216 -0.447 . . . . 65.230000000000004 111.125 -179.988 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -62.74 -24.21 67.58 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.176 -0.465 . . . . 44.130000000000003 111.102 179.812 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 22.7 tttm -76.99 -44.68 30.1 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.179 -0.464 . . . . 61.539999999999999 110.908 179.987 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 52' ' ' GLN . . . . . . . . . . . . . 28.5 mt-30 -122.35 -74.63 0.61 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.226 -0.443 . . . . 62.039999999999999 110.902 179.963 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . 175.79 153.88 10.88 Favored Glycine 0 N--CA 1.451 -0.328 0 C-N-CA 120.715 -0.755 . . . . 73.310000000000002 112.47 -179.953 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 54' ' ' ILE . . . . . . . . . . . . . 16.5 pt -51.71 -35.55 17.64 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-O 120.919 0.39 . . . . 73.549999999999997 111.147 179.99 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 12.2 ptmm? -53.19 -47.03 69.21 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.15 -0.477 . . . . 70.200000000000003 110.881 179.857 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 17.0 mmmt -66.21 -34.31 77.73 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.263 -0.426 . . . . 62.25 110.897 179.869 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -57.47 -33.56 68.11 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.212 -0.449 . . . . 73.349999999999994 111.093 179.817 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 58' ' ' ILE . . . . . 0.575 ' O ' HG23 ' A' ' 2' ' ' VAL . 79.9 mt -60.45 -60.05 3.19 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.201 -0.454 . . . . 63.340000000000003 111.119 -179.991 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 59' ' ' GLN . . . . . . . . . . . . . 31.1 mt-30 -59.73 -26.99 66.09 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.205 -0.452 . . . . 62.240000000000002 110.889 179.947 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 2.7 mt . . . . . 0 C--N 1.328 -0.349 0 CA-C-N 116.224 -0.443 . . . . 74.019999999999996 110.958 179.971 . . . . . . . . 0 0 . 1 . 012 nuclear build core ' A' A ' 1' ' ' LEU . . . . . 0.665 HD12 HG21 ' A' ' 45' ' ' VAL . 7.0 mp . . . . . 0 C--O 1.231 0.119 0 CA-C-O 120.816 0.341 . . . . 74.319999999999993 110.925 . . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 2' ' ' VAL . . . . . 0.587 HG22 ' HA ' ' A' ' 8' ' ' GLN . 39.0 t -63.22 -49.51 82.85 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.212 -0.449 . . . . 62.310000000000002 111.122 179.84 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . -64.28 -29.22 70.31 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.221 -0.445 . . . . 74.400000000000006 111.129 179.85 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 4' ' ' TYR . . . . . 0.61 ' CE2' HD22 ' A' ' 60' ' ' LEU . 0.9 OUTLIER -74.06 -51.09 16.86 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.186 -0.461 . . . . 73.340000000000003 110.943 -179.849 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . 161.38 -24.46 0.24 Allowed Glycine 0 N--CA 1.451 -0.34 0 C-N-CA 120.767 -0.73 . . . . 45.149999999999999 112.469 179.943 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 6' ' ' ILE . . . . . 0.65 HD13 ' HG ' ' A' ' 1' ' ' LEU . 2.7 mp -63.23 137.08 25.25 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-O 120.859 0.361 . . . . 74.310000000000002 111.15 -179.979 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 7' ' ' ALA . . . . . 0.465 ' O ' ' HB2' ' A' ' 11' ' ' ALA . . . -51.21 142.08 13.49 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.215 -0.448 . . . . 65.049999999999997 111.135 179.807 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 8' ' ' GLN . . . . . 0.587 ' HA ' HG22 ' A' ' 2' ' ' VAL . 33.0 tt0 -67.6 -48.72 66.01 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.23 -0.441 . . . . 75.310000000000002 110.936 -179.97 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -54.55 -48.32 65.81 Favored Glycine 0 N--CA 1.452 -0.298 0 C-N-CA 120.732 -0.747 . . . . 72.430000000000007 112.5 -179.988 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 10' ' ' THR . . . . . 0.458 HG22 HG13 ' A' ' 14' ' ' VAL . 69.2 m -76.97 -25.94 53.36 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-O 120.78 0.324 . . . . 72.230000000000004 111.13 -179.825 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 11' ' ' ALA . . . . . 0.753 ' O ' HG23 ' A' ' 15' ' ' VAL . . . -51.61 -39.28 57.71 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.174 -0.466 . . . . 45.43 111.078 179.881 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 4.3 tt0 -72.08 -33.25 67.75 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.238 -0.437 . . . . 73.120000000000005 110.863 -179.895 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 33.3 mtmt -69.43 -54.2 15.54 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.212 -0.449 . . . . 54.399999999999999 110.895 179.975 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 14' ' ' VAL . . . . . 0.458 HG13 HG22 ' A' ' 10' ' ' THR . 17.1 m -52.11 -34.99 18.34 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.237 -0.438 . . . . 65.329999999999998 111.113 179.876 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 15' ' ' VAL . . . . . 0.753 HG23 ' O ' ' A' ' 11' ' ' ALA . 54.2 t -55.51 -47.21 78.81 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.206 -0.452 . . . . 64.340000000000003 111.136 179.926 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 22.9 t -53.52 -33.44 54.49 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.171 -0.468 . . . . 63.119999999999997 110.846 -179.818 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -71.35 -30.41 66.14 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.098 -0.501 . . . . 64.430000000000007 110.927 179.958 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 18' ' ' ILE . . . . . . . . . . . . . 22.4 mt -65.42 -50.01 75.11 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.352 0 CA-C-N 116.213 -0.449 . . . . 75.209999999999994 111.092 179.891 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 11.4 t-20 -58.91 -21.6 58.03 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.218 -0.447 . . . . 73.230000000000004 110.897 179.9 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -64.81 -20.06 66.18 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.167 -0.469 . . . . 64.420000000000002 111.114 179.874 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . 91.46 77.71 1.36 Allowed Glycine 0 N--CA 1.451 -0.323 0 C-N-CA 120.757 -0.735 . . . . 64.510000000000005 112.54 -179.946 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 22' ' ' LEU . . . . . 0.466 HD22 ' OG ' ' A' ' 26' ' ' SER . 9.1 mt -160.17 144.85 14.66 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.934 0.397 . . . . 72.25 110.895 -179.899 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 69.3 p -76.65 165.47 24.72 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.154 -0.475 . . . . 73.030000000000001 111.175 179.947 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 18.6 m -51.48 -30.35 10.77 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.266 -0.425 . . . . 64.329999999999998 111.142 179.936 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . -53.22 -36.78 53.38 Favored Glycine 0 N--CA 1.451 -0.339 0 C-N-CA 120.728 -0.748 . . . . 53.210000000000001 112.472 -179.992 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 26' ' ' SER . . . . . 0.466 ' OG ' HD22 ' A' ' 22' ' ' LEU . 1.8 m -70.51 -28.03 64.65 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.799 0.333 . . . . 71.209999999999994 110.825 -179.735 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 47.6 mm -67.9 -49.34 69.76 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.175 -0.466 . . . . 71.340000000000003 111.111 179.948 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 28' ' ' ILE . . . . . 0.611 HD11 ' HB2' ' A' ' 39' ' ' SER . 42.1 mt -51.97 -32.91 15.53 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.177 -0.465 . . . . 72.25 111.136 179.867 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 22.5 m -58.66 -36.71 74.58 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.223 -0.444 . . . . 55.219999999999999 110.873 -179.931 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 30' ' ' ILE . . . . . . . . . . . . . 48.7 mt -77.26 -61.04 1.84 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.095 -0.502 . . . . 74.099999999999994 111.119 179.967 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 88.1 mt -53.76 -27.97 31.82 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.188 -0.46 . . . . 74.310000000000002 110.924 179.911 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . 91.84 13.08 58.44 Favored Glycine 0 N--CA 1.451 -0.305 0 C-N-CA 120.691 -0.766 . . . . 75.409999999999997 112.492 179.916 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . 52.17 35.9 43.15 Favored Glycine 0 N--CA 1.451 -0.303 0 C-N-CA 120.754 -0.736 . . . . 54.130000000000003 112.495 -179.899 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 34' ' ' VAL . . . . . . . . . . . . . 12.4 p -78.26 -31.08 16.02 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.261 0 CA-C-O 120.925 0.393 . . . . 61.240000000000002 111.128 -179.933 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 35' ' ' THR . . . . . 0.404 HG21 HD13 ' A' ' 38' ' ' LEU . 9.7 t -86.79 -36.47 18.53 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.171 -0.468 . . . . 65.310000000000002 111.121 -179.974 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 36' ' ' VAL . . . . . . . . . . . . . 21.3 t 51.0 63.43 0.21 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.249 -0.432 . . . . 74.239999999999995 111.12 179.916 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . -179.32 -34.98 0.06 OUTLIER Glycine 0 N--CA 1.452 -0.261 0 C-N-CA 120.748 -0.739 . . . . 74.409999999999997 112.494 -179.994 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 38' ' ' LEU . . . . . 0.404 HD13 HG21 ' A' ' 35' ' ' THR . 7.4 mp -58.24 -23.26 55.35 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.801 0.334 . . . . 72.140000000000001 110.896 -179.884 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 39' ' ' SER . . . . . 0.611 ' HB2' HD11 ' A' ' 28' ' ' ILE . 6.5 t -65.22 -24.52 67.37 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.235 -0.439 . . . . 74.239999999999995 110.882 -179.952 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . -79.42 -30.25 46.04 Favored Glycine 0 N--CA 1.451 -0.364 0 C-N-CA 120.794 -0.717 . . . . 63.240000000000002 112.494 179.994 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 41' ' ' VAL . . . . . 0.518 ' O ' HG23 ' A' ' 45' ' ' VAL . 18.9 m -93.11 -24.09 5.31 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-O 120.889 0.376 . . . . 72.439999999999998 111.133 -179.95 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 42' ' ' PHE . . . . . . . . . . . . . 5.0 t80 -62.87 -44.09 97.05 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.16 -0.473 . . . . 75.409999999999997 110.861 -179.912 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -57.55 -40.78 79.62 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.12 -0.491 . . . . 74.109999999999999 111.142 -179.884 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -65.37 -37.25 86.46 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.217 -0.447 . . . . 64.329999999999998 111.122 179.856 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 45' ' ' VAL . . . . . 0.665 HG21 HD12 ' A' ' 1' ' ' LEU . 92.3 t -65.91 -33.32 62.78 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-N 116.198 -0.456 . . . . 70.019999999999996 111.155 179.979 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 41.6 tptt -55.89 -52.91 62.41 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.182 -0.463 . . . . 74.340000000000003 110.917 179.878 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -62.93 -30.2 71.37 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.237 -0.438 . . . . 65.329999999999998 111.08 179.811 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -63.23 -42.87 99.3 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.24 -0.436 . . . . 72.450000000000003 111.087 179.974 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 49' ' ' ILE . . . . . 0.482 HG12 ' HB2' ' A' ' 57' ' ' ALA . 59.1 mt -56.42 -55.93 16.43 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.198 -0.455 . . . . 64.409999999999997 111.14 179.963 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -65.01 -21.71 66.89 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.179 -0.464 . . . . 51.340000000000003 111.064 179.843 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 1.2 mmmm -76.98 -60.96 2.14 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.224 -0.444 . . . . 75.109999999999999 110.893 -179.995 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 52' ' ' GLN . . . . . . . . . . . . . 28.3 mm-40 -105.8 -63.89 1.21 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.251 -0.431 . . . . 71.299999999999997 110.892 179.941 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . 168.67 157.94 12.05 Favored Glycine 0 N--CA 1.451 -0.344 0 C-N-CA 120.725 -0.75 . . . . 51.0 112.489 -179.956 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 54' ' ' ILE . . . . . . . . . . . . . 18.3 pt -51.6 -34.68 16.2 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-O 120.897 0.379 . . . . 71.409999999999997 111.128 -179.952 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 8.2 ptmt -53.97 -46.33 71.62 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.177 -0.465 . . . . 75.340000000000003 110.85 179.871 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -66.32 -32.75 74.34 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.286 -0.415 . . . . 65.5 110.877 179.904 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 57' ' ' ALA . . . . . 0.482 ' HB2' HG12 ' A' ' 49' ' ' ILE . . . -58.25 -33.58 69.52 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.245 -0.434 . . . . 74.120000000000005 111.116 179.806 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 58' ' ' ILE . . . . . 0.583 ' O ' HG23 ' A' ' 2' ' ' VAL . 79.3 mt -61.12 -59.48 4.2 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.241 -0.436 . . . . 60.340000000000003 111.129 -179.997 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 59' ' ' GLN . . . . . . . . . . . . . 0.3 OUTLIER -51.92 -32.53 33.19 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.148 -0.478 . . . . 54.130000000000003 110.886 179.956 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 60' ' ' LEU . . . . . 0.61 HD22 ' CE2' ' A' ' 4' ' ' TYR . 1.1 mt . . . . . 0 C--N 1.328 -0.334 0 CA-C-N 116.236 -0.438 . . . . 71.329999999999998 110.926 -180.0 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 1' ' ' LEU . . . . . 0.655 ' CD2' HG11 ' A' ' 45' ' ' VAL . 4.4 mm? . . . . . 0 C--O 1.231 0.124 0 CA-C-O 120.841 0.353 . . . . 74.340000000000003 110.953 . . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 2' ' ' VAL . . . . . 0.444 HG23 ' O ' ' A' ' 58' ' ' ILE . 90.9 t -63.02 -49.56 83.04 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.172 -0.467 . . . . 70.109999999999999 111.154 179.794 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . -64.1 -31.15 72.23 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.18 -0.464 . . . . 65.349999999999994 111.107 179.89 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 4' ' ' TYR . . . . . 0.555 ' CE2' HD22 ' A' ' 60' ' ' LEU . 1.0 OUTLIER -74.1 -49.87 22.03 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.201 -0.454 . . . . 71.219999999999999 110.918 -179.837 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 5' ' ' GLY . . . . . 0.501 ' O ' HD13 ' A' ' 6' ' ' ILE . . . 159.15 58.38 0.01 OUTLIER Glycine 0 N--CA 1.451 -0.3 0 C-N-CA 120.733 -0.746 . . . . 72.010000000000005 112.449 179.955 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 6' ' ' ILE . . . . . 0.566 HG13 HD12 ' A' ' 1' ' ' LEU . 46.8 mm -140.56 143.8 28.43 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-O 120.831 0.348 . . . . 75.540000000000006 111.148 179.982 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 7' ' ' ALA . . . . . 0.766 ' HB3' ' HB ' ' A' ' 10' ' ' THR . . . -54.06 151.53 6.82 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.162 -0.472 . . . . 54.439999999999998 111.164 179.784 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 21.9 tt0 -64.25 -56.98 10.86 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.263 -0.426 . . . . 73.109999999999999 110.924 -179.923 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -71.06 -27.05 72.71 Favored Glycine 0 N--CA 1.451 -0.352 0 C-N-CA 120.728 -0.749 . . . . 25.34 112.463 -179.957 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 10' ' ' THR . . . . . 0.766 ' HB ' ' HB3' ' A' ' 7' ' ' ALA . 35.0 m -75.25 -47.27 28.88 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.791 0.329 . . . . 55.030000000000001 111.133 -179.881 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 11' ' ' ALA . . . . . 0.7 ' O ' HG23 ' A' ' 15' ' ' VAL . . . -51.53 -30.96 22.31 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.201 -0.454 . . . . 63.329999999999998 111.097 179.915 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 7.0 tt0 -69.62 -53.38 19.01 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.197 -0.456 . . . . 61.409999999999997 110.912 -179.933 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 44.3 tttm -62.92 -41.65 99.53 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.121 -0.49 . . . . 74.519999999999996 110.926 179.952 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 14' ' ' VAL . . . . . 0.69 HG23 ' O ' ' A' ' 10' ' ' THR . 99.0 t -53.12 -34.86 22.07 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.266 0 CA-C-N 116.196 -0.456 . . . . 65.109999999999999 111.098 179.914 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 15' ' ' VAL . . . . . 0.7 HG23 ' O ' ' A' ' 11' ' ' ALA . 92.2 t -55.43 -40.89 60.16 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.194 -0.457 . . . . 50.420000000000002 111.163 179.882 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 5.1 t -61.01 -32.2 71.8 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.16 -0.473 . . . . 44.229999999999997 110.856 -179.906 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 1.4 mp -71.32 -31.38 67.33 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.138 -0.483 . . . . 73.510000000000005 110.932 -179.954 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 18' ' ' ILE . . . . . . . . . . . . . 29.9 mt -65.22 -48.17 84.57 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.162 -0.472 . . . . 71.010000000000005 111.161 179.803 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 18.0 t-20 -57.96 -29.43 65.2 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.176 -0.466 . . . . 60.539999999999999 110.889 179.917 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -65.04 -20.06 66.3 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.205 -0.452 . . . . 71.310000000000002 111.114 179.905 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . 87.86 18.76 55.68 Favored Glycine 0 N--CA 1.451 -0.361 0 C-N-CA 120.715 -0.755 . . . . 63.219999999999999 112.546 -179.942 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 13.4 mt -74.89 154.09 38.35 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 120.894 0.378 . . . . 61.32 110.909 -179.918 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 1.9 p -76.73 139.27 40.39 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.184 -0.462 . . . . 74.120000000000005 111.117 179.952 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 24' ' ' VAL . . . . . 0.639 HG12 ' CD1' ' A' ' 42' ' ' PHE . 19.1 m -51.46 -30.53 10.94 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.204 -0.453 . . . . 71.010000000000005 111.095 179.906 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . -54.22 -32.68 51.17 Favored Glycine 0 N--CA 1.451 -0.309 0 C-N-CA 120.745 -0.74 . . . . 54.310000000000002 112.482 -179.996 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 6.0 p -67.79 -28.14 67.34 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.847 0.356 . . . . 73.140000000000001 110.87 -179.731 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 27' ' ' ILE . . . . . 0.705 ' HA ' HD12 ' A' ' 30' ' ' ILE . 43.0 mm -60.3 -41.83 88.48 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.158 -0.474 . . . . 62.539999999999999 111.161 179.875 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 28' ' ' ILE . . . . . 0.578 HG23 ' OG1' ' A' ' 35' ' ' THR . 62.0 mt -60.36 -45.72 96.14 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 116.137 -0.483 . . . . 65.239999999999995 111.157 179.876 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 15.7 m -57.32 -30.89 65.14 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.149 -0.478 . . . . 62.210000000000001 110.895 -179.93 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 30' ' ' ILE . . . . . 0.705 HD12 ' HA ' ' A' ' 27' ' ' ILE . 47.4 mt -70.04 -60.95 1.91 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.081 -0.509 . . . . 74.319999999999993 111.084 179.992 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 4.3 mm? -55.21 -42.12 72.89 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.184 -0.462 . . . . 73.409999999999997 110.939 179.896 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . 51.75 28.51 23.35 Favored Glycine 0 N--CA 1.451 -0.333 0 C-N-CA 120.762 -0.733 . . . . 31.140000000000001 112.474 179.861 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -129.63 61.16 0.66 Allowed Glycine 0 N--CA 1.451 -0.309 0 C-N-CA 120.693 -0.765 . . . . 72.409999999999997 112.504 -179.911 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 34' ' ' VAL . . . . . . . . . . . . . 11.7 t 49.55 54.96 0.36 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-O 120.944 0.402 . . . . 73.430000000000007 111.142 -179.94 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 35' ' ' THR . . . . . 0.806 HG22 HD12 ' A' ' 38' ' ' LEU . 0.1 OUTLIER -87.04 7.47 27.58 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.177 -0.465 . . . . 54.399999999999999 111.104 -179.943 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 36' ' ' VAL . . . . . 0.42 ' O ' HG23 ' A' ' 36' ' ' VAL . 4.8 m -55.04 100.61 0.05 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.261 -0.427 . . . . 73.420000000000002 111.171 179.874 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 140.94 -41.47 1.26 Allowed Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 120.774 -0.727 . . . . 74.400000000000006 112.503 -179.977 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 38' ' ' LEU . . . . . 0.806 HD12 HG22 ' A' ' 35' ' ' THR . 74.8 mt -65.43 -18.27 65.19 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.866 0.365 . . . . 52.32 110.971 -179.934 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 39' ' ' SER . . . . . 0.414 ' HB3' HD11 ' A' ' 28' ' ' ILE . 13.4 p -69.25 -39.8 78.23 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.139 -0.482 . . . . 55.509999999999998 110.853 -179.911 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . -65.17 -22.34 68.92 Favored Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 120.733 -0.746 . . . . 53.5 112.485 -179.937 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 41' ' ' VAL . . . . . 0.593 ' O ' HG23 ' A' ' 45' ' ' VAL . 6.2 p -101.85 -23.35 4.41 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-O 120.844 0.354 . . . . 72.239999999999995 111.162 179.972 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 42' ' ' PHE . . . . . 0.639 ' CD1' HG12 ' A' ' 24' ' ' VAL . 11.2 t80 -58.89 -49.3 78.31 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.2 -0.454 . . . . 71.129999999999995 110.929 179.98 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 85.2 m -57.94 -44.18 86.78 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.104 -0.498 . . . . 64.120000000000005 111.15 -179.977 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -59.5 -36.64 76.46 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.242 -0.436 . . . . 35.140000000000001 111.097 179.889 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 45' ' ' VAL . . . . . 0.728 HG13 HD13 ' A' ' 60' ' ' LEU . 72.1 t -70.76 -32.84 50.4 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.237 -0.438 . . . . 72.200000000000003 111.107 -179.977 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 2.2 ttpm? -52.04 -52.79 48.6 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.154 -0.475 . . . . 75.439999999999998 110.896 179.94 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -63.3 -30.01 71.22 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.231 -0.44 . . . . 73.219999999999999 111.114 179.804 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 48' ' ' ALA . . . . . 0.459 ' HB3' ' O ' ' A' ' 45' ' ' VAL . . . -57.29 -28.93 63.46 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.237 -0.438 . . . . 53.299999999999997 111.079 179.928 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 49' ' ' ILE . . . . . 0.631 HG12 ' HB2' ' A' ' 57' ' ' ALA . 53.0 mt -56.45 -55.8 17.17 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.26 -0.427 . . . . 72.450000000000003 111.142 179.996 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -62.19 -23.93 66.91 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.223 -0.444 . . . . 73.540000000000006 111.136 179.771 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -76.97 -49.44 15.47 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.242 -0.436 . . . . 71.319999999999993 110.93 179.958 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 52' ' ' GLN . . . . . . . . . . . . . 28.4 mm-40 -108.17 -70.98 0.78 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.208 -0.451 . . . . 64.200000000000003 110.939 179.921 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . 169.57 156.45 10.88 Favored Glycine 0 N--CA 1.451 -0.303 0 C-N-CA 120.793 -0.718 . . . . 75.530000000000001 112.556 -179.965 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 54' ' ' ILE . . . . . 0.521 ' HA ' HG23 ' A' ' 49' ' ' ILE . 51.3 mt -53.81 -43.35 56.18 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-O 120.929 0.395 . . . . 54.539999999999999 111.16 179.971 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 8.8 ptpp? -56.73 -43.55 80.76 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.14 -0.482 . . . . 62.5 110.883 179.901 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -65.22 -29.86 70.7 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.2 -0.454 . . . . 73.25 110.913 179.862 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 57' ' ' ALA . . . . . 0.631 ' HB2' HG12 ' A' ' 49' ' ' ILE . . . -59.71 -41.28 90.44 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.198 -0.455 . . . . 73.209999999999994 111.102 179.807 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 58' ' ' ILE . . . . . 0.444 ' O ' HG23 ' A' ' 2' ' ' VAL . 61.3 mt -56.56 -58.0 7.12 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.179 -0.464 . . . . 53.420000000000002 111.165 179.992 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 59' ' ' GLN . . . . . . . . . . . . . 10.3 mm100 -53.51 -32.42 50.31 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.168 -0.469 . . . . 74.310000000000002 110.923 179.943 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 60' ' ' LEU . . . . . 0.728 HD13 HG13 ' A' ' 45' ' ' VAL . 1.3 mt . . . . . 0 C--N 1.328 -0.36 0 CA-C-N 116.185 -0.461 . . . . 72.510000000000005 110.911 179.973 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 1' ' ' LEU . . . . . 0.708 HD12 HG13 ' A' ' 6' ' ' ILE . 4.3 mm? . . . . . 0 C--O 1.231 0.104 0 CA-C-O 120.854 0.359 . . . . 73.349999999999994 110.961 . . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 2' ' ' VAL . . . . . 0.691 HG22 ' HA ' ' A' ' 8' ' ' GLN . 66.7 t -60.41 -51.41 73.29 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.18 -0.464 . . . . 62.140000000000001 111.111 179.83 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . -64.95 -27.22 68.69 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.209 -0.45 . . . . 73.120000000000005 111.108 179.891 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 4' ' ' TYR . . . . . . . . . . . . . 2.3 m-85 -73.92 -50.98 17.58 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.206 -0.452 . . . . 72.209999999999994 110.909 -179.831 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . 163.05 -26.18 0.22 Allowed Glycine 0 N--CA 1.452 -0.292 0 C-N-CA 120.708 -0.758 . . . . 61.420000000000002 112.486 179.958 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 6' ' ' ILE . . . . . 0.708 HG13 HD12 ' A' ' 1' ' ' LEU . 48.1 mm -61.49 138.94 21.34 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-O 120.779 0.323 . . . . 73.019999999999996 111.149 -179.962 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -51.45 143.16 12.38 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.169 -0.469 . . . . 64.299999999999997 111.087 179.819 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 8' ' ' GLN . . . . . 0.691 ' HA ' HG22 ' A' ' 2' ' ' VAL . 26.6 tt0 -67.97 -56.94 7.13 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.215 -0.448 . . . . 62.329999999999998 110.894 -179.903 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -52.17 -42.31 55.17 Favored Glycine 0 N--CA 1.451 -0.341 0 C-N-CA 120.745 -0.741 . . . . 65.340000000000003 112.501 179.984 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 27.4 m -77.03 -25.7 52.87 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-O 120.758 0.313 . . . . 72.430000000000007 111.141 -179.847 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 11' ' ' ALA . . . . . 0.655 ' O ' HG23 ' A' ' 15' ' ' VAL . . . -50.79 -39.02 51.62 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.195 -0.457 . . . . 61.539999999999999 111.106 179.927 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 3.3 tt0 -71.89 -33.86 68.69 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.227 -0.442 . . . . 75.530000000000001 110.874 -179.961 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 34.9 mttm -69.45 -54.45 14.26 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.126 -0.488 . . . . 63.520000000000003 110.92 179.963 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 14' ' ' VAL . . . . . 0.406 HG13 ' N ' ' A' ' 15' ' ' VAL . 4.1 p -52.74 -43.07 43.77 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.216 -0.447 . . . . 65.239999999999995 111.127 179.892 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 15' ' ' VAL . . . . . 0.655 HG23 ' O ' ' A' ' 11' ' ' ALA . 55.6 t -55.4 -45.76 78.25 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.148 -0.478 . . . . 53.200000000000003 111.139 179.915 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 1.3 t -57.04 -32.55 66.31 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.203 -0.453 . . . . 43.130000000000003 110.925 -179.911 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 17' ' ' LEU . . . . . 0.485 HD12 HD12 ' A' ' 22' ' ' LEU . 2.4 mm? -71.54 -27.67 63.34 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.116 -0.493 . . . . 70.510000000000005 110.932 179.955 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 18' ' ' ILE . . . . . 0.404 HD11 ' CZ ' ' A' ' 42' ' ' PHE . 19.7 mt -63.26 -46.85 94.62 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.227 -0.442 . . . . 64.129999999999995 111.136 179.833 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 13.1 t-20 -58.83 -21.91 57.65 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.21 -0.45 . . . . 73.0 110.864 179.926 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 20' ' ' ALA . . . . . 0.433 ' HB3' ' O ' ' A' ' 17' ' ' LEU . . . -64.9 -20.09 66.26 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.212 -0.449 . . . . 62.420000000000002 111.105 179.903 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . 102.96 -5.31 50.16 Favored Glycine 0 N--CA 1.451 -0.303 0 C-N-CA 120.712 -0.756 . . . . 42.130000000000003 112.495 -179.959 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 22' ' ' LEU . . . . . 0.632 HD22 ' CB ' ' A' ' 26' ' ' SER . 75.3 mt -67.68 126.29 28.91 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-O 120.923 0.392 . . . . 51.130000000000003 110.895 -179.909 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 5.8 p -76.75 173.19 11.95 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.142 -0.481 . . . . 71.010000000000005 111.135 179.959 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 24' ' ' VAL . . . . . 0.539 HG12 ' HB3' ' A' ' 42' ' ' PHE . 22.1 m -51.4 -30.33 10.46 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.231 -0.44 . . . . 73.430000000000007 111.133 179.932 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . -64.36 -43.1 97.32 Favored Glycine 0 N--CA 1.451 -0.328 0 C-N-CA 120.762 -0.732 . . . . 71.030000000000001 112.485 179.939 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 26' ' ' SER . . . . . 0.632 ' CB ' HD22 ' A' ' 22' ' ' LEU . 2.4 m -70.7 -32.22 69.37 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.824 0.345 . . . . 72.019999999999996 110.871 -179.741 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 42.7 mm -60.55 -54.9 28.76 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-N 116.15 -0.477 . . . . 74.030000000000001 111.147 179.896 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 28' ' ' ILE . . . . . . . . . . . . . 50.3 mm -53.63 -34.42 24.14 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.169 -0.469 . . . . 72.150000000000006 111.154 179.881 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 34.2 t -62.87 -33.03 74.42 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.119 -0.491 . . . . 62.43 110.881 -179.931 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 30' ' ' ILE . . . . . . . . . . . . . 50.1 mm -70.07 -25.17 27.19 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.156 -0.475 . . . . 75.329999999999998 111.132 179.947 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 4.1 tp -82.47 -25.76 33.26 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.192 -0.458 . . . . 74.409999999999997 110.89 179.914 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . 127.96 -21.59 5.54 Favored Glycine 0 N--CA 1.451 -0.346 0 C-N-CA 120.805 -0.712 . . . . 70.400000000000006 112.514 179.899 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 33' ' ' GLY . . . . . 0.429 ' O ' HG23 ' A' ' 36' ' ' VAL . . . 94.83 -4.65 68.71 Favored Glycine 0 N--CA 1.452 -0.292 0 C-N-CA 120.756 -0.735 . . . . 75.010000000000005 112.514 -179.907 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 34' ' ' VAL . . . . . . . . . . . . . 18.0 m -74.0 -8.8 12.19 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-O 120.884 0.373 . . . . 75.239999999999995 111.108 -179.997 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 35' ' ' THR . . . . . 0.611 HG21 HD12 ' A' ' 38' ' ' LEU . 0.0 OUTLIER -78.8 -69.82 0.54 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.233 -0.44 . . . . 75.420000000000002 111.113 -179.978 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 36' ' ' VAL . . . . . 0.429 HG23 ' O ' ' A' ' 33' ' ' GLY . 30.3 t 53.11 77.26 0.07 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.196 -0.456 . . . . 62.219999999999999 111.113 179.925 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 157.78 -39.2 0.54 Allowed Glycine 0 N--CA 1.451 -0.325 0 C-N-CA 120.749 -0.739 . . . . 73.430000000000007 112.533 179.975 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 38' ' ' LEU . . . . . 0.611 HD12 HG21 ' A' ' 35' ' ' THR . 0.9 OUTLIER -58.63 -25.34 62.6 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.795 0.331 . . . . 63.420000000000002 110.892 -179.933 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -54.81 -30.96 58.53 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.172 -0.467 . . . . 71.030000000000001 110.851 -179.892 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . -75.39 -21.78 76.91 Favored Glycine 0 N--CA 1.451 -0.305 0 C-N-CA 120.76 -0.733 . . . . 52.350000000000001 112.472 -179.999 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 41' ' ' VAL . . . . . 0.605 ' O ' HG23 ' A' ' 45' ' ' VAL . 98.5 t -93.56 -31.56 4.58 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-O 120.869 0.366 . . . . 75.319999999999993 111.152 -179.966 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 42' ' ' PHE . . . . . 0.539 ' HB3' HG12 ' A' ' 24' ' ' VAL . 5.4 t80 -65.04 -48.34 74.18 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.141 -0.482 . . . . 63.509999999999998 110.839 -179.963 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 43' ' ' THR . . . . . 0.423 ' HB ' HG11 ' A' ' 24' ' ' VAL . 4.4 t -54.07 -40.92 67.63 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.118 -0.492 . . . . 73.150000000000006 111.175 -179.905 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -66.45 -36.64 83.27 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.208 -0.451 . . . . 64.219999999999999 111.096 179.867 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 45' ' ' VAL . . . . . 0.679 HG11 HD21 ' A' ' 1' ' ' LEU . 93.6 t -70.9 -36.69 65.13 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.191 -0.459 . . . . 74.239999999999995 111.137 179.971 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 11.7 tttp -51.88 -51.13 58.95 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.184 -0.462 . . . . 74.019999999999996 110.953 179.874 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -63.03 -30.5 71.65 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.232 -0.44 . . . . 74.109999999999999 111.117 179.793 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 48' ' ' ALA . . . . . 0.424 ' HB3' ' O ' ' A' ' 45' ' ' VAL . . . -59.63 -39.56 84.72 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.225 -0.443 . . . . 61.32 111.08 179.923 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 49' ' ' ILE . . . . . 0.546 HG12 ' HB2' ' A' ' 57' ' ' ALA . 73.6 mt -56.0 -56.01 15.17 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.344 0 CA-C-N 116.253 -0.43 . . . . 72.129999999999995 111.117 179.985 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -64.6 -20.55 66.32 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.185 -0.461 . . . . 50.450000000000003 111.071 179.854 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -76.85 -59.37 2.8 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.259 -0.428 . . . . 75.329999999999998 110.882 179.973 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 52' ' ' GLN . . . . . . . . . . . . . 37.8 mm-40 -100.59 -74.96 0.59 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.184 -0.462 . . . . 74.340000000000003 110.909 179.985 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . 175.93 153.91 10.96 Favored Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 120.756 -0.735 . . . . 62.039999999999999 112.483 -179.976 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 54' ' ' ILE . . . . . . . . . . . . . 15.8 pt -51.64 -36.02 17.96 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-O 120.847 0.356 . . . . 61.229999999999997 111.1 -179.981 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 9.1 ptpp? -57.11 -46.05 82.93 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.203 -0.453 . . . . 60.539999999999999 110.92 179.871 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 35.1 mmtm -66.35 -33.04 74.82 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.235 -0.439 . . . . 24.440000000000001 110.887 179.846 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 57' ' ' ALA . . . . . 0.546 ' HB2' HG12 ' A' ' 49' ' ' ILE . . . -55.45 -41.12 72.45 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.199 -0.455 . . . . 64.310000000000002 111.171 179.842 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 58' ' ' ILE . . . . . 0.511 ' O ' HG23 ' A' ' 2' ' ' VAL . 63.6 mt -56.24 -60.02 2.27 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.207 -0.451 . . . . 73.409999999999997 111.15 179.953 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 59' ' ' GLN . . . . . . . . . . . . . 47.7 mt-30 -56.5 -27.29 56.83 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.158 -0.474 . . . . 64.019999999999996 110.927 179.921 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER . . . . . 0 C--N 1.329 -0.307 0 CA-C-N 116.195 -0.457 . . . . 61.240000000000002 110.944 -179.97 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 1' ' ' LEU . . . . . 0.616 HD23 HG21 ' A' ' 45' ' ' VAL . 10.7 mt . . . . . 0 C--O 1.231 0.101 0 CA-C-O 120.84 0.353 . . . . 75.519999999999996 110.866 . . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 2' ' ' VAL . . . . . 0.598 HG22 ' HA ' ' A' ' 8' ' ' GLN . 51.3 t -63.05 -48.97 85.37 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.224 -0.443 . . . . 72.450000000000003 111.136 179.857 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . -64.01 -29.96 71.07 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.109 -0.496 . . . . 63.329999999999998 111.113 179.856 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 4' ' ' TYR . . . . . 0.573 ' CE2' HG13 ' A' ' 41' ' ' VAL . 0.1 OUTLIER -74.13 -49.34 24.23 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.242 -0.435 . . . . 74.549999999999997 110.919 -179.852 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . 161.79 -25.45 0.24 Allowed Glycine 0 N--CA 1.451 -0.307 0 C-N-CA 120.71 -0.757 . . . . 61.299999999999997 112.477 179.969 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 6' ' ' ILE . . . . . 0.502 HD12 ' HA ' ' A' ' 1' ' ' LEU . 33.6 mt -56.94 136.88 19.55 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-O 120.843 0.354 . . . . 70.219999999999999 111.08 -179.906 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -51.61 134.33 29.84 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.138 -0.483 . . . . 61.210000000000001 111.079 179.804 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 8' ' ' GLN . . . . . 0.598 ' HA ' HG22 ' A' ' 2' ' ' VAL . 39.4 tt0 -67.83 -55.09 14.28 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.216 -0.447 . . . . 72.219999999999999 110.929 -179.957 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -52.19 -42.67 55.92 Favored Glycine 0 N--CA 1.451 -0.35 0 C-N-CA 120.708 -0.758 . . . . 74.140000000000001 112.481 -179.944 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 10' ' ' THR . . . . . 0.699 ' O ' HG23 ' A' ' 14' ' ' VAL . 95.7 m -75.71 -40.43 55.73 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 120.777 0.323 . . . . 70.329999999999998 111.141 -179.879 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 11' ' ' ALA . . . . . 0.741 ' O ' HG23 ' A' ' 15' ' ' VAL . . . -51.37 -30.97 20.66 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.222 -0.445 . . . . 55.140000000000001 111.117 179.841 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 14.2 tt0 -58.4 -57.08 14.48 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.209 -0.45 . . . . 72.099999999999994 110.896 -179.943 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 18.6 ptmt -68.42 -33.87 74.99 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.151 -0.477 . . . . 74.530000000000001 110.886 179.981 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 14' ' ' VAL . . . . . 0.699 HG23 ' O ' ' A' ' 10' ' ' THR . 91.7 t -57.39 -35.01 47.81 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.26 -0.427 . . . . 72.439999999999998 111.103 179.875 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 15' ' ' VAL . . . . . 0.741 HG23 ' O ' ' A' ' 11' ' ' ALA . 97.7 t -55.36 -48.12 77.22 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.137 -0.483 . . . . 72.450000000000003 111.119 179.95 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 18.1 t -53.01 -32.96 49.5 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.166 -0.47 . . . . 74.239999999999995 110.846 -179.858 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 17' ' ' LEU . . . . . 0.533 HD23 HD13 ' A' ' 30' ' ' ILE . 1.8 mp -71.36 -33.67 69.77 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.196 -0.456 . . . . 75.519999999999996 110.901 -179.983 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 18' ' ' ILE . . . . . . . . . . . . . 28.6 mt -65.22 -49.56 78.37 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.361 0 CA-C-N 116.206 -0.452 . . . . 62.219999999999999 111.106 179.843 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 3.2 m120 -57.71 -24.48 57.1 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.201 -0.454 . . . . 61.119999999999997 110.87 179.933 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -64.95 -20.08 66.28 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.162 -0.472 . . . . 44.119999999999997 111.079 179.892 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . 96.82 12.37 50.38 Favored Glycine 0 N--CA 1.451 -0.301 0 C-N-CA 120.716 -0.754 . . . . 74.230000000000004 112.442 -179.997 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 4.2 mm? -74.91 140.25 43.65 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-O 120.917 0.389 . . . . 74.040000000000006 110.919 -179.925 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 39.9 p -82.73 160.39 22.35 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.202 -0.453 . . . . 52.210000000000001 111.152 179.93 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 24' ' ' VAL . . . . . 0.696 HG21 ' HA ' ' A' ' 39' ' ' SER . 11.8 p -51.42 -30.52 10.81 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.196 -0.456 . . . . 74.340000000000003 111.132 179.938 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . -53.07 -43.95 62.58 Favored Glycine 0 N--CA 1.451 -0.338 0 C-N-CA 120.744 -0.741 . . . . 63.340000000000003 112.471 179.959 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 1.1 t -69.89 -34.83 74.06 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.809 0.338 . . . . 51.240000000000002 110.852 -179.702 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 27' ' ' ILE . . . . . 0.835 ' HA ' HD12 ' A' ' 30' ' ' ILE . 35.3 mm -60.38 -39.1 79.96 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.161 -0.472 . . . . 71.349999999999994 111.154 179.905 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 28' ' ' ILE . . . . . 0.495 HG23 ' OG1' ' A' ' 35' ' ' THR . 60.3 mt -60.43 -45.5 96.68 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.179 -0.464 . . . . 73.439999999999998 111.104 179.877 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 14.3 t -63.43 -31.41 72.56 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.204 -0.453 . . . . 42.119999999999997 110.896 -179.912 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 30' ' ' ILE . . . . . 0.835 HD12 ' HA ' ' A' ' 27' ' ' ILE . 28.4 mt -70.02 -61.13 1.81 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.13 -0.486 . . . . 71.439999999999998 111.099 179.937 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 31' ' ' LEU . . . . . 0.767 HD12 HG21 ' A' ' 35' ' ' THR . 61.9 mt -60.79 -42.33 97.37 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.181 -0.463 . . . . 74.109999999999999 110.935 179.901 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . 51.48 30.97 27.83 Favored Glycine 0 N--CA 1.451 -0.356 0 C-N-CA 120.804 -0.713 . . . . 71.329999999999998 112.476 179.943 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -128.15 70.85 0.5 Allowed Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 120.773 -0.727 . . . . 22.539999999999999 112.537 -179.966 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 34' ' ' VAL . . . . . . . . . . . . . 8.5 t 49.41 50.97 0.4 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-O 120.935 0.397 . . . . 65.030000000000001 111.132 -179.991 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 35' ' ' THR . . . . . 0.767 HG21 HD12 ' A' ' 31' ' ' LEU . 0.0 OUTLIER -87.49 8.65 23.93 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.191 -0.459 . . . . 72.519999999999996 111.192 -179.969 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 36' ' ' VAL . . . . . . . . . . . . . 55.3 t -55.83 -24.78 17.54 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.169 -0.468 . . . . 51.329999999999998 111.104 179.932 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . -90.75 -21.35 37.02 Favored Glycine 0 N--CA 1.452 -0.243 0 C-N-CA 120.701 -0.762 . . . . 74.340000000000003 112.505 179.98 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 38' ' ' LEU . . . . . 0.472 ' HG ' HG22 ' A' ' 35' ' ' THR . 4.3 mm? -66.2 -17.97 65.06 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.805 0.336 . . . . 72.239999999999995 110.911 -179.938 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 39' ' ' SER . . . . . 0.696 ' HA ' HG21 ' A' ' 24' ' ' VAL . 82.7 p -52.61 -29.17 24.51 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.18 -0.463 . . . . 63.530000000000001 110.831 -179.883 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . -99.0 -12.21 43.68 Favored Glycine 0 N--CA 1.452 -0.291 0 C-N-CA 120.745 -0.741 . . . . 72.329999999999998 112.433 -179.956 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 41' ' ' VAL . . . . . 0.573 HG13 ' CE2' ' A' ' 4' ' ' TYR . 93.7 t -93.26 -59.08 3.23 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-O 120.839 0.352 . . . . 43.43 111.105 -179.959 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 42' ' ' PHE . . . . . . . . . . . . . 2.6 t80 -51.87 -31.3 27.39 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.178 -0.465 . . . . 71.209999999999994 110.877 -179.967 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -61.7 -53.36 57.12 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.16 -0.473 . . . . 54.130000000000003 111.126 -179.914 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -58.94 -34.93 72.3 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.227 -0.442 . . . . 44.109999999999999 111.104 179.883 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 45' ' ' VAL . . . . . 0.616 HG21 HD23 ' A' ' 1' ' ' LEU . 87.4 t -64.76 -46.26 92.66 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.232 -0.44 . . . . 73.219999999999999 111.108 179.986 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 7.0 mtpm? -54.97 -45.2 74.95 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.177 -0.465 . . . . 74.349999999999994 110.916 179.936 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -63.43 -36.47 83.85 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.209 -0.45 . . . . 73.540000000000006 111.073 179.861 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -58.39 -32.28 68.46 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.224 -0.444 . . . . 70.409999999999997 111.12 179.937 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 49' ' ' ILE . . . . . . . . . . . . . 78.8 mt -56.15 -55.78 16.7 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.194 -0.457 . . . . 40.119999999999997 111.173 179.926 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -64.36 -22.73 67.05 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.119 -0.491 . . . . 74.409999999999997 111.053 179.851 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER -76.84 -47.97 19.81 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.223 -0.444 . . . . 70.030000000000001 110.95 179.936 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 52' ' ' GLN . . . . . . . . . . . . . 23.2 mm-40 -122.13 -67.53 0.95 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.169 -0.469 . . . . 65.129999999999995 110.902 179.98 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . 170.71 156.32 11.31 Favored Glycine 0 N--CA 1.451 -0.307 0 C-N-CA 120.748 -0.739 . . . . 72.040000000000006 112.466 -179.976 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 54' ' ' ILE . . . . . . . . . . . . . 16.7 pt -51.7 -35.35 17.36 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-O 120.94 0.4 . . . . 73.030000000000001 111.165 -179.994 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -56.56 -42.95 79.46 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.163 -0.471 . . . . 72.340000000000003 110.873 179.863 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -66.31 -35.36 80.17 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.226 -0.443 . . . . 71.409999999999997 110.931 179.846 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -56.33 -33.93 66.08 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.219 -0.446 . . . . 54.399999999999999 111.087 179.86 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 58' ' ' ILE . . . . . 0.551 ' O ' HG23 ' A' ' 2' ' ' VAL . 78.7 mt -56.39 -58.34 5.69 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.219 -0.446 . . . . 72.299999999999997 111.088 179.987 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 59' ' ' GLN . . . . . . . . . . . . . 67.6 mt-30 -56.1 -29.72 61.02 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.166 -0.47 . . . . 54.130000000000003 110.912 179.962 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER . . . . . 0 C--N 1.329 -0.318 0 CA-C-N 116.212 -0.449 . . . . 75.109999999999999 110.931 179.981 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 1' ' ' LEU . . . . . 0.632 HD22 HG13 ' A' ' 6' ' ' ILE . 40.6 mt . . . . . 0 C--O 1.231 0.089 0 CA-C-O 120.893 0.378 . . . . 75.319999999999993 110.9 . . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 2' ' ' VAL . . . . . 0.565 HG22 ' HA ' ' A' ' 8' ' ' GLN . 48.5 t -62.99 -49.19 84.54 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.252 0 CA-C-N 116.158 -0.474 . . . . 71.129999999999995 111.146 179.867 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . -64.16 -29.17 70.3 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.185 -0.462 . . . . 70.219999999999999 111.062 179.892 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 4' ' ' TYR . . . . . 0.586 ' OH ' HG11 ' A' ' 41' ' ' VAL . 0.2 OUTLIER -73.97 -50.99 17.43 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.28 -0.418 . . . . 75.209999999999994 110.87 -179.809 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . 163.77 -27.11 0.21 Allowed Glycine 0 N--CA 1.451 -0.351 0 C-N-CA 120.777 -0.725 . . . . 75.519999999999996 112.525 179.998 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 6' ' ' ILE . . . . . 0.632 HG13 HD22 ' A' ' 1' ' ' LEU . 50.8 mm -56.81 135.69 20.35 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-O 120.818 0.342 . . . . 64.299999999999997 111.134 -179.982 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -51.62 135.46 28.5 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.172 -0.467 . . . . 54.439999999999998 111.12 179.801 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 8' ' ' GLN . . . . . 0.565 ' HA ' HG22 ' A' ' 2' ' ' VAL . 6.3 pt20 -68.01 -42.78 80.18 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.238 -0.437 . . . . 73.329999999999998 110.912 -179.909 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -58.01 -47.65 87.72 Favored Glycine 0 N--CA 1.451 -0.336 0 C-N-CA 120.731 -0.747 . . . . 71.129999999999995 112.48 -179.988 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 10' ' ' THR . . . . . 0.712 ' O ' HG23 ' A' ' 14' ' ' VAL . 94.0 m -76.82 -32.93 57.94 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.768 0.318 . . . . 62.009999999999998 111.138 -179.878 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 11' ' ' ALA . . . . . 0.753 ' O ' HG23 ' A' ' 15' ' ' VAL . . . -51.66 -48.16 63.53 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.22 -0.445 . . . . 72.310000000000002 111.151 179.844 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 18.3 mt-10 -51.97 -48.64 64.25 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.233 -0.44 . . . . 73.219999999999999 110.871 -179.961 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 61.1 mttm -68.43 -39.35 81.58 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.197 -0.456 . . . . 75.439999999999998 110.889 179.97 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 14' ' ' VAL . . . . . 0.712 HG23 ' O ' ' A' ' 10' ' ' THR . 99.6 t -61.24 -34.98 62.98 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.188 -0.46 . . . . 74.25 111.165 179.847 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 15' ' ' VAL . . . . . 0.753 HG23 ' O ' ' A' ' 11' ' ' ALA . 98.9 t -55.48 -38.78 50.56 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.158 -0.474 . . . . 73.129999999999995 111.077 179.948 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 3.9 t -61.13 -33.85 74.05 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.187 -0.46 . . . . 70.439999999999998 110.865 -179.836 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 4.4 mp -71.3 -37.95 71.8 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.129 -0.487 . . . . 74.340000000000003 110.912 179.987 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 18' ' ' ILE . . . . . . . . . . . . . 34.3 mt -65.03 -50.04 76.65 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.199 -0.455 . . . . 71.200000000000003 111.152 179.831 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 57.4 m-80 -58.84 -26.73 64.46 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.128 -0.487 . . . . 55.329999999999998 110.848 179.969 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 20' ' ' ALA . . . . . 0.464 ' HB3' HD23 ' A' ' 22' ' ' LEU . . . -64.96 -20.04 66.28 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.168 -0.469 . . . . 22.309999999999999 111.112 179.866 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . 94.15 17.75 39.15 Favored Glycine 0 N--CA 1.451 -0.309 0 C-N-CA 120.705 -0.76 . . . . 63.299999999999997 112.534 -179.93 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 22' ' ' LEU . . . . . 0.464 HD23 ' HB3' ' A' ' 20' ' ' ALA . 4.1 mm? -74.85 141.17 44.26 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.853 0.358 . . . . 75.129999999999995 110.922 -179.919 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 19.1 p -76.81 157.68 31.38 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.218 -0.447 . . . . 71.030000000000001 111.135 179.932 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 18.3 m -51.37 -30.26 10.25 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.203 -0.453 . . . . 44.25 111.175 179.866 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . -53.28 -52.18 42.28 Favored Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 120.788 -0.72 . . . . 70.450000000000003 112.489 179.939 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 30.0 t -63.82 -26.75 68.76 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.873 0.368 . . . . 70.049999999999997 110.911 -179.754 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 27' ' ' ILE . . . . . 0.489 HG22 ' HG ' ' A' ' 31' ' ' LEU . 25.4 mm -67.82 -47.39 79.66 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 116.093 -0.503 . . . . 74.209999999999994 111.149 179.916 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 28' ' ' ILE . . . . . 0.592 HD13 HD12 ' A' ' 31' ' ' LEU . 40.2 mm -51.85 -32.99 15.25 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.172 -0.467 . . . . 72.409999999999997 111.13 179.827 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 23.1 t -60.35 -50.64 72.8 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.21 -0.45 . . . . 74.0 110.872 -179.921 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 30' ' ' ILE . . . . . . . . . . . . . 39.2 mm -77.27 -25.82 15.35 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.109 -0.496 . . . . 72.319999999999993 111.081 179.979 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 31' ' ' LEU . . . . . 0.682 ' HB3' HG21 ' A' ' 35' ' ' THR . 47.3 mt -63.77 -24.42 67.76 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.225 -0.443 . . . . 63.210000000000001 110.956 179.893 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . 128.16 -38.14 2.14 Favored Glycine 0 N--CA 1.451 -0.339 0 C-N-CA 120.704 -0.76 . . . . 41.340000000000003 112.479 179.887 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . 130.31 146.43 5.95 Favored Glycine 0 N--CA 1.452 -0.292 0 C-N-CA 120.723 -0.751 . . . . 52.409999999999997 112.475 -179.921 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 34' ' ' VAL . . . . . 0.419 ' O ' HG12 ' A' ' 34' ' ' VAL . 3.2 t 51.14 28.16 0.14 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-O 120.922 0.391 . . . . 65.310000000000002 111.116 -179.962 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 35' ' ' THR . . . . . 0.682 HG21 ' HB3' ' A' ' 31' ' ' LEU . 2.6 p -88.68 10.29 21.23 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.169 -0.469 . . . . 74.340000000000003 111.122 -179.957 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 36' ' ' VAL . . . . . . . . . . . . . 14.9 p -51.1 -29.23 7.85 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.195 -0.457 . . . . 63.32 111.126 179.93 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . -56.23 -64.64 4.21 Favored Glycine 0 N--CA 1.451 -0.325 0 C-N-CA 120.742 -0.742 . . . . 55.020000000000003 112.5 179.984 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 38' ' ' LEU . . . . . 0.615 ' O ' HG22 ' A' ' 41' ' ' VAL . 1.8 mt -66.48 -28.11 68.32 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.834 0.35 . . . . 63.439999999999998 110.901 -179.911 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -60.58 -19.97 59.15 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.156 -0.475 . . . . 64.209999999999994 110.863 -179.93 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . -51.96 -27.64 22.27 Favored Glycine 0 N--CA 1.452 -0.275 0 C-N-CA 120.713 -0.756 . . . . 64.549999999999997 112.471 -179.97 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 41' ' ' VAL . . . . . 0.728 ' O ' HG23 ' A' ' 45' ' ' VAL . 19.1 m -94.79 -21.99 5.57 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-O 120.823 0.344 . . . . 73.409999999999997 111.116 -179.962 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 42' ' ' PHE . . . . . . . . . . . . . 5.3 t80 -51.67 -42.37 62.09 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.15 -0.477 . . . . 74.140000000000001 110.892 -179.964 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -62.21 -46.33 89.39 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.149 -0.478 . . . . 73.099999999999994 111.153 -179.903 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -66.55 -34.04 77.01 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.196 -0.456 . . . . 51.229999999999997 111.061 179.888 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 45' ' ' VAL . . . . . 0.728 HG23 ' O ' ' A' ' 41' ' ' VAL . 98.9 t -63.55 -41.43 92.64 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.236 -0.438 . . . . 75.329999999999998 111.1 179.998 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 1.7 tmmm? -54.83 -39.7 68.83 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.181 -0.463 . . . . 74.409999999999997 110.915 179.921 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -62.83 -32.81 74.09 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.204 -0.453 . . . . 74.310000000000002 111.134 179.8 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -57.24 -36.37 70.86 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.175 -0.466 . . . . 61.409999999999997 111.091 179.965 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 49' ' ' ILE . . . . . . . . . . . . . 61.5 mt -56.37 -55.89 16.51 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.231 -0.44 . . . . 75.239999999999995 111.149 179.995 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -63.84 -22.44 66.92 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.184 -0.462 . . . . 73.140000000000001 111.125 179.79 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 15.1 mmmt -76.92 -61.05 2.11 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.199 -0.455 . . . . 63.240000000000002 110.907 179.956 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 52' ' ' GLN . . . . . . . . . . . . . 29.7 mm100 -110.3 -58.55 2.06 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.197 -0.456 . . . . 74.329999999999998 110.906 179.951 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . 161.54 159.04 9.79 Favored Glycine 0 N--CA 1.451 -0.342 0 C-N-CA 120.76 -0.733 . . . . 75.340000000000003 112.52 -179.97 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 54' ' ' ILE . . . . . . . . . . . . . 23.4 pt -51.6 -30.23 11.02 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-O 120.916 0.389 . . . . 71.540000000000006 111.165 -179.973 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 6.2 ptpp? -54.17 -44.63 71.65 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.136 -0.484 . . . . 73.200000000000003 110.854 179.846 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 56' ' ' LYS . . . . . 0.445 ' O ' HD23 ' A' ' 60' ' ' LEU . 11.5 mmmt -64.77 -33.21 75.44 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.254 -0.43 . . . . 73.129999999999995 110.921 179.9 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -64.53 -32.74 74.5 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.208 -0.451 . . . . 73.25 111.104 179.805 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 58' ' ' ILE . . . . . 0.518 ' O ' HG23 ' A' ' 2' ' ' VAL . 70.5 mt -63.54 -60.67 2.39 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.208 -0.451 . . . . 74.299999999999997 111.148 179.974 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 59' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -60.51 -26.43 66.85 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.181 -0.463 . . . . 55.240000000000002 110.87 179.986 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 60' ' ' LEU . . . . . 0.445 HD23 ' O ' ' A' ' 56' ' ' LYS . 0.6 OUTLIER . . . . . 0 C--N 1.328 -0.335 0 CA-C-N 116.184 -0.462 . . . . 61.219999999999999 110.971 179.992 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 1' ' ' LEU . . . . . 0.683 HD13 HG11 ' A' ' 45' ' ' VAL . 6.3 mp . . . . . 0 C--O 1.231 0.091 0 CA-C-O 120.892 0.377 . . . . 54.119999999999997 110.923 . . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 2' ' ' VAL . . . . . 0.577 HG23 ' O ' ' A' ' 58' ' ' ILE . 75.8 t -61.6 -50.7 79.21 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.153 -0.476 . . . . 44.229999999999997 111.117 179.864 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . -64.46 -29.4 70.44 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.157 -0.474 . . . . 73.510000000000005 111.069 179.94 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 4' ' ' TYR . . . . . 0.735 ' CE2' HG21 ' A' ' 41' ' ' VAL . 62.2 t80 -74.14 -51.06 16.77 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.233 -0.44 . . . . 72.230000000000004 110.948 -179.877 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . 164.21 -27.04 0.2 Allowed Glycine 0 N--CA 1.451 -0.355 0 C-N-CA 120.743 -0.741 . . . . 73.010000000000005 112.485 179.963 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 6' ' ' ILE . . . . . 0.822 HD11 HD23 ' A' ' 38' ' ' LEU . 50.8 mm -56.95 132.39 21.18 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-O 120.859 0.361 . . . . 63.520000000000003 111.114 -179.954 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 7' ' ' ALA . . . . . 0.424 ' O ' ' HB2' ' A' ' 11' ' ' ALA . . . -51.66 145.97 8.45 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.202 -0.454 . . . . 75.310000000000002 111.093 179.817 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 10.5 mt-30 -68.01 -56.92 7.17 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.21 -0.45 . . . . 55.43 110.89 -179.911 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -54.72 -41.53 75.13 Favored Glycine 0 N--CA 1.452 -0.291 0 C-N-CA 120.753 -0.737 . . . . 41.329999999999998 112.486 -179.957 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 10' ' ' THR . . . . . 0.705 ' O ' HG23 ' A' ' 14' ' ' VAL . 18.0 m -75.39 -32.83 60.91 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-O 120.792 0.33 . . . . 53.549999999999997 111.144 -179.84 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 11' ' ' ALA . . . . . 0.732 ' O ' HG23 ' A' ' 15' ' ' VAL . . . -52.22 -51.93 55.39 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.202 -0.453 . . . . 71.340000000000003 111.109 179.878 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 20.0 tt0 -52.76 -49.44 65.51 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.244 -0.434 . . . . 63.409999999999997 110.862 -179.91 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 14.3 ttmm -62.29 -45.8 91.61 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.142 -0.481 . . . . 54.399999999999999 110.948 179.935 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 14' ' ' VAL . . . . . 0.705 HG23 ' O ' ' A' ' 10' ' ' THR . 92.0 t -57.0 -35.63 48.12 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.227 -0.442 . . . . 75.200000000000003 111.141 179.858 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 15' ' ' VAL . . . . . 0.732 HG23 ' O ' ' A' ' 11' ' ' ALA . 81.4 t -55.77 -45.45 79.45 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.184 -0.462 . . . . 65.019999999999996 111.149 179.851 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 23.2 t -57.08 -35.6 69.58 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.216 -0.447 . . . . 72.400000000000006 110.883 -179.855 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 17' ' ' LEU . . . . . 0.435 ' O ' ' HB3' ' A' ' 20' ' ' ALA . 3.2 mp -65.14 -34.97 79.66 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.128 -0.487 . . . . 74.319999999999993 110.921 179.956 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 18' ' ' ILE . . . . . . . . . . . . . 17.5 mt -65.76 -50.05 73.38 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.198 -0.455 . . . . 71.040000000000006 111.115 179.882 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 3.2 t-20 -59.92 -18.87 48.29 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.153 -0.476 . . . . 64.530000000000001 110.888 179.95 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 20' ' ' ALA . . . . . 0.435 ' HB3' ' O ' ' A' ' 17' ' ' LEU . . . -64.19 -20.08 65.77 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.153 -0.476 . . . . 74.129999999999995 111.103 179.87 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . 80.17 85.9 0.61 Allowed Glycine 0 N--CA 1.451 -0.31 0 C-N-CA 120.737 -0.744 . . . . 73.120000000000005 112.479 -179.937 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 22' ' ' LEU . . . . . 0.684 HD13 ' HB3' ' A' ' 26' ' ' SER . 4.1 pp -162.22 166.77 25.05 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.857 0.361 . . . . 74.219999999999999 110.916 -179.925 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER -76.65 144.42 39.47 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.195 -0.457 . . . . 52.009999999999998 111.162 179.907 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 24' ' ' VAL . . . . . 0.507 HG22 ' HD2' ' A' ' 42' ' ' PHE . 35.4 t -51.49 -29.92 10.23 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.212 -0.449 . . . . 72.109999999999999 111.125 179.915 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . -53.0 -34.2 45.86 Favored Glycine 0 N--CA 1.451 -0.303 0 C-N-CA 120.749 -0.739 . . . . 73.519999999999996 112.507 179.985 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 26' ' ' SER . . . . . 0.684 ' HB3' HD13 ' A' ' 22' ' ' LEU . 1.2 t -63.32 -26.91 68.98 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.895 0.379 . . . . 63.009999999999998 110.875 -179.742 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 28.9 mm -66.31 -45.52 89.47 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.112 -0.495 . . . . 73.219999999999999 111.155 179.951 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 28' ' ' ILE . . . . . 0.648 HG23 ' OG1' ' A' ' 35' ' ' THR . 30.8 mt -60.42 -38.65 78.58 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.164 -0.471 . . . . 75.239999999999995 111.132 179.845 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 5.0 t -55.83 -33.58 64.61 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.128 -0.487 . . . . 45.340000000000003 110.841 -179.886 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 30' ' ' ILE . . . . . . . . . . . . . 22.0 mt -77.39 -60.99 1.86 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.136 -0.484 . . . . 65.219999999999999 111.124 179.969 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 31' ' ' LEU . . . . . 1.038 HD13 HG21 ' A' ' 35' ' ' THR . 3.2 mt -51.87 -42.12 62.4 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.223 -0.444 . . . . 65.209999999999994 110.922 179.865 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . 51.99 57.84 11.96 Favored Glycine 0 N--CA 1.451 -0.303 0 C-N-CA 120.714 -0.755 . . . . 74.430000000000007 112.474 179.93 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -159.69 54.9 0.35 Allowed Glycine 0 N--CA 1.451 -0.32 0 C-N-CA 120.689 -0.767 . . . . 65.540000000000006 112.47 -179.924 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 34' ' ' VAL . . . . . . . . . . . . . 10.1 t 49.52 52.56 0.39 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-O 120.899 0.38 . . . . 74.340000000000003 111.136 -179.978 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 35' ' ' THR . . . . . 1.038 HG21 HD13 ' A' ' 31' ' ' LEU . 0.0 OUTLIER -87.53 8.65 24.04 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.186 -0.461 . . . . 60.200000000000003 111.141 -179.945 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 36' ' ' VAL . . . . . . . . . . . . . 6.6 m -55.41 -24.98 16.63 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.204 -0.453 . . . . 63.539999999999999 111.119 179.923 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . -75.45 -44.64 21.05 Favored Glycine 0 N--CA 1.452 -0.275 0 C-N-CA 120.734 -0.746 . . . . 71.450000000000003 112.457 179.995 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 38' ' ' LEU . . . . . 0.822 HD23 HD11 ' A' ' 6' ' ' ILE . 8.6 mp -66.21 -22.08 66.33 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-O 120.783 0.325 . . . . 64.409999999999997 110.89 -179.9 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -54.79 -28.76 51.52 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.19 -0.459 . . . . 73.540000000000006 110.81 -179.886 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . -78.01 -21.92 69.87 Favored Glycine 0 N--CA 1.451 -0.366 0 C-N-CA 120.765 -0.731 . . . . 73.030000000000001 112.495 -179.975 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 41' ' ' VAL . . . . . 0.735 HG21 ' CE2' ' A' ' 4' ' ' TYR . 87.6 t -93.38 -26.04 4.77 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-O 120.822 0.344 . . . . 75.329999999999998 111.157 -179.988 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 42' ' ' PHE . . . . . 0.507 ' HD2' HG22 ' A' ' 24' ' ' VAL . 2.9 t80 -58.1 -50.88 71.96 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.174 -0.466 . . . . 75.530000000000001 110.851 -179.965 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -57.3 -44.77 84.38 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.141 -0.481 . . . . 72.319999999999993 111.172 -179.9 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -58.82 -40.41 84.09 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.163 -0.472 . . . . 31.41 111.093 179.863 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 45' ' ' VAL . . . . . 0.683 HG11 HD13 ' A' ' 1' ' ' LEU . 87.7 t -70.79 -44.05 76.59 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.185 -0.461 . . . . 53.450000000000003 111.121 -179.993 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -52.66 -51.58 59.5 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.131 -0.486 . . . . 74.200000000000003 110.904 179.906 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -55.67 -37.26 68.05 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.189 -0.46 . . . . 75.400000000000006 111.112 179.841 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -57.54 -29.08 64.09 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.181 -0.463 . . . . 72.420000000000002 111.092 179.921 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 49' ' ' ILE . . . . . . . . . . . . . 68.6 mt -56.44 -55.0 21.52 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.2 -0.455 . . . . 64.299999999999997 111.121 -179.964 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -65.36 -23.65 67.04 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.219 -0.446 . . . . 72.430000000000007 111.088 179.814 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER -76.94 -41.01 45.05 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.206 -0.452 . . . . 62.0 110.855 179.992 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 52' ' ' GLN . . . . . . . . . . . . . 22.3 mm100 -123.7 -69.5 0.81 Allowed 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.241 -0.436 . . . . 65.25 110.922 180.0 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . 167.75 156.62 10.19 Favored Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 120.699 -0.762 . . . . 64.409999999999997 112.453 -179.969 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 54' ' ' ILE . . . . . . . . . . . . . 17.0 pt -51.7 -35.26 17.25 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-O 120.924 0.392 . . . . 70.420000000000002 111.151 179.985 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 21.8 pttm -56.94 -44.93 83.0 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.17 -0.468 . . . . 71.140000000000001 110.882 179.847 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 16.7 tppt? -66.41 -33.68 76.25 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.247 -0.433 . . . . 55.299999999999997 110.911 179.872 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -55.43 -36.13 66.15 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.221 -0.445 . . . . 70.230000000000004 111.141 179.794 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 58' ' ' ILE . . . . . 0.577 ' O ' HG23 ' A' ' 2' ' ' VAL . 74.5 mt -59.95 -53.29 50.55 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.205 -0.452 . . . . 71.239999999999995 111.189 179.975 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 59' ' ' GLN . . . . . . . . . . . . . 31.5 mt-30 -55.23 -32.82 62.59 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.149 -0.478 . . . . 73.400000000000006 110.96 179.883 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 C--N 1.328 -0.368 0 CA-C-N 116.211 -0.449 . . . . 64.329999999999998 110.936 179.983 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 1' ' ' LEU . . . . . 0.573 HD13 HG11 ' A' ' 45' ' ' VAL . 6.9 mp . . . . . 0 C--O 1.231 0.114 0 CA-C-O 120.892 0.377 . . . . 72.040000000000006 110.947 . . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 2' ' ' VAL . . . . . 0.592 HG23 ' O ' ' A' ' 58' ' ' ILE . 58.4 t -61.82 -50.94 78.16 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.21 -0.45 . . . . 70.099999999999994 111.086 179.892 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . -64.57 -28.99 70.01 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.215 -0.448 . . . . 52.049999999999997 111.081 179.871 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 4' ' ' TYR . . . . . 0.415 ' CE2' HD13 ' A' ' 38' ' ' LEU . 62.9 t80 -74.11 -51.07 16.8 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.227 -0.442 . . . . 73.439999999999998 110.933 -179.817 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . 164.8 -27.55 0.2 Allowed Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 120.729 -0.748 . . . . 65.510000000000005 112.46 179.951 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 6' ' ' ILE . . . . . 0.66 HD11 ' HG ' ' A' ' 38' ' ' LEU . 49.8 mm -56.86 126.67 14.76 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-O 120.84 0.352 . . . . 54.32 111.116 -179.916 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -51.47 132.97 30.16 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.14 -0.482 . . . . 71.510000000000005 111.088 179.833 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 15.5 pt20 -63.35 -43.08 98.72 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.239 -0.437 . . . . 63.399999999999999 110.874 -179.923 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -54.17 -48.76 62.29 Favored Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 120.731 -0.747 . . . . 51.299999999999997 112.521 -179.991 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 10' ' ' THR . . . . . 0.711 ' O ' HG23 ' A' ' 14' ' ' VAL . 95.4 m -77.05 -31.19 56.01 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-O 120.828 0.347 . . . . 72.109999999999999 111.14 -179.855 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 11' ' ' ALA . . . . . 0.743 ' O ' HG23 ' A' ' 15' ' ' VAL . . . -51.43 -30.92 21.12 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.211 -0.45 . . . . 51.299999999999997 111.073 179.872 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 49.2 mt-10 -58.45 -57.07 14.54 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.222 -0.444 . . . . 60.439999999999998 110.917 -179.93 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 9.5 ptmm? -68.39 -33.93 75.13 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.122 -0.49 . . . . 72.409999999999997 110.875 179.975 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 14' ' ' VAL . . . . . 0.711 HG23 ' O ' ' A' ' 10' ' ' THR . 89.6 t -56.92 -41.1 75.98 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.222 -0.445 . . . . 75.340000000000003 111.115 179.888 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 15' ' ' VAL . . . . . 0.743 HG23 ' O ' ' A' ' 11' ' ' ALA . 94.6 t -56.65 -40.13 67.5 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.25 0 CA-C-N 116.16 -0.473 . . . . 72.140000000000001 111.155 179.924 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 32.9 t -60.14 -37.51 80.31 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.185 -0.461 . . . . 75.120000000000005 110.852 -179.817 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 17' ' ' LEU . . . . . 0.828 HD23 HD13 ' A' ' 30' ' ' ILE . 4.2 mp -64.84 -38.01 89.55 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.11 -0.495 . . . . 61.140000000000001 110.906 -179.997 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 18' ' ' ILE . . . . . . . . . . . . . 31.8 mt -65.21 -50.11 75.48 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.347 0 CA-C-N 116.194 -0.457 . . . . 74.030000000000001 111.112 179.831 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 13.6 t-20 -58.79 -26.3 63.95 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.166 -0.47 . . . . 64.329999999999998 110.914 179.957 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -65.01 -20.09 66.33 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.171 -0.468 . . . . 61.32 111.075 179.841 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . 94.77 18.57 34.45 Favored Glycine 0 N--CA 1.45 -0.377 0 C-N-CA 120.749 -0.739 . . . . 64.430000000000007 112.524 -179.933 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 25.9 mt -70.84 156.7 39.24 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.893 0.377 . . . . 72.530000000000001 110.888 -179.896 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 26.7 p -84.34 147.52 27.14 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.196 -0.456 . . . . 65.319999999999993 111.111 179.945 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 24' ' ' VAL . . . . . 0.419 HG21 ' O ' ' A' ' 39' ' ' SER . 6.4 p -51.34 -38.48 20.0 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.326 0 CA-C-N 116.204 -0.453 . . . . 64.510000000000005 111.136 179.888 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . -65.8 -33.92 87.24 Favored Glycine 0 N--CA 1.452 -0.298 0 C-N-CA 120.713 -0.756 . . . . 41.539999999999999 112.484 179.951 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 44.8 t -64.68 -26.89 68.57 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.819 0.342 . . . . 61.43 110.832 -179.722 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 27' ' ' ILE . . . . . 0.813 ' HA ' HD12 ' A' ' 30' ' ' ILE . 42.2 mm -60.18 -46.69 94.26 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.169 -0.469 . . . . 62.130000000000003 111.147 179.963 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 28' ' ' ILE . . . . . 0.67 HG23 ' OG1' ' A' ' 35' ' ' THR . 70.7 mt -60.46 -40.61 84.77 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.19 -0.459 . . . . 73.329999999999998 111.182 179.844 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 3.0 m -63.5 -32.19 73.57 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.155 -0.475 . . . . 64.209999999999994 110.843 -179.943 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 30' ' ' ILE . . . . . 0.828 HD13 HD23 ' A' ' 17' ' ' LEU . 13.2 mt -70.29 -60.98 1.88 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.346 0 CA-C-N 116.159 -0.473 . . . . 73.340000000000003 111.155 179.964 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 7.0 mt -60.84 -42.22 97.37 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.172 -0.467 . . . . 72.299999999999997 110.967 179.831 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . 51.52 34.34 34.77 Favored Glycine 0 N--CA 1.451 -0.345 0 C-N-CA 120.778 -0.725 . . . . 71.200000000000003 112.488 179.904 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -127.83 60.63 0.66 Allowed Glycine 0 N--CA 1.452 -0.292 0 C-N-CA 120.728 -0.749 . . . . 75.219999999999999 112.484 -179.902 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 34' ' ' VAL . . . . . . . . . . . . . 12.4 t 49.41 55.98 0.35 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-O 120.876 0.37 . . . . 70.209999999999994 111.116 -179.953 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 35' ' ' THR . . . . . 0.67 ' OG1' HG23 ' A' ' 28' ' ' ILE . 0.1 OUTLIER -86.92 7.36 27.7 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.179 -0.464 . . . . 71.450000000000003 111.183 179.978 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 36' ' ' VAL . . . . . 0.417 HG23 ' O ' ' A' ' 36' ' ' VAL . 4.7 m -55.1 100.45 0.05 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.205 -0.452 . . . . 74.219999999999999 111.121 179.898 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 139.59 -42.75 1.2 Allowed Glycine 0 N--CA 1.451 -0.316 0 C-N-CA 120.774 -0.727 . . . . 54.240000000000002 112.506 179.989 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 38' ' ' LEU . . . . . 0.66 ' HG ' HD11 ' A' ' 6' ' ' ILE . 4.5 mm? -66.24 -17.49 64.77 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-O 120.784 0.326 . . . . 72.340000000000003 110.893 -179.923 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 39' ' ' SER . . . . . 0.419 ' O ' HG21 ' A' ' 24' ' ' VAL . 3.0 p -69.96 -38.0 75.98 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.177 -0.465 . . . . 44.049999999999997 110.825 -179.915 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . -67.5 -19.1 70.52 Favored Glycine 0 N--CA 1.45 -0.372 0 C-N-CA 120.773 -0.727 . . . . 44.200000000000003 112.509 -179.95 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 41' ' ' VAL . . . . . . . . . . . . . 6.3 p -105.06 -24.44 4.03 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-O 120.864 0.364 . . . . 73.120000000000005 111.12 -179.975 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 42' ' ' PHE . . . . . . . . . . . . . 3.3 t80 -52.42 -51.09 60.98 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.138 -0.483 . . . . 73.219999999999999 110.915 -179.987 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -54.08 -43.12 70.05 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.191 -0.459 . . . . 71.140000000000001 111.115 -179.952 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -60.36 -43.04 96.9 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.232 -0.44 . . . . 75.340000000000003 111.127 179.89 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 45' ' ' VAL . . . . . 0.573 HG11 HD13 ' A' ' 1' ' ' LEU . 75.7 t -70.9 -40.67 76.74 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.243 -0.435 . . . . 60.119999999999997 111.097 179.968 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 34.2 tttp -54.06 -53.02 58.89 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.188 -0.46 . . . . 61.140000000000001 110.921 179.912 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -60.88 -30.11 69.96 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.188 -0.46 . . . . 54.030000000000001 111.106 179.847 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 48' ' ' ALA . . . . . 0.463 ' HB3' ' O ' ' A' ' 45' ' ' VAL . . . -58.1 -28.33 64.52 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.213 -0.449 . . . . 54.049999999999997 111.117 179.928 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 49' ' ' ILE . . . . . . . . . . . . . 62.8 mt -56.4 -55.88 16.66 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.363 0 CA-C-N 116.264 -0.425 . . . . 62.439999999999998 111.105 179.988 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -65.25 -24.27 67.28 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.122 -0.49 . . . . 63.420000000000002 111.089 179.793 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 99.5 mttt -76.88 -35.58 57.32 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.227 -0.442 . . . . 73.310000000000002 110.919 179.973 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 52' ' ' GLN . . . . . . . . . . . . . 37.5 mt-30 -130.65 -71.39 0.59 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.237 -0.438 . . . . 71.150000000000006 110.911 -179.968 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . 170.76 155.92 10.94 Favored Glycine 0 N--CA 1.451 -0.342 0 C-N-CA 120.7 -0.762 . . . . 63.399999999999999 112.467 -179.99 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 54' ' ' ILE . . . . . . . . . . . . . 53.4 mt -53.93 -41.95 51.52 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-O 120.911 0.386 . . . . 71.540000000000006 111.111 -179.977 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 8.9 ptpt -52.75 -45.41 67.03 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.164 -0.471 . . . . 63.340000000000003 110.915 179.845 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 18.8 mttm -66.19 -34.07 77.21 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.168 -0.469 . . . . 74.239999999999995 110.904 179.881 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -55.92 -37.43 68.91 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.24 -0.436 . . . . 51.229999999999997 111.077 179.841 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 58' ' ' ILE . . . . . 0.592 ' O ' HG23 ' A' ' 2' ' ' VAL . 67.4 mt -58.43 -50.62 78.09 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.254 -0.43 . . . . 74.540000000000006 111.166 179.958 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 59' ' ' GLN . . . . . . . . . . . . . 57.7 mt-30 -56.61 -30.78 63.63 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.207 -0.451 . . . . 75.040000000000006 110.912 179.926 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 C--N 1.329 -0.318 0 CA-C-N 116.208 -0.451 . . . . 75.549999999999997 110.916 179.997 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 1' ' ' LEU . . . . . 0.454 HD23 HG13 ' A' ' 6' ' ' ILE . 6.4 mt . . . . . 0 C--O 1.231 0.081 0 CA-C-O 120.891 0.377 . . . . 64.200000000000003 110.932 . . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 2' ' ' VAL . . . . . 0.439 HG22 ' HA ' ' A' ' 8' ' ' GLN . 82.4 t -63.31 -49.3 83.51 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.266 0 CA-C-N 116.187 -0.46 . . . . 64.319999999999993 111.135 179.825 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . -64.23 -29.78 70.86 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.165 -0.471 . . . . 55.130000000000003 111.113 179.915 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 4' ' ' TYR . . . . . . . . . . . . . 0.5 OUTLIER -73.86 -48.21 32.78 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.197 -0.456 . . . . 73.200000000000003 110.929 -179.893 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . 160.02 -27.65 0.34 Allowed Glycine 0 N--CA 1.452 -0.299 0 C-N-CA 120.694 -0.765 . . . . 74.129999999999995 112.459 179.974 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 6' ' ' ILE . . . . . 0.465 HD11 HD13 ' A' ' 38' ' ' LEU . 50.4 mm -57.24 132.51 21.64 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-O 120.874 0.369 . . . . 63.32 111.127 -179.955 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -51.61 139.71 20.09 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.181 -0.463 . . . . 65.129999999999995 111.09 179.825 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 8' ' ' GLN . . . . . 0.439 ' HA ' HG22 ' A' ' 2' ' ' VAL . 6.1 pt20 -67.87 -42.63 81.0 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.248 -0.433 . . . . 72.030000000000001 110.91 -179.955 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -56.38 -51.06 58.61 Favored Glycine 0 N--CA 1.452 -0.27 0 C-N-CA 120.735 -0.745 . . . . 51.5 112.485 -179.984 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 10' ' ' THR . . . . . 0.699 ' O ' HG23 ' A' ' 14' ' ' VAL . 93.5 m -74.6 -31.68 62.11 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.804 0.335 . . . . 55.409999999999997 111.141 -179.841 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 11' ' ' ALA . . . . . 0.757 ' O ' HG23 ' A' ' 15' ' ' VAL . . . -51.76 -47.2 64.22 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.203 -0.453 . . . . 71.310000000000002 111.131 179.841 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 34.0 mt-10 -54.37 -49.98 68.57 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.21 -0.45 . . . . 74.530000000000001 110.84 -179.88 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 8.6 ttmm -64.9 -43.61 92.27 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.126 -0.488 . . . . 54.140000000000001 110.897 179.971 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 14' ' ' VAL . . . . . 0.699 HG23 ' O ' ' A' ' 10' ' ' THR . 91.7 t -56.29 -35.06 41.64 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.226 -0.443 . . . . 73.430000000000007 111.117 179.874 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 15' ' ' VAL . . . . . 0.757 HG23 ' O ' ' A' ' 11' ' ' ALA . 95.4 t -55.57 -31.04 27.6 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.171 -0.468 . . . . 74.310000000000002 111.132 179.944 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 2.0 t -59.47 -42.09 91.25 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.167 -0.469 . . . . 60.219999999999999 110.885 -179.877 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 3.8 mm? -71.29 -39.74 71.32 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.112 -0.494 . . . . 55.229999999999997 110.91 -179.993 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 18' ' ' ILE . . . . . . . . . . . . . 35.5 mt -65.07 -48.38 84.1 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.201 -0.454 . . . . 63.0 111.121 179.87 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 57.9 t30 -58.68 -27.91 65.26 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.163 -0.472 . . . . 42.009999999999998 110.877 179.929 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -64.98 -20.12 66.33 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.21 -0.45 . . . . 50.509999999999998 111.062 179.881 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . 96.01 13.49 49.34 Favored Glycine 0 N--CA 1.45 -0.373 0 C-N-CA 120.743 -0.742 . . . . 25.100000000000001 112.498 -179.925 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 22' ' ' LEU . . . . . 0.693 HD12 ' CB ' ' A' ' 26' ' ' SER . 4.0 mm? -74.9 137.5 41.77 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-O 120.843 0.354 . . . . 41.520000000000003 110.938 -179.926 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 53.6 p -76.85 167.92 20.99 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.211 -0.45 . . . . 70.319999999999993 111.141 179.966 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 24' ' ' VAL . . . . . 0.554 HG21 ' HB2' ' A' ' 39' ' ' SER . 10.7 p -51.35 -30.16 10.07 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.239 -0.437 . . . . 63.130000000000003 111.135 179.921 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . -53.82 -52.05 45.14 Favored Glycine 0 N--CA 1.451 -0.337 0 C-N-CA 120.767 -0.73 . . . . 72.299999999999997 112.485 179.967 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 26' ' ' SER . . . . . 0.693 ' CB ' HD12 ' A' ' 22' ' ' LEU . 2.1 t -65.58 -26.93 68.08 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.898 0.38 . . . . 73.519999999999996 110.87 -179.732 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 27' ' ' ILE . . . . . 0.575 HG22 HD23 ' A' ' 31' ' ' LEU . 26.2 mm -67.39 -50.51 61.59 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.135 -0.484 . . . . 74.25 111.147 179.93 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 28' ' ' ILE . . . . . 0.787 HG23 HG23 ' A' ' 35' ' ' THR . 50.4 mm -53.59 -37.6 31.51 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.174 -0.466 . . . . 71.409999999999997 111.126 179.87 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 71.1 m -63.41 -36.54 84.07 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.19 -0.459 . . . . 74.120000000000005 110.917 -179.947 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 30' ' ' ILE . . . . . . . . . . . . . 43.7 mm -77.61 -36.6 23.26 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.1 -0.5 . . . . 65.230000000000004 111.102 179.97 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 31' ' ' LEU . . . . . 0.575 HD23 HG22 ' A' ' 27' ' ' ILE . 3.8 mm? -51.97 -42.29 62.8 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.165 -0.471 . . . . 62.119999999999997 110.902 179.898 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . 51.67 58.04 11.05 Favored Glycine 0 N--CA 1.451 -0.333 0 C-N-CA 120.724 -0.75 . . . . 74.120000000000005 112.516 179.906 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -179.39 -159.15 22.94 Favored Glycine 0 N--CA 1.451 -0.352 0 C-N-CA 120.747 -0.739 . . . . 50.350000000000001 112.499 -179.88 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 34' ' ' VAL . . . . . . . . . . . . . 12.5 t -78.43 56.25 0.09 OUTLIER 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-O 120.901 0.381 . . . . 55.420000000000002 111.134 179.953 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 35' ' ' THR . . . . . 0.787 HG23 HG23 ' A' ' 28' ' ' ILE . 5.0 t -89.0 10.3 22.03 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.187 -0.46 . . . . 74.129999999999995 111.133 179.999 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 36' ' ' VAL . . . . . . . . . . . . . 17.3 t -75.91 60.53 0.11 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.243 -0.435 . . . . 74.120000000000005 111.12 179.916 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 165.83 -36.74 0.26 Allowed Glycine 0 N--CA 1.452 -0.296 0 C-N-CA 120.733 -0.746 . . . . 63.219999999999999 112.526 179.97 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 38' ' ' LEU . . . . . 0.614 ' O ' HG22 ' A' ' 41' ' ' VAL . 0.4 OUTLIER -66.67 -24.83 66.33 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.812 0.339 . . . . 53.130000000000003 110.905 -179.914 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 39' ' ' SER . . . . . 0.554 ' HB2' HG21 ' A' ' 24' ' ' VAL . 0.9 OUTLIER -60.21 -20.01 56.83 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.187 -0.46 . . . . 73.0 110.866 -179.944 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . -51.77 -27.81 21.26 Favored Glycine 0 N--CA 1.45 -0.376 0 C-N-CA 120.761 -0.733 . . . . 64.140000000000001 112.519 -179.969 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 41' ' ' VAL . . . . . 0.711 ' O ' HG23 ' A' ' 45' ' ' VAL . 18.9 m -94.16 -24.1 5.08 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-O 120.885 0.374 . . . . 73.340000000000003 111.161 -179.982 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 42' ' ' PHE . . . . . . . . . . . . . 2.4 t80 -56.27 -51.85 66.64 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.15 -0.477 . . . . 73.299999999999997 110.891 -179.995 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 17.2 m -54.0 -43.33 69.95 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.138 -0.483 . . . . 75.439999999999998 111.127 -179.929 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -66.62 -34.49 77.99 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.246 -0.434 . . . . 44.520000000000003 111.054 179.904 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 45' ' ' VAL . . . . . 0.711 HG23 ' O ' ' A' ' 41' ' ' VAL . 95.7 t -70.77 -52.18 30.42 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.241 -0.436 . . . . 72.400000000000006 111.106 -179.988 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 5.7 ptmm? -58.06 -36.08 72.29 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.186 -0.461 . . . . 71.400000000000006 110.882 179.953 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -63.45 -40.08 96.17 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.24 -0.436 . . . . 65.120000000000005 111.059 179.84 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -60.53 -27.18 67.44 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.202 -0.454 . . . . 30.109999999999999 111.087 179.973 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 49' ' ' ILE . . . . . . . . . . . . . 62.4 mt -56.44 -55.98 16.19 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.232 -0.44 . . . . 64.230000000000004 111.102 -179.993 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -61.93 -23.6 66.46 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.161 -0.472 . . . . 70.25 111.121 179.827 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 10.6 mtmt -76.98 -60.97 2.14 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.189 -0.46 . . . . 74.540000000000006 110.919 179.954 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 52' ' ' GLN . . . . . . . . . . . . . 2.6 mt-30 -104.89 -67.63 0.9 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.209 -0.451 . . . . 74.129999999999995 110.934 179.925 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . 169.71 157.35 11.97 Favored Glycine 0 N--CA 1.451 -0.341 0 C-N-CA 120.726 -0.749 . . . . 63.310000000000002 112.482 -179.986 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 54' ' ' ILE . . . . . . . . . . . . . 34.7 pt -51.63 -30.08 10.93 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-O 120.973 0.416 . . . . 74.400000000000006 111.185 179.986 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 4.4 ptpt -56.33 -42.78 78.24 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.133 -0.485 . . . . 75.150000000000006 110.917 179.845 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -66.2 -31.54 72.43 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.191 -0.459 . . . . 72.430000000000007 110.927 179.832 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -58.0 -37.15 73.75 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.268 -0.424 . . . . 55.310000000000002 111.121 179.796 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 58' ' ' ILE . . . . . 0.401 ' O ' HG23 ' A' ' 2' ' ' VAL . 62.4 mt -56.73 -60.04 2.39 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.151 -0.477 . . . . 72.530000000000001 111.162 179.944 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 59' ' ' GLN . . . . . . . . . . . . . 9.8 pt20 -60.23 -27.58 67.32 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.16 -0.473 . . . . 71.430000000000007 110.931 179.954 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 60' ' ' LEU . . . . . 0.549 HD13 ' HA ' ' A' ' 45' ' ' VAL . 1.0 OUTLIER . . . . . 0 C--N 1.328 -0.354 0 CA-C-N 116.189 -0.46 . . . . 75.010000000000005 110.886 -179.97 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 1' ' ' LEU . . . . . 0.549 ' HG ' HG11 ' A' ' 45' ' ' VAL . 43.0 mt . . . . . 0 C--O 1.231 0.117 0 CA-C-O 120.871 0.367 . . . . 74.239999999999995 110.886 . . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 2' ' ' VAL . . . . . 0.496 HG23 ' O ' ' A' ' 58' ' ' ILE . 95.3 t -62.98 -49.89 81.76 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.206 -0.452 . . . . 71.120000000000005 111.096 179.86 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . -64.19 -31.83 73.18 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.212 -0.449 . . . . 74.030000000000001 111.076 179.899 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 4' ' ' TYR . . . . . 0.634 ' CE2' HD22 ' A' ' 60' ' ' LEU . 1.6 m-85 -74.25 -51.1 16.35 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.255 -0.429 . . . . 72.409999999999997 110.943 -179.872 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . 161.37 56.1 0.02 OUTLIER Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.708 -0.758 . . . . 64.239999999999995 112.505 179.991 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 6' ' ' ILE . . . . . 0.436 HG13 HD22 ' A' ' 1' ' ' LEU . 40.4 mm -135.61 142.05 40.47 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-O 120.811 0.339 . . . . 71.040000000000006 111.126 -179.945 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 7' ' ' ALA . . . . . 0.815 ' HB3' ' HB ' ' A' ' 10' ' ' THR . . . -51.75 150.22 4.16 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.174 -0.467 . . . . 63.329999999999998 111.082 179.806 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 32.8 tt0 -68.02 -57.04 6.8 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.223 -0.444 . . . . 72.299999999999997 110.94 -179.935 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -68.56 -35.97 82.36 Favored Glycine 0 N--CA 1.451 -0.301 0 C-N-CA 120.726 -0.75 . . . . 72.340000000000003 112.495 179.99 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 10' ' ' THR . . . . . 0.815 ' HB ' ' HB3' ' A' ' 7' ' ' ALA . 29.4 m -74.15 -25.6 59.84 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 120.771 0.319 . . . . 70.340000000000003 111.148 -179.85 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 11' ' ' ALA . . . . . 0.612 ' O ' HG23 ' A' ' 15' ' ' VAL . . . -50.73 -37.55 42.37 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.176 -0.466 . . . . 74.120000000000005 111.133 179.838 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 3.2 tt0 -71.62 -35.24 70.4 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.189 -0.46 . . . . 63.140000000000001 110.914 -179.943 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 35.9 mttm -69.27 -54.32 15.29 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.141 -0.481 . . . . 74.420000000000002 110.897 179.974 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 14' ' ' VAL . . . . . 0.42 HG13 ' N ' ' A' ' 15' ' ' VAL . 4.0 p -52.51 -44.01 43.65 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.24 -0.436 . . . . 72.209999999999994 111.127 179.866 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 15' ' ' VAL . . . . . 0.612 HG23 ' O ' ' A' ' 11' ' ' ALA . 59.1 t -59.57 -46.02 93.47 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.139 -0.482 . . . . 64.200000000000003 111.129 179.923 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 15.0 m -54.49 -32.83 58.69 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.185 -0.462 . . . . 75.030000000000001 110.864 -179.805 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 17' ' ' LEU . . . . . 0.634 HD22 HD22 ' A' ' 22' ' ' LEU . 1.3 mt -71.58 -27.69 63.31 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.133 -0.485 . . . . 63.399999999999999 110.918 179.997 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 18' ' ' ILE . . . . . . . . . . . . . 16.0 mt -65.23 -49.36 79.43 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.165 -0.471 . . . . 75.310000000000002 111.116 179.858 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 22.5 t30 -58.66 -22.02 55.78 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.163 -0.471 . . . . 71.239999999999995 110.916 179.922 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 20' ' ' ALA . . . . . 0.401 ' HB3' ' O ' ' A' ' 17' ' ' LEU . . . -64.86 -20.0 66.18 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.199 -0.455 . . . . 74.430000000000007 111.066 179.892 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . 90.37 12.75 60.97 Favored Glycine 0 N--CA 1.451 -0.307 0 C-N-CA 120.722 -0.751 . . . . 62.509999999999998 112.508 -179.941 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 22' ' ' LEU . . . . . 0.634 HD22 HD22 ' A' ' 17' ' ' LEU . 6.7 mp -74.94 154.42 38.15 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-O 120.925 0.393 . . . . 74.439999999999998 110.923 -179.943 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 1.5 p -77.71 142.33 38.82 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.188 -0.46 . . . . 62.530000000000001 111.1 179.973 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 24' ' ' VAL . . . . . 0.468 HG22 ' HD2' ' A' ' 42' ' ' PHE . 42.7 t -51.41 -30.23 10.37 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.192 -0.458 . . . . 64.430000000000007 111.128 179.875 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . -57.04 -39.11 89.12 Favored Glycine 0 N--CA 1.452 -0.291 0 C-N-CA 120.746 -0.74 . . . . 54.43 112.452 179.992 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 2.6 t -64.89 -26.88 68.51 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.89 0.376 . . . . 65.340000000000003 110.895 -179.76 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 35.3 mm -60.26 -41.82 88.34 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.095 -0.502 . . . . 73.310000000000002 111.101 179.996 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 28' ' ' ILE . . . . . . . . . . . . . 63.8 mt -57.08 -42.72 79.99 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.187 -0.46 . . . . 65.340000000000003 111.14 179.861 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 70.5 m -56.26 -30.85 62.97 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.145 -0.479 . . . . 72.430000000000007 110.866 -179.954 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 30' ' ' ILE . . . . . . . . . . . . . 46.0 mm -69.91 -60.12 2.8 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.152 -0.476 . . . . 73.120000000000005 111.147 179.929 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 3.7 mm? -56.98 -41.68 78.81 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.163 -0.471 . . . . 73.420000000000002 110.915 179.905 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . 53.91 38.22 59.57 Favored Glycine 0 N--CA 1.451 -0.341 0 C-N-CA 120.755 -0.736 . . . . 41.009999999999998 112.496 179.891 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -148.72 69.26 0.34 Allowed Glycine 0 N--CA 1.451 -0.334 0 C-N-CA 120.747 -0.739 . . . . 75.200000000000003 112.498 -179.933 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 34' ' ' VAL . . . . . . . . . . . . . 7.7 t 49.55 50.17 0.41 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-O 120.893 0.378 . . . . 74.049999999999997 111.126 -179.975 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 35' ' ' THR . . . . . 0.513 HG22 ' HB2' ' A' ' 38' ' ' LEU . 0.1 OUTLIER -86.94 6.82 30.19 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.156 -0.475 . . . . 73.25 111.115 -179.963 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 36' ' ' VAL . . . . . . . . . . . . . 55.0 t -59.94 -22.04 23.22 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.248 -0.433 . . . . 74.340000000000003 111.139 179.944 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . -87.92 -31.67 14.47 Favored Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 120.73 -0.748 . . . . 61.140000000000001 112.5 179.97 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 38' ' ' LEU . . . . . 0.513 ' HB2' HG22 ' A' ' 35' ' ' THR . 4.4 mm? -66.05 -24.92 66.82 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-O 120.812 0.339 . . . . 74.049999999999997 110.914 -179.897 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 1.4 m -52.1 -48.69 64.63 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.172 -0.467 . . . . 74.040000000000006 110.851 -179.959 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . -59.2 -19.31 45.57 Favored Glycine 0 N--CA 1.451 -0.333 0 C-N-CA 120.741 -0.742 . . . . 72.099999999999994 112.485 -179.996 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 41' ' ' VAL . . . . . . . . . . . . . 89.5 t -94.51 -39.47 10.33 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-O 120.837 0.351 . . . . 73.439999999999998 111.15 179.998 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 42' ' ' PHE . . . . . 0.468 ' HD2' HG22 ' A' ' 24' ' ' VAL . 3.2 t80 -51.94 -51.36 57.63 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.144 -0.48 . . . . 71.439999999999998 110.903 -179.959 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 4.6 t -54.02 -40.4 66.99 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.104 -0.498 . . . . 73.109999999999999 111.163 -179.939 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -64.22 -33.63 76.24 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.25 -0.432 . . . . 62.149999999999999 111.06 179.878 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 45' ' ' VAL . . . . . 0.549 HG11 ' HG ' ' A' ' 1' ' ' LEU . 96.2 t -70.87 -49.15 52.37 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.247 -0.433 . . . . 34.420000000000002 111.123 179.976 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 46' ' ' LYS . . . . . 0.671 ' HD2' HD12 ' A' ' 49' ' ' ILE . 17.9 tptt -56.81 -46.7 81.45 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.179 -0.464 . . . . 70.310000000000002 110.899 179.925 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -60.09 -37.26 79.43 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.194 -0.457 . . . . 63.229999999999997 111.091 179.824 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -60.25 -25.27 65.55 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.251 -0.431 . . . . 74.430000000000007 111.127 179.928 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 49' ' ' ILE . . . . . 0.671 HD12 ' HD2' ' A' ' 46' ' ' LYS . 62.3 mt -56.36 -55.98 15.99 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.184 -0.462 . . . . 74.140000000000001 111.09 179.992 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -61.71 -23.59 66.22 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.181 -0.463 . . . . 70.349999999999994 111.133 179.83 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 1.8 mptp? -77.0 -55.01 5.83 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.165 -0.471 . . . . 74.329999999999998 110.892 179.984 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 52' ' ' GLN . . . . . . . . . . . . . 12.8 mp0 -111.17 -70.33 0.82 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.251 -0.431 . . . . 65.209999999999994 110.953 179.912 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . 171.19 155.94 11.17 Favored Glycine 0 N--CA 1.452 -0.287 0 C-N-CA 120.67 -0.776 . . . . 73.200000000000003 112.432 -179.998 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 54' ' ' ILE . . . . . 0.404 ' O ' ' HB3' ' A' ' 57' ' ' ALA . 22.4 pt -51.68 -32.6 14.24 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-O 120.874 0.368 . . . . 62.439999999999998 111.125 -179.981 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 15.7 pttm -53.98 -45.45 71.42 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.167 -0.47 . . . . 71.340000000000003 110.938 179.805 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 2.4 tttm -66.17 -31.91 73.03 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.239 -0.437 . . . . 64.219999999999999 110.902 179.853 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 57' ' ' ALA . . . . . 0.404 ' HB3' ' O ' ' A' ' 54' ' ' ILE . . . -55.46 -40.13 71.22 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.231 -0.441 . . . . 74.129999999999995 111.12 179.818 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 58' ' ' ILE . . . . . 0.496 ' O ' HG23 ' A' ' 2' ' ' VAL . 70.5 mt -58.69 -58.85 4.91 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.188 -0.46 . . . . 75.439999999999998 111.156 179.994 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 59' ' ' GLN . . . . . . . . . . . . . 64.8 mt-30 -59.97 -28.6 67.8 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.158 -0.473 . . . . 70.319999999999993 110.893 179.946 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 60' ' ' LEU . . . . . 0.634 HD22 ' CE2' ' A' ' 4' ' ' TYR . 1.8 mt . . . . . 0 C--N 1.328 -0.329 0 CA-C-N 116.181 -0.463 . . . . 74.140000000000001 110.903 -179.948 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 1' ' ' LEU . . . . . 0.471 HD23 ' HA ' ' A' ' 11' ' ' ALA . 3.7 mp . . . . . 0 C--O 1.23 0.074 0 CA-C-O 120.835 0.35 . . . . 75.310000000000002 110.883 . . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 2' ' ' VAL . . . . . 0.54 HG23 ' O ' ' A' ' 58' ' ' ILE . 51.0 t -62.04 -50.26 80.8 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.153 -0.476 . . . . 73.200000000000003 111.093 179.911 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . -64.28 -29.77 70.84 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.218 -0.447 . . . . 73.540000000000006 111.074 179.873 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 4' ' ' TYR . . . . . 0.407 ' CE1' HG11 ' A' ' 41' ' ' VAL . 64.0 t80 -74.21 -48.2 30.51 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.223 -0.444 . . . . 72.329999999999998 110.888 -179.827 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . 159.49 -26.58 0.35 Allowed Glycine 0 N--CA 1.451 -0.328 0 C-N-CA 120.724 -0.75 . . . . 72.450000000000003 112.519 179.989 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 51.7 mm -58.74 135.09 23.49 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-O 120.821 0.343 . . . . 54.509999999999998 111.135 -179.975 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -52.2 143.03 15.29 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.17 -0.468 . . . . 61.030000000000001 111.096 179.822 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 8' ' ' GLN . . . . . 0.463 ' HA ' HG22 ' A' ' 2' ' ' VAL . 8.1 pt20 -67.24 -41.41 85.71 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.197 -0.456 . . . . 72.140000000000001 110.91 -179.955 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -63.22 -46.0 94.03 Favored Glycine 0 N--CA 1.451 -0.342 0 C-N-CA 120.762 -0.732 . . . . 70.239999999999995 112.497 -179.974 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 10' ' ' THR . . . . . 0.691 ' O ' HG23 ' A' ' 14' ' ' VAL . 6.3 m -75.89 -26.2 56.81 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.807 0.337 . . . . 65.019999999999996 111.14 -179.849 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 11' ' ' ALA . . . . . 0.686 ' O ' HG23 ' A' ' 15' ' ' VAL . . . -56.07 -57.47 12.0 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.207 -0.451 . . . . 71.329999999999998 111.108 179.875 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 28.9 mt-10 -52.04 -40.25 60.79 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.177 -0.465 . . . . 62.109999999999999 110.897 -179.945 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 40.1 mtmt -67.6 -46.83 71.43 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.179 -0.464 . . . . 72.230000000000004 110.912 179.959 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 14' ' ' VAL . . . . . 0.691 HG23 ' O ' ' A' ' 10' ' ' THR . 91.9 t -60.97 -40.33 85.13 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.199 -0.455 . . . . 73.310000000000002 111.085 179.924 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 15' ' ' VAL . . . . . 0.798 HG21 HD13 ' A' ' 58' ' ' ILE . 95.4 t -55.66 -36.52 42.81 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.191 -0.459 . . . . 72.219999999999999 111.141 179.93 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 10.9 t -60.48 -35.8 76.77 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.155 -0.475 . . . . 62.450000000000003 110.896 -179.851 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 2.1 mm? -71.36 -28.65 64.2 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.117 -0.492 . . . . 74.200000000000003 110.899 -179.995 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 18' ' ' ILE . . . . . . . . . . . . . 34.4 mt -65.02 -35.89 76.54 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.159 -0.473 . . . . 62.310000000000002 111.129 179.828 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 45.3 t30 -57.22 -24.27 53.48 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.177 -0.465 . . . . 71.230000000000004 110.884 179.952 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 20' ' ' ALA . . . . . 0.425 ' CB ' HD13 ' A' ' 22' ' ' LEU . . . -64.94 -20.06 66.27 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.207 -0.451 . . . . 72.319999999999993 111.082 179.889 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . 84.92 0.31 89.07 Favored Glycine 0 N--CA 1.451 -0.348 0 C-N-CA 120.738 -0.744 . . . . 62.240000000000002 112.547 -179.933 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 22' ' ' LEU . . . . . 0.431 HD23 ' CB ' ' A' ' 26' ' ' SER . 7.0 mp -67.65 155.49 39.05 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.876 0.37 . . . . 61.219999999999999 110.907 -179.917 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 24.8 p -76.79 165.28 24.93 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.211 -0.449 . . . . 71.349999999999994 111.104 179.977 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 24' ' ' VAL . . . . . 0.492 HG21 ' CB ' ' A' ' 39' ' ' SER . 10.7 p -51.47 -30.22 10.57 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.167 -0.47 . . . . 64.409999999999997 111.105 179.935 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . -52.99 -40.03 57.76 Favored Glycine 0 N--CA 1.451 -0.31 0 C-N-CA 120.76 -0.733 . . . . 40.240000000000002 112.464 179.96 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 26' ' ' SER . . . . . 0.431 ' CB ' HD23 ' A' ' 22' ' ' LEU . 5.9 p -70.76 -27.09 63.68 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.892 0.377 . . . . 50.200000000000003 110.869 -179.696 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 27' ' ' ILE . . . . . 0.441 ' O ' HD23 ' A' ' 31' ' ' LEU . 31.0 mm -65.53 -55.01 21.91 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.106 -0.497 . . . . 70.019999999999996 111.12 179.963 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 28' ' ' ILE . . . . . 0.579 HG23 ' OG1' ' A' ' 35' ' ' THR . 56.1 mt -60.47 -33.08 52.98 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.161 -0.472 . . . . 75.200000000000003 111.101 179.867 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 1.7 t -55.46 -39.43 70.35 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.173 -0.467 . . . . 62.240000000000002 110.867 -179.875 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 30' ' ' ILE . . . . . . . . . . . . . 54.7 mt -77.0 -32.37 19.49 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.118 -0.492 . . . . 75.549999999999997 111.156 179.91 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 31' ' ' LEU . . . . . 0.441 HD23 ' O ' ' A' ' 27' ' ' ILE . 4.0 mm? -60.6 -40.33 91.44 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.177 -0.465 . . . . 72.510000000000005 110.929 179.894 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . 62.37 57.96 14.48 Favored Glycine 0 N--CA 1.452 -0.27 0 C-N-CA 120.733 -0.746 . . . . 64.040000000000006 112.457 179.895 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -179.78 178.99 48.84 Favored Glycine 0 N--CA 1.451 -0.349 0 C-N-CA 120.76 -0.734 . . . . 60.119999999999997 112.522 -179.95 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 34' ' ' VAL . . . . . . . . . . . . . 16.0 m -77.24 60.41 0.13 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-O 120.871 0.367 . . . . 64.340000000000003 111.167 -179.932 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 35' ' ' THR . . . . . 0.579 ' OG1' HG23 ' A' ' 28' ' ' ILE . 42.8 p -86.81 6.63 30.69 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.178 -0.465 . . . . 74.150000000000006 111.105 -179.89 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 36' ' ' VAL . . . . . 0.421 ' O ' HG23 ' A' ' 36' ' ' VAL . 4.8 m -56.05 99.94 0.05 OUTLIER 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 116.252 -0.431 . . . . 73.439999999999998 111.121 179.913 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 171.05 -52.92 0.19 Allowed Glycine 0 N--CA 1.451 -0.344 0 C-N-CA 120.753 -0.736 . . . . 71.230000000000004 112.497 -179.996 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 38' ' ' LEU . . . . . 0.453 ' O ' HG22 ' A' ' 41' ' ' VAL . 2.0 pt? -63.32 -17.98 63.13 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 120.812 0.339 . . . . 41.229999999999997 110.918 -179.94 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 39' ' ' SER . . . . . 0.492 ' CB ' HG21 ' A' ' 24' ' ' VAL . 2.9 m -55.84 -25.38 41.69 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.183 -0.462 . . . . 70.120000000000005 110.889 -179.941 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . -70.73 -25.89 74.96 Favored Glycine 0 N--CA 1.451 -0.345 0 C-N-CA 120.789 -0.719 . . . . 64.150000000000006 112.454 -179.967 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 41' ' ' VAL . . . . . 0.742 ' O ' HG23 ' A' ' 45' ' ' VAL . 35.3 m -105.15 -24.11 4.17 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-O 120.837 0.351 . . . . 75.519999999999996 111.095 -179.947 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 42' ' ' PHE . . . . . . . . . . . . . 4.9 t80 -60.99 -37.72 83.49 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.214 -0.448 . . . . 73.430000000000007 110.875 -179.995 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 2.3 m -61.74 -45.37 94.21 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.186 -0.461 . . . . 72.209999999999994 111.155 -179.912 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -66.35 -33.17 75.12 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.217 -0.447 . . . . 73.140000000000001 111.138 179.831 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 45' ' ' VAL . . . . . 0.742 HG23 ' O ' ' A' ' 41' ' ' VAL . 83.3 t -63.52 -36.9 78.05 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.169 -0.469 . . . . 74.430000000000007 111.138 179.964 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 21.3 tttp -52.13 -51.76 55.87 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.176 -0.465 . . . . 45.130000000000003 110.862 179.926 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -63.36 -30.48 71.61 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.238 -0.437 . . . . 74.040000000000006 111.085 179.852 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 48' ' ' ALA . . . . . 0.455 ' HB3' ' O ' ' A' ' 45' ' ' VAL . . . -57.43 -40.41 78.32 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.217 -0.447 . . . . 53.539999999999999 111.089 179.94 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 49' ' ' ILE . . . . . . . . . . . . . 78.1 mt -56.37 -56.0 15.95 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.166 -0.47 . . . . 73.430000000000007 111.122 179.963 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -65.55 -24.39 67.09 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.191 -0.459 . . . . 61.549999999999997 111.098 179.832 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 9.7 tppt? -76.95 -33.59 57.68 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.228 -0.442 . . . . 64.340000000000003 110.903 179.974 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 52' ' ' GLN . . . . . . . . . . . . . 11.4 mm-40 -137.45 -72.85 0.42 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.181 -0.463 . . . . 73.450000000000003 110.919 179.927 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . 176.28 153.85 11.04 Favored Glycine 0 N--CA 1.452 -0.284 0 C-N-CA 120.746 -0.74 . . . . 64.019999999999996 112.502 -179.991 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 54' ' ' ILE . . . . . . . . . . . . . 16.7 pt -51.75 -35.2 17.33 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-O 120.912 0.386 . . . . 72.010000000000005 111.153 -179.949 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 18.8 ptmt -55.55 -45.0 77.3 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.187 -0.461 . . . . 74.239999999999995 110.892 179.829 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 3.6 mmmm -60.57 -36.73 79.21 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.26 -0.427 . . . . 74.109999999999999 110.87 179.905 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -56.3 -33.05 65.17 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.223 -0.444 . . . . 72.010000000000005 111.1 179.8 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 58' ' ' ILE . . . . . 0.798 HD13 HG21 ' A' ' 15' ' ' VAL . 40.7 mm -56.43 -57.32 9.42 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.221 -0.445 . . . . 62.539999999999999 111.146 179.998 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 59' ' ' GLN . . . . . . . . . . . . . 50.2 mt-30 -55.42 -29.83 59.32 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.192 -0.458 . . . . 61.140000000000001 110.89 179.936 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 60' ' ' LEU . . . . . 0.676 HD23 HG22 ' A' ' 45' ' ' VAL . 1.2 mp . . . . . 0 C--N 1.329 -0.313 0 CA-C-N 116.168 -0.469 . . . . 61.350000000000001 110.915 -179.948 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 1' ' ' LEU . . . . . . . . . . . . . 1.6 tp . . . . . 0 C--O 1.231 0.117 0 CA-C-O 120.81 0.338 . . . . 74.400000000000006 110.922 . . . . . . . . . 0 0 . 1 . 002 nuclear build full ' A' A ' 2' ' ' VAL . . . . . 0.543 HG21 ' NE2' ' A' ' 8' ' ' GLN . 23.4 t -63.29 -48.94 85.06 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.232 -0.44 . . . . 73.150000000000006 111.124 179.847 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . -64.21 -30.98 72.01 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.19 -0.459 . . . . 63.310000000000002 111.08 179.914 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 4' ' ' TYR . . . . . 0.505 ' CE1' HG11 ' A' ' 41' ' ' VAL . 0.6 OUTLIER -74.18 -50.82 17.61 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.227 -0.442 . . . . 75.420000000000002 110.953 -179.903 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 5' ' ' GLY . . . . . 0.553 ' O ' HD13 ' A' ' 6' ' ' ILE . . . 149.74 52.47 0.02 OUTLIER Glycine 0 N--CA 1.452 -0.288 0 C-N-CA 120.72 -0.752 . . . . 55.43 112.48 -179.982 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 6' ' ' ILE . . . . . 0.682 HD11 ' HG ' ' A' ' 38' ' ' LEU . 49.6 mm -139.25 142.94 32.33 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.343 0 CA-C-O 120.801 0.334 . . . . 70.230000000000004 111.149 -179.941 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -51.6 132.98 30.86 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.168 -0.469 . . . . 71.540000000000006 111.057 179.865 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 8' ' ' GLN . . . . . 0.543 ' NE2' HG21 ' A' ' 2' ' ' VAL . 4.9 tp-100 -67.96 -55.92 10.93 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.212 -0.449 . . . . 61.520000000000003 110.948 -179.951 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -52.73 -41.64 57.99 Favored Glycine 0 N--CA 1.451 -0.315 0 C-N-CA 120.695 -0.764 . . . . 73.319999999999993 112.53 179.989 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 10' ' ' THR . . . . . 0.697 ' O ' HG23 ' A' ' 14' ' ' VAL . 96.3 m -76.74 -34.58 58.08 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.785 0.326 . . . . 74.129999999999995 111.195 -179.928 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 11' ' ' ALA . . . . . 0.745 ' O ' HG23 ' A' ' 15' ' ' VAL . . . -54.68 -38.48 67.03 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.166 -0.47 . . . . 75.329999999999998 111.122 179.853 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 10.6 tt0 -55.0 -56.67 17.11 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.21 -0.45 . . . . 70.420000000000002 110.919 -179.926 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 21.8 mtpp -61.98 -37.48 84.95 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.157 -0.474 . . . . 72.310000000000002 110.867 179.954 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 14' ' ' VAL . . . . . 0.697 HG23 ' O ' ' A' ' 10' ' ' THR . 94.4 t -60.48 -34.96 60.06 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.233 -0.439 . . . . 73.129999999999995 111.129 179.888 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 15' ' ' VAL . . . . . 0.745 HG23 ' O ' ' A' ' 11' ' ' ALA . 93.2 t -55.51 -31.1 27.37 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.18 -0.463 . . . . 64.209999999999994 111.144 179.905 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 23.6 t -58.63 -42.81 89.11 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.149 -0.478 . . . . 73.299999999999997 110.902 -179.887 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 17' ' ' LEU . . . . . 0.52 HD12 HD22 ' A' ' 22' ' ' LEU . 4.1 mm? -71.25 -39.23 71.75 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.111 -0.495 . . . . 54.439999999999998 110.942 179.967 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 18' ' ' ILE . . . . . . . . . . . . . 39.8 mt -65.02 -49.17 80.94 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.187 -0.46 . . . . 70.140000000000001 111.108 179.825 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 19.3 t-20 -57.3 -26.89 61.59 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.23 -0.441 . . . . 65.409999999999997 110.909 179.935 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 20' ' ' ALA . . . . . 0.459 ' HB3' HD13 ' A' ' 22' ' ' LEU . . . -65.01 -20.04 66.3 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.152 -0.476 . . . . 64.319999999999993 111.05 179.936 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . 91.57 17.53 48.8 Favored Glycine 0 N--CA 1.452 -0.296 0 C-N-CA 120.731 -0.747 . . . . 72.430000000000007 112.488 -179.982 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 22' ' ' LEU . . . . . 0.52 HD22 HD12 ' A' ' 17' ' ' LEU . 6.6 mp -74.88 145.34 42.81 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.867 0.365 . . . . 74.010000000000005 110.912 -179.875 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 12.1 p -76.94 158.21 30.83 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.231 -0.441 . . . . 55.439999999999998 111.09 179.981 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 19.0 m -51.49 -30.22 10.65 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.179 -0.464 . . . . 54.520000000000003 111.131 179.906 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . -55.51 -52.1 50.21 Favored Glycine 0 N--CA 1.452 -0.293 0 C-N-CA 120.737 -0.744 . . . . 73.129999999999995 112.503 179.922 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 49.1 m -63.57 -26.97 68.94 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.857 0.361 . . . . 72.239999999999995 110.902 -179.79 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 30.0 mm -64.97 -42.32 94.44 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.145 -0.479 . . . . 74.439999999999998 111.158 179.923 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 28' ' ' ILE . . . . . 0.665 HD13 HG23 ' A' ' 35' ' ' THR . 35.6 mm -60.45 -36.95 72.85 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.139 -0.482 . . . . 65.5 111.116 179.859 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 12.3 t -63.46 -30.94 71.99 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.209 -0.45 . . . . 54.039999999999999 110.883 -179.908 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 30' ' ' ILE . . . . . . . . . . . . . 44.1 mm -70.02 -60.71 2.17 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.105 -0.498 . . . . 54.409999999999997 111.158 179.931 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 31' ' ' LEU . . . . . 0.721 HD22 ' CB ' ' A' ' 35' ' ' THR . 4.3 mp -52.01 -41.99 62.67 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.157 -0.474 . . . . 55.210000000000001 110.873 179.897 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . 75.83 17.96 79.82 Favored Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.768 -0.73 . . . . 64.109999999999999 112.488 179.93 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -137.0 -176.71 14.51 Favored Glycine 0 N--CA 1.451 -0.353 0 C-N-CA 120.761 -0.733 . . . . 63.229999999999997 112.527 -179.953 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 34' ' ' VAL . . . . . . . . . . . . . 14.8 t -77.92 58.4 0.11 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-O 120.913 0.387 . . . . 72.030000000000001 111.125 -179.949 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 35' ' ' THR . . . . . 0.721 ' CB ' HD22 ' A' ' 31' ' ' LEU . 8.7 t -87.62 8.53 24.85 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.181 -0.463 . . . . 64.430000000000007 111.166 -179.981 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 36' ' ' VAL . . . . . . . . . . . . . 41.3 t -55.2 -25.2 16.35 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.201 -0.454 . . . . 63.229999999999997 111.144 179.92 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . -64.72 -46.09 90.85 Favored Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.736 -0.745 . . . . 74.140000000000001 112.482 179.993 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 38' ' ' LEU . . . . . 0.682 ' HG ' HD11 ' A' ' 6' ' ' ILE . 4.3 mm? -66.28 -26.48 67.36 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.781 0.324 . . . . 75.319999999999993 110.906 -179.924 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 3.6 p -52.56 -29.45 25.58 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.205 -0.452 . . . . 71.409999999999997 110.86 -179.935 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . -52.19 -33.23 37.74 Favored Glycine 0 N--CA 1.45 -0.376 0 C-N-CA 120.76 -0.734 . . . . 44.109999999999999 112.494 -179.972 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 41' ' ' VAL . . . . . 0.667 ' O ' HG23 ' A' ' 45' ' ' VAL . 27.2 m -104.88 -25.1 3.79 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-O 120.834 0.349 . . . . 74.239999999999995 111.139 -179.999 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 42' ' ' PHE . . . . . . . . . . . . . 5.4 t80 -52.14 -40.22 61.07 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.167 -0.47 . . . . 74.019999999999996 110.867 -179.971 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 1.9 m -61.29 -47.36 86.34 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.131 -0.486 . . . . 73.510000000000005 111.119 -179.888 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -66.4 -33.41 75.65 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.19 -0.459 . . . . 70.030000000000001 111.129 179.87 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 45' ' ' VAL . . . . . 0.667 HG23 ' O ' ' A' ' 41' ' ' VAL . 90.2 t -63.71 -47.55 90.59 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.222 -0.445 . . . . 42.32 111.111 179.983 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 12.4 tmtt? -53.39 -52.99 57.55 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.173 -0.467 . . . . 71.409999999999997 110.903 179.917 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -62.99 -33.85 76.28 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.2 -0.455 . . . . 41.210000000000001 111.144 179.776 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -57.19 -33.27 67.32 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.215 -0.448 . . . . 73.230000000000004 111.137 179.902 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 49' ' ' ILE . . . . . 0.525 HG12 ' HB2' ' A' ' 57' ' ' ALA . 75.1 mt -56.36 -54.95 21.97 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.156 -0.474 . . . . 50.240000000000002 111.138 179.976 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -65.01 -23.68 67.28 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.168 -0.469 . . . . 65.010000000000005 111.091 179.821 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 6.7 mmpt? -76.97 -42.69 37.94 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.224 -0.444 . . . . 70.230000000000004 110.849 -179.985 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 52' ' ' GLN . . . . . . . . . . . . . 83.4 mm-40 -119.13 -71.01 0.76 Allowed 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.231 -0.44 . . . . 72.239999999999995 110.914 179.968 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . 170.69 155.44 10.43 Favored Glycine 0 N--CA 1.45 -0.369 0 C-N-CA 120.807 -0.711 . . . . 62.119999999999997 112.552 -179.98 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 54' ' ' ILE . . . . . 0.539 ' O ' ' HB3' ' A' ' 57' ' ' ALA . 17.6 pt -51.87 -34.76 17.23 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-O 120.907 0.384 . . . . 75.040000000000006 111.136 -179.935 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 25.6 ttmt -54.75 -56.26 21.23 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.176 -0.465 . . . . 70.310000000000002 110.908 179.815 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 3.4 mptp? -57.8 -27.34 63.03 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.199 -0.455 . . . . 65.349999999999994 110.898 179.88 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 57' ' ' ALA . . . . . 0.539 ' HB3' ' O ' ' A' ' 54' ' ' ILE . . . -60.28 -42.05 94.61 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.197 -0.456 . . . . 51.210000000000001 111.112 179.808 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 58' ' ' ILE . . . . . 0.517 ' O ' HG23 ' A' ' 2' ' ' VAL . 71.9 mt -57.33 -60.01 2.57 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.203 -0.453 . . . . 74.140000000000001 111.128 -179.989 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 59' ' ' GLN . . . . . . . . . . . . . 76.0 mm-40 -56.03 -26.91 50.92 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.164 -0.471 . . . . 71.0 110.894 179.952 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 60' ' ' LEU . . . . . 0.4 HD22 ' CE2' ' A' ' 4' ' ' TYR . 1.6 mt . . . . . 0 C--N 1.328 -0.355 0 CA-C-N 116.2 -0.455 . . . . 70.329999999999998 110.934 -179.98 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 1' ' ' LEU . . . . . . . . . . . . . 76.4 mt . . . . . 0 C--O 1.23 0.075 0 CA-C-O 120.868 0.366 . . . . 72.319999999999993 110.95 . . . . . . . . . 0 0 . 1 . 003 nuclear build full ' A' A ' 2' ' ' VAL . . . . . 0.454 HG23 ' O ' ' A' ' 58' ' ' ILE . 77.0 t -63.03 -50.17 80.58 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.179 -0.464 . . . . 33.43 111.088 179.848 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . -64.26 -32.52 74.14 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.193 -0.458 . . . . 71.409999999999997 111.085 179.907 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 4' ' ' TYR . . . . . 0.618 ' CZ ' HG11 ' A' ' 41' ' ' VAL . 67.3 t80 -74.52 -45.91 42.74 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.234 -0.439 . . . . 74.129999999999995 110.911 -179.84 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 5' ' ' GLY . . . . . 0.525 ' O ' HD13 ' A' ' 6' ' ' ILE . . . 152.35 57.38 0.01 OUTLIER Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.764 -0.731 . . . . 32.109999999999999 112.505 179.975 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 6' ' ' ILE . . . . . 0.525 HD13 ' O ' ' A' ' 5' ' ' GLY . 49.8 mm -136.49 140.36 43.51 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-O 120.891 0.377 . . . . 64.200000000000003 111.125 -179.985 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 7' ' ' ALA . . . . . 0.689 ' HB3' ' HB ' ' A' ' 10' ' ' THR . . . -51.6 134.48 29.64 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.159 -0.473 . . . . 63.399999999999999 111.085 179.804 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 45.0 mt-30 -67.74 -56.76 8.0 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.208 -0.451 . . . . 73.310000000000002 110.948 -179.968 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -59.46 -38.86 94.12 Favored Glycine 0 N--CA 1.451 -0.308 0 C-N-CA 120.697 -0.763 . . . . 72.439999999999998 112.51 -179.982 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 10' ' ' THR . . . . . 0.706 ' O ' HG23 ' A' ' 14' ' ' VAL . 95.8 m -74.6 -33.32 62.59 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.791 0.329 . . . . 74.439999999999998 111.188 -179.91 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 11' ' ' ALA . . . . . 0.696 ' O ' HG23 ' A' ' 15' ' ' VAL . . . -51.76 -43.37 62.92 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.179 -0.464 . . . . 43.219999999999999 111.103 179.848 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 47.6 mt-10 -52.01 -52.34 51.33 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.233 -0.44 . . . . 72.299999999999997 110.88 -179.916 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 5.5 ttmt -68.31 -42.0 80.04 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.162 -0.472 . . . . 74.510000000000005 110.945 179.961 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 14' ' ' VAL . . . . . 0.706 HG23 ' O ' ' A' ' 10' ' ' THR . 89.8 t -55.91 -47.84 79.32 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.26 0 CA-C-N 116.185 -0.461 . . . . 70.219999999999999 111.123 179.876 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 15' ' ' VAL . . . . . 0.828 HG21 HG12 ' A' ' 58' ' ' ILE . 93.7 t -55.53 -39.47 54.1 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.146 -0.479 . . . . 73.219999999999999 111.177 179.892 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 1.7 t -53.05 -39.15 63.05 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.128 -0.487 . . . . 54.219999999999999 110.862 -179.85 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 17' ' ' LEU . . . . . 0.512 HD21 HG13 ' A' ' 30' ' ' ILE . 4.5 mp -71.28 -31.01 66.96 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.153 -0.476 . . . . 74.319999999999993 110.955 179.95 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 18' ' ' ILE . . . . . . . . . . . . . 34.5 mt -65.11 -49.43 79.39 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.133 -0.485 . . . . 72.329999999999998 111.154 179.811 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 20.5 t-20 -58.26 -25.48 61.81 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.186 -0.461 . . . . 74.400000000000006 110.886 179.964 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -64.95 -20.12 66.31 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.165 -0.47 . . . . 73.019999999999996 111.102 179.84 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . 90.69 14.44 58.21 Favored Glycine 0 N--CA 1.451 -0.328 0 C-N-CA 120.754 -0.736 . . . . 75.109999999999999 112.434 -179.988 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 85.5 mt -74.91 160.43 30.62 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.889 0.376 . . . . 74.310000000000002 110.884 -179.941 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 68.6 p -84.24 155.6 22.4 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.178 -0.464 . . . . 73.540000000000006 111.139 179.924 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 24' ' ' VAL . . . . . 0.464 HG21 ' OG ' ' A' ' 39' ' ' SER . 14.0 p -51.43 -30.43 10.7 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.244 -0.435 . . . . 52.229999999999997 111.136 179.919 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . -57.08 -41.69 92.71 Favored Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.763 -0.732 . . . . 21.309999999999999 112.491 179.94 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 29.5 t -66.16 -26.95 67.66 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-O 120.85 0.357 . . . . 53.219999999999999 110.907 -179.757 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 35.4 mm -61.14 -54.97 27.96 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.088 -0.505 . . . . 63.200000000000003 111.166 179.929 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 28' ' ' ILE . . . . . 0.433 HG23 ' OG1' ' A' ' 35' ' ' THR . 30.5 mt -60.35 -33.4 53.83 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.16 -0.473 . . . . 70.230000000000004 111.135 179.851 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 1.8 t -59.92 -47.04 87.42 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.163 -0.471 . . . . 63.219999999999999 110.856 -179.917 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 30' ' ' ILE . . . . . 0.512 HG13 HD21 ' A' ' 17' ' ' LEU . 51.2 mm -76.74 -28.58 17.45 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 116.104 -0.498 . . . . 74.239999999999995 111.135 179.944 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 31' ' ' LEU . . . . . 0.744 ' HG ' HG21 ' A' ' 35' ' ' THR . 0.1 OUTLIER -66.43 -41.96 88.41 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.14 -0.482 . . . . 63.240000000000002 110.888 179.924 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . 72.12 57.91 5.45 Favored Glycine 0 N--CA 1.451 -0.345 0 C-N-CA 120.78 -0.724 . . . . 73.530000000000001 112.498 179.926 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -178.9 177.29 48.43 Favored Glycine 0 N--CA 1.452 -0.296 0 C-N-CA 120.746 -0.74 . . . . 65.129999999999995 112.464 -179.896 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 34' ' ' VAL . . . . . . . . . . . . . 16.1 m -77.35 59.98 0.12 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-O 120.961 0.41 . . . . 73.040000000000006 111.146 -179.98 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 35' ' ' THR . . . . . 0.744 HG21 ' HG ' ' A' ' 31' ' ' LEU . 0.8 OUTLIER -87.14 7.52 27.76 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.131 -0.486 . . . . 63.409999999999997 111.105 -179.954 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 36' ' ' VAL . . . . . . . . . . . . . 10.0 p -57.38 -23.18 18.8 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.248 -0.433 . . . . 63.240000000000002 111.088 179.93 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . -73.72 -48.54 16.83 Favored Glycine 0 N--CA 1.451 -0.302 0 C-N-CA 120.767 -0.73 . . . . 33.450000000000003 112.473 179.977 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 38' ' ' LEU . . . . . 0.455 ' O ' HG22 ' A' ' 41' ' ' VAL . 4.3 mm? -66.29 -25.68 66.97 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-O 120.799 0.333 . . . . 73.299999999999997 110.908 -179.897 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 39' ' ' SER . . . . . 0.464 ' OG ' HG21 ' A' ' 24' ' ' VAL . 1.2 t -55.54 -26.4 42.96 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.21 -0.45 . . . . 64.510000000000005 110.881 -179.943 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . -56.48 -30.57 58.96 Favored Glycine 0 N--CA 1.452 -0.3 0 C-N-CA 120.752 -0.737 . . . . 73.420000000000002 112.471 179.981 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 41' ' ' VAL . . . . . 0.711 ' O ' HG23 ' A' ' 45' ' ' VAL . 24.9 m -104.91 -24.12 4.16 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-O 120.864 0.364 . . . . 63.229999999999997 111.109 -179.911 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 42' ' ' PHE . . . . . . . . . . . . . 10.0 t80 -52.02 -54.39 30.49 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.193 -0.458 . . . . 74.209999999999994 110.88 -179.954 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 4.3 t -54.0 -41.13 67.62 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.119 -0.491 . . . . 74.099999999999994 111.202 -179.984 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -66.4 -35.06 79.37 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.227 -0.442 . . . . 65.430000000000007 111.117 179.826 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 45' ' ' VAL . . . . . 0.711 HG23 ' O ' ' A' ' 41' ' ' VAL . 55.4 t -63.69 -38.28 81.86 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.178 -0.465 . . . . 51.219999999999999 111.122 -179.971 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 50.8 tttm -51.9 -49.25 63.4 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.152 -0.476 . . . . 63.439999999999998 110.937 179.888 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -63.51 -30.62 71.71 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.211 -0.449 . . . . 74.519999999999996 111.088 179.851 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 48' ' ' ALA . . . . . 0.435 ' HB3' ' O ' ' A' ' 45' ' ' VAL . . . -58.59 -29.62 66.57 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.249 -0.432 . . . . 40.329999999999998 111.106 179.901 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 49' ' ' ILE . . . . . . . . . . . . . 64.3 mt -56.4 -54.63 25.98 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.342 0 CA-C-N 116.245 -0.434 . . . . 71.530000000000001 111.137 179.975 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -65.42 -24.19 67.14 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.194 -0.457 . . . . 63.43 111.15 179.763 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 34.7 mttt -76.93 -39.09 52.01 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.191 -0.459 . . . . 65.219999999999999 110.929 179.918 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 52' ' ' GLN . . . . . . . . . . . . . 9.5 mm100 -130.19 -68.59 0.7 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.245 -0.434 . . . . 73.540000000000006 110.937 179.938 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . 168.04 156.45 10.19 Favored Glycine 0 N--CA 1.452 -0.288 0 C-N-CA 120.726 -0.75 . . . . 45.329999999999998 112.459 179.985 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 54' ' ' ILE . . . . . . . . . . . . . 52.2 mt -53.89 -39.43 40.15 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-O 120.951 0.405 . . . . 71.299999999999997 111.157 -179.99 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 7.6 ptpp? -53.91 -45.56 71.18 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.181 -0.463 . . . . 75.150000000000006 110.874 179.885 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -65.99 -33.48 75.9 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.209 -0.45 . . . . 61.549999999999997 110.889 179.893 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -61.65 -41.77 97.98 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.253 -0.43 . . . . 74.200000000000003 111.118 179.814 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 58' ' ' ILE . . . . . 0.828 HG12 HG21 ' A' ' 15' ' ' VAL . 55.5 mt -56.74 -56.92 11.57 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.218 -0.446 . . . . 72.409999999999997 111.109 179.989 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 59' ' ' GLN . . . . . . . . . . . . . 42.8 mm-40 -57.0 -29.58 63.43 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.168 -0.469 . . . . 75.109999999999999 110.88 179.973 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 1.1 tp . . . . . 0 C--N 1.328 -0.329 0 CA-C-N 116.222 -0.445 . . . . 73.329999999999998 110.874 -179.949 . . . . . . . . 0 0 . 1 . 004 nuclear build full ' A' A ' 1' ' ' LEU . . . . . 0.444 HD22 HG13 ' A' ' 6' ' ' ILE . 45.2 mt . . . . . 0 C--O 1.231 0.116 0 CA-C-O 120.863 0.364 . . . . 71.25 110.908 . . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 2' ' ' VAL . . . . . 0.527 HG23 ' O ' ' A' ' 58' ' ' ILE . 34.9 t -63.33 -49.83 81.32 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.175 -0.466 . . . . 73.400000000000006 111.16 179.818 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . -64.35 -29.58 70.65 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.15 -0.477 . . . . 73.230000000000004 111.06 179.885 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 4' ' ' TYR . . . . . 0.644 ' HE2' HD12 ' A' ' 38' ' ' LEU . 77.6 t80 -73.97 -48.21 32.04 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.26 -0.427 . . . . 71.239999999999995 110.923 -179.86 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . 159.69 -27.04 0.35 Allowed Glycine 0 N--CA 1.452 -0.275 0 C-N-CA 120.732 -0.747 . . . . 73.049999999999997 112.466 180.0 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 6' ' ' ILE . . . . . 0.444 HG13 HD22 ' A' ' 1' ' ' LEU . 50.7 mm -58.98 130.15 22.02 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.35 0 CA-C-O 120.845 0.355 . . . . 73.349999999999994 111.092 -179.945 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -51.75 137.93 24.59 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.158 -0.473 . . . . 53.119999999999997 111.088 179.825 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 14.0 pt20 -68.02 -41.93 81.42 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.264 -0.426 . . . . 70.230000000000004 110.935 -179.95 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -53.77 -50.76 52.87 Favored Glycine 0 N--CA 1.451 -0.326 0 C-N-CA 120.764 -0.731 . . . . 62.43 112.482 -179.953 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 10' ' ' THR . . . . . 0.694 ' O ' HG23 ' A' ' 14' ' ' VAL . 95.6 m -76.55 -33.22 58.54 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.838 0.352 . . . . 71.030000000000001 111.115 -179.839 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 11' ' ' ALA . . . . . 0.751 ' O ' HG23 ' A' ' 15' ' ' VAL . . . -51.68 -48.56 63.41 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.203 -0.453 . . . . 64.109999999999999 111.116 179.864 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 6.5 mt-10 -52.08 -48.84 64.48 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.228 -0.442 . . . . 72.400000000000006 110.882 -179.9 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 3.3 ttmp? -67.49 -39.88 85.21 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.197 -0.456 . . . . 74.349999999999994 110.915 179.947 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 14' ' ' VAL . . . . . 0.694 HG23 ' O ' ' A' ' 10' ' ' THR . 90.2 t -61.12 -35.07 63.1 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.195 -0.457 . . . . 45.25 111.163 179.821 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 15' ' ' VAL . . . . . 0.751 HG23 ' O ' ' A' ' 11' ' ' ALA . 93.5 t -55.58 -44.68 77.41 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.16 -0.473 . . . . 74.519999999999996 111.179 179.896 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 4.9 m -54.33 -34.41 60.99 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.152 -0.476 . . . . 73.239999999999995 110.817 -179.818 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 4.2 mp -71.23 -35.45 71.49 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.15 -0.477 . . . . 75.329999999999998 110.906 -179.986 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 18' ' ' ILE . . . . . . . . . . . . . 34.8 mt -64.97 -49.83 77.83 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.353 0 CA-C-N 116.192 -0.458 . . . . 50.409999999999997 111.145 179.84 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 27.6 t-20 -58.62 -28.83 66.01 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.18 -0.463 . . . . 74.299999999999997 110.886 179.945 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 20' ' ' ALA . . . . . 0.608 ' HB3' HD23 ' A' ' 22' ' ' LEU . . . -65.09 -20.05 66.29 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.13 -0.487 . . . . 32.439999999999998 111.129 179.854 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . 101.81 18.08 19.12 Favored Glycine 0 N--CA 1.452 -0.262 0 C-N-CA 120.729 -0.748 . . . . 55.43 112.506 -179.938 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 22' ' ' LEU . . . . . 0.64 HD12 ' CB ' ' A' ' 26' ' ' SER . 4.5 mm? -74.89 136.37 41.46 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.939 0.4 . . . . 73.349999999999994 110.933 -179.889 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 20.7 p -83.67 161.41 21.08 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.163 -0.471 . . . . 73.400000000000006 111.166 179.959 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 24' ' ' VAL . . . . . 0.403 HG23 ' HB3' ' A' ' 42' ' ' PHE . 11.4 p -51.42 -30.9 11.31 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.227 -0.442 . . . . 61.439999999999998 111.112 179.899 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . -65.45 -39.63 95.81 Favored Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.764 -0.731 . . . . 72.040000000000006 112.457 -179.998 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 26' ' ' SER . . . . . 0.64 ' CB ' HD12 ' A' ' 22' ' ' LEU . 1.4 t -70.68 -32.75 70.11 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.796 0.332 . . . . 65.439999999999998 110.839 -179.726 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 35.9 mm -60.37 -55.0 27.25 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.154 -0.475 . . . . 63.420000000000002 111.153 179.972 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 28' ' ' ILE . . . . . 0.679 HD11 ' OG ' ' A' ' 39' ' ' SER . 83.2 mt -53.46 -34.2 22.9 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.168 -0.469 . . . . 65.0 111.126 179.847 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 15.6 t -63.53 -30.67 71.75 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.197 -0.456 . . . . 71.230000000000004 110.869 -179.946 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 30' ' ' ILE . . . . . . . . . . . . . 43.5 mm -69.73 -61.08 1.83 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.181 -0.463 . . . . 65.409999999999997 111.188 179.933 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 6.6 mp -63.05 -42.85 99.81 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.177 -0.465 . . . . 54.329999999999998 110.914 179.874 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . 50.01 58.03 9.18 Favored Glycine 0 N--CA 1.451 -0.342 0 C-N-CA 120.769 -0.729 . . . . 50.130000000000003 112.5 179.907 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -148.6 -147.57 4.56 Favored Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 120.752 -0.737 . . . . 61.119999999999997 112.48 -179.906 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 34' ' ' VAL . . . . . . . . . . . . . 32.3 m -78.21 -1.96 4.46 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-O 120.851 0.358 . . . . 75.420000000000002 111.133 179.958 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 71.3 p -78.21 -2.72 39.13 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.223 -0.444 . . . . 73.140000000000001 111.14 -179.946 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 36' ' ' VAL . . . . . 0.659 HG23 HG21 ' A' ' 28' ' ' ILE . 6.1 p -56.27 -24.33 17.99 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.264 0 CA-C-N 116.217 -0.447 . . . . 73.549999999999997 111.146 179.895 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . -91.21 -32.44 8.87 Favored Glycine 0 N--CA 1.452 -0.288 0 C-N-CA 120.688 -0.768 . . . . 71.319999999999993 112.501 179.998 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 38' ' ' LEU . . . . . 0.727 ' O ' HG22 ' A' ' 41' ' ' VAL . 4.3 mm? -66.19 -20.98 66.29 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-O 120.796 0.331 . . . . 61.439999999999998 110.893 -179.954 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 39' ' ' SER . . . . . 0.679 ' OG ' HD11 ' A' ' 28' ' ' ILE . 0.9 OUTLIER -58.56 -22.0 54.39 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.16 -0.473 . . . . 71.549999999999997 110.891 -179.892 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . -53.51 -26.29 30.37 Favored Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 120.719 -0.753 . . . . 31.32 112.479 -179.955 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 41' ' ' VAL . . . . . 0.727 HG22 ' O ' ' A' ' 38' ' ' LEU . 18.7 m -93.36 -20.3 6.42 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-O 120.889 0.376 . . . . 72.310000000000002 111.16 179.985 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 42' ' ' PHE . . . . . 0.403 ' HB3' HG23 ' A' ' 24' ' ' VAL . 4.6 t80 -55.15 -38.54 68.4 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.142 -0.481 . . . . 75.109999999999999 110.867 -179.982 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 21.3 m -58.46 -47.64 83.33 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.175 -0.466 . . . . 64.209999999999994 111.123 -179.882 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -65.7 -30.6 71.31 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.235 -0.439 . . . . 71.230000000000004 111.103 179.862 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 45' ' ' VAL . . . . . 0.634 HG23 ' O ' ' A' ' 41' ' ' VAL . 53.3 t -65.8 -44.73 92.88 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.202 -0.454 . . . . 73.420000000000002 111.141 179.953 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 1.2 tmtp? -53.96 -48.18 70.55 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.143 -0.48 . . . . 74.439999999999998 110.892 179.95 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -60.28 -30.75 69.66 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.258 -0.428 . . . . 73.140000000000001 111.083 179.804 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 48' ' ' ALA . . . . . 0.445 ' HB3' ' O ' ' A' ' 45' ' ' VAL . . . -58.88 -36.91 75.41 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.241 -0.436 . . . . 75.340000000000003 111.062 179.972 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 49' ' ' ILE . . . . . . . . . . . . . 68.3 mt -56.38 -55.78 17.18 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.243 -0.435 . . . . 72.409999999999997 111.133 179.981 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -65.42 -23.7 67.01 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.184 -0.462 . . . . 62.5 111.115 179.846 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 30.2 tttp -76.98 -37.46 55.1 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.206 -0.452 . . . . 74.230000000000004 110.877 179.925 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 52' ' ' GLN . . . . . . . . . . . . . 71.0 mm-40 -133.89 -67.79 0.58 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.225 -0.443 . . . . 65.010000000000005 110.87 -179.986 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . 169.91 156.07 10.7 Favored Glycine 0 N--CA 1.451 -0.361 0 C-N-CA 120.746 -0.74 . . . . 43.329999999999998 112.472 -179.948 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 54' ' ' ILE . . . . . . . . . . . . . 22.0 pt -51.67 -32.58 14.17 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-O 120.902 0.382 . . . . 72.219999999999999 111.146 -179.994 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -56.69 -42.14 78.55 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.157 -0.474 . . . . 63.310000000000002 110.867 179.894 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 17.0 tppt? -66.47 -35.21 79.72 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.205 -0.452 . . . . 64.219999999999999 110.892 179.879 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -60.49 -38.56 84.69 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.218 -0.446 . . . . 73.549999999999997 111.113 179.814 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 58' ' ' ILE . . . . . 0.527 ' O ' HG23 ' A' ' 2' ' ' VAL . 69.4 mt -56.46 -59.91 2.44 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.354 0 CA-C-N 116.268 -0.424 . . . . 71.019999999999996 111.146 179.952 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 59' ' ' GLN . . . . . . . . . . . . . 34.7 mm-40 -58.19 -27.2 63.65 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.152 -0.476 . . . . 61.229999999999997 110.929 179.913 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 C--N 1.328 -0.337 0 CA-C-N 116.201 -0.454 . . . . 74.040000000000006 110.907 -179.987 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 1' ' ' LEU . . . . . 0.556 HD22 HG13 ' A' ' 6' ' ' ILE . 39.6 mt . . . . . 0 C--O 1.231 0.11 0 CA-C-O 120.795 0.331 . . . . 73.409999999999997 110.912 . . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 2' ' ' VAL . . . . . 0.651 HG22 ' HA ' ' A' ' 8' ' ' GLN . 67.9 t -63.22 -50.04 80.67 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.228 -0.442 . . . . 74.219999999999999 111.117 179.859 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . -64.44 -28.99 70.05 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.17 -0.468 . . . . 72.400000000000006 111.078 179.892 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 4' ' ' TYR . . . . . . . . . . . . . 85.6 t80 -73.98 -48.31 31.23 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.218 -0.446 . . . . 70.430000000000007 110.921 -179.889 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . 160.22 -27.57 0.33 Allowed Glycine 0 N--CA 1.451 -0.307 0 C-N-CA 120.791 -0.719 . . . . 72.409999999999997 112.491 179.992 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 6' ' ' ILE . . . . . 0.556 HG13 HD22 ' A' ' 1' ' ' LEU . 50.6 mm -57.8 137.69 19.66 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.342 0 CA-C-O 120.818 0.342 . . . . 74.420000000000002 111.131 -179.985 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 7' ' ' ALA . . . . . 0.465 ' O ' ' HB2' ' A' ' 11' ' ' ALA . . . -51.64 139.52 20.66 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.183 -0.462 . . . . 73.239999999999995 111.102 179.817 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 8' ' ' GLN . . . . . 0.651 ' HA ' HG22 ' A' ' 2' ' ' VAL . 6.6 pt20 -67.88 -42.82 80.67 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.244 -0.435 . . . . 71.549999999999997 110.952 -179.977 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -62.33 -46.51 93.74 Favored Glycine 0 N--CA 1.451 -0.354 0 C-N-CA 120.781 -0.723 . . . . 51.43 112.507 179.982 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 88.2 m -77.0 -25.88 53.21 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-O 120.815 0.34 . . . . 53.140000000000001 111.14 -179.864 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 11' ' ' ALA . . . . . 0.745 ' O ' HG23 ' A' ' 15' ' ' VAL . . . -51.53 -36.86 46.72 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.207 -0.451 . . . . 74.299999999999997 111.054 179.91 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 13.3 mt-10 -72.26 -32.94 67.12 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.236 -0.438 . . . . 63.229999999999997 110.838 -179.879 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 29.7 mttm -69.42 -54.26 15.24 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.208 -0.451 . . . . 75.140000000000001 110.888 179.953 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 16.9 m -52.08 -34.91 18.17 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.252 -0.431 . . . . 73.310000000000002 111.112 179.888 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 15' ' ' VAL . . . . . 0.745 HG23 ' O ' ' A' ' 11' ' ' ALA . 53.8 t -55.57 -34.71 35.98 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.183 -0.462 . . . . 43.310000000000002 111.19 179.9 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 1.7 t -59.53 -37.61 78.83 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.177 -0.465 . . . . 74.299999999999997 110.88 -179.873 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 2.5 mp -71.38 -29.14 64.6 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.069 -0.514 . . . . 72.510000000000005 110.885 -179.965 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 18' ' ' ILE . . . . . . . . . . . . . 24.2 mt -65.27 -49.62 77.89 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.223 -0.444 . . . . 74.140000000000001 111.108 179.849 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 4.9 t-20 -55.81 -29.81 60.35 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.189 -0.46 . . . . 65.049999999999997 110.865 179.981 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 20' ' ' ALA . . . . . 0.586 ' HB3' HD23 ' A' ' 22' ' ' LEU . . . -64.94 -20.15 66.32 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.221 -0.445 . . . . 70.329999999999998 111.131 179.837 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . 95.94 17.71 34.31 Favored Glycine 0 N--CA 1.451 -0.362 0 C-N-CA 120.757 -0.735 . . . . 72.319999999999993 112.492 -179.952 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 22' ' ' LEU . . . . . 0.586 HD23 ' HB3' ' A' ' 20' ' ' ALA . 4.5 mm? -74.85 135.37 41.58 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-O 120.862 0.363 . . . . 71.209999999999994 110.905 -179.915 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 36.1 p -76.78 157.0 31.92 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.198 -0.455 . . . . 62.43 111.129 179.942 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 24' ' ' VAL . . . . . 0.406 HG11 ' OG1' ' A' ' 43' ' ' THR . 19.5 m -51.3 -30.44 10.27 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.186 -0.461 . . . . 53.310000000000002 111.167 179.904 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . -57.61 -46.54 91.99 Favored Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.711 -0.757 . . . . 74.209999999999994 112.489 179.987 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 2.8 m -70.8 -26.96 63.56 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.816 0.341 . . . . 54.340000000000003 110.84 -179.739 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 41.5 mm -60.27 -41.38 86.82 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 116.163 -0.471 . . . . 75.349999999999994 111.146 179.906 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 28' ' ' ILE . . . . . . . . . . . . . 41.0 mt -60.72 -43.9 96.11 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.178 -0.464 . . . . 64.299999999999997 111.167 179.841 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 2.8 t -63.92 -45.36 89.61 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.189 -0.459 . . . . 71.519999999999996 110.829 -179.915 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 30' ' ' ILE . . . . . . . . . . . . . 45.4 mm -70.02 -27.17 31.68 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.156 -0.475 . . . . 73.510000000000005 111.121 179.969 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 31' ' ' LEU . . . . . 0.643 HD11 HD11 ' A' ' 38' ' ' LEU . 0.3 OUTLIER -57.96 -22.84 51.12 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.156 -0.474 . . . . 73.549999999999997 110.935 179.907 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . 88.19 29.88 18.57 Favored Glycine 0 N--CA 1.452 -0.292 0 C-N-CA 120.712 -0.756 . . . . 74.439999999999998 112.526 179.93 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . 157.65 141.88 3.27 Favored Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 120.783 -0.722 . . . . 71.239999999999995 112.494 -179.907 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 34' ' ' VAL . . . . . 0.465 ' O ' HG23 ' A' ' 34' ' ' VAL . 8.2 m -69.72 101.88 0.76 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-O 120.89 0.376 . . . . 64.430000000000007 111.177 180.0 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 35' ' ' THR . . . . . 0.617 HG21 ' HG ' ' A' ' 38' ' ' LEU . 8.7 t -81.81 -36.68 28.11 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.188 -0.46 . . . . 65.099999999999994 111.148 -179.949 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 36' ' ' VAL . . . . . . . . . . . . . 22.1 t 50.44 65.63 0.17 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.224 -0.444 . . . . 64.349999999999994 111.164 179.908 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 174.03 -65.98 0.11 Allowed Glycine 0 N--CA 1.452 -0.299 0 C-N-CA 120.735 -0.745 . . . . 74.040000000000006 112.485 -179.995 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 38' ' ' LEU . . . . . 0.643 HD11 HD11 ' A' ' 31' ' ' LEU . 1.5 pp -59.78 -20.26 55.6 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-O 120.833 0.349 . . . . 72.439999999999998 110.912 -179.894 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -69.98 -43.83 70.67 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.163 -0.471 . . . . 72.340000000000003 110.84 -179.886 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . -60.49 -29.08 68.57 Favored Glycine 0 N--CA 1.451 -0.308 0 C-N-CA 120.745 -0.74 . . . . 75.530000000000001 112.447 -179.974 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 41' ' ' VAL . . . . . . . . . . . . . 7.2 p -93.12 -21.51 6.08 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.258 0 CA-C-O 120.831 0.348 . . . . 63.439999999999998 111.134 -179.962 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 42' ' ' PHE . . . . . . . . . . . . . 17.7 t80 -51.84 -45.85 64.15 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.224 -0.444 . . . . 74.010000000000005 110.9 179.949 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 43' ' ' THR . . . . . 0.406 ' OG1' HG11 ' A' ' 24' ' ' VAL . 0.5 OUTLIER -54.65 -46.59 73.98 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.114 -0.494 . . . . 53.340000000000003 111.153 -179.923 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -58.85 -33.76 70.81 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.236 -0.438 . . . . 75.230000000000004 111.14 179.832 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 45' ' ' VAL . . . . . 0.755 HG22 HD23 ' A' ' 60' ' ' LEU . 93.7 t -70.79 -46.96 66.16 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.234 -0.439 . . . . 70.200000000000003 111.1 179.972 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 8.6 tmtt? -57.79 -48.48 79.56 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.169 -0.469 . . . . 74.25 110.864 179.954 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -59.13 -35.19 73.05 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.28 -0.418 . . . . 73.409999999999997 111.118 179.833 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -57.4 -28.23 63.05 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.189 -0.459 . . . . 31.239999999999998 111.078 179.961 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 49' ' ' ILE . . . . . . . . . . . . . 72.8 mt -56.5 -56.02 16.06 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.233 -0.439 . . . . 71.239999999999995 111.122 -179.999 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -65.82 -23.57 66.72 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.182 -0.463 . . . . 51.140000000000001 111.115 179.833 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 1.5 tppp? -76.94 -36.6 56.45 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.189 -0.459 . . . . 53.420000000000002 110.86 179.986 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 52' ' ' GLN . . . . . . . . . . . . . 2.9 mp0 -135.92 -69.85 0.48 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.251 -0.431 . . . . 72.219999999999999 110.914 179.974 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . 175.12 155.45 12.57 Favored Glycine 0 N--CA 1.451 -0.344 0 C-N-CA 120.731 -0.747 . . . . 44.030000000000001 112.489 -179.98 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 54' ' ' ILE . . . . . . . . . . . . . 23.4 pt -51.42 -31.27 11.79 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-O 120.969 0.414 . . . . 73.129999999999995 111.158 179.992 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -56.6 -36.86 69.89 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.149 -0.478 . . . . 73.329999999999998 110.887 179.878 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 47.6 mmtt -66.24 -40.65 90.37 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.218 -0.446 . . . . 62.240000000000002 110.916 179.878 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -55.76 -34.96 65.69 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.202 -0.453 . . . . 73.519999999999996 111.09 179.857 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 58' ' ' ILE . . . . . 0.521 ' O ' HG23 ' A' ' 2' ' ' VAL . 71.4 mt -60.63 -57.58 11.36 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.247 -0.433 . . . . 72.409999999999997 111.12 179.924 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 59' ' ' GLN . . . . . . . . . . . . . 75.0 mm-40 -57.07 -31.71 65.5 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.171 -0.468 . . . . 71.340000000000003 110.905 179.962 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 60' ' ' LEU . . . . . 0.755 HD23 HG22 ' A' ' 45' ' ' VAL . 1.1 mp . . . . . 0 C--N 1.329 -0.312 0 CA-C-N 116.263 -0.426 . . . . 75.310000000000002 110.849 -179.962 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 1' ' ' LEU . . . . . 0.421 HD22 HG13 ' A' ' 6' ' ' ILE . 58.9 mt . . . . . 0 C--O 1.231 0.104 0 CA-C-O 120.838 0.351 . . . . 72.200000000000003 110.915 . . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 2' ' ' VAL . . . . . 0.475 HG23 ' O ' ' A' ' 58' ' ' ILE . 92.5 t -62.96 -48.91 85.76 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.163 -0.471 . . . . 72.450000000000003 111.128 179.827 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . -63.84 -32.63 74.21 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.227 -0.442 . . . . 45.100000000000001 111.074 179.869 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 4' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER -74.43 -50.93 16.45 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.225 -0.443 . . . . 75.049999999999997 110.929 -179.817 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . 160.11 55.5 0.01 OUTLIER Glycine 0 N--CA 1.452 -0.286 0 C-N-CA 120.677 -0.773 . . . . 71.040000000000006 112.427 179.998 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 6' ' ' ILE . . . . . 0.604 HD11 HD12 ' A' ' 38' ' ' LEU . 41.5 mm -134.35 144.39 35.32 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-O 120.826 0.346 . . . . 72.040000000000006 111.108 -179.999 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 7' ' ' ALA . . . . . 0.769 ' HB3' ' HB ' ' A' ' 10' ' ' THR . . . -51.48 144.61 9.99 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.155 -0.475 . . . . 73.400000000000006 111.072 179.804 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 6.3 tp-100 -67.35 -57.04 7.34 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.152 -0.477 . . . . 72.109999999999999 110.925 -179.92 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -67.63 -33.99 82.44 Favored Glycine 0 N--CA 1.452 -0.284 0 C-N-CA 120.743 -0.741 . . . . 73.040000000000006 112.477 -179.997 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 10' ' ' THR . . . . . 0.769 ' HB ' ' HB3' ' A' ' 7' ' ' ALA . 7.4 m -77.1 -25.65 52.47 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.734 0.302 . . . . 75.540000000000006 111.085 -179.853 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 11' ' ' ALA . . . . . 0.643 ' O ' HG23 ' A' ' 15' ' ' VAL . . . -50.96 -38.73 52.53 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.264 -0.425 . . . . 60.119999999999997 111.097 179.858 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 9.1 tt0 -71.82 -33.55 68.6 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.217 -0.447 . . . . 73.340000000000003 110.886 -179.912 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 51.9 mttp -69.32 -54.47 14.42 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.172 -0.467 . . . . 72.219999999999999 110.874 179.976 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 15.3 m -52.65 -41.31 37.3 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.247 -0.433 . . . . 65.430000000000007 111.098 179.904 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 15' ' ' VAL . . . . . 0.643 HG23 ' O ' ' A' ' 11' ' ' ALA . 63.6 t -59.48 -43.93 91.73 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.158 -0.474 . . . . 75.109999999999999 111.144 179.919 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 4.0 t -53.68 -34.57 59.14 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.169 -0.469 . . . . 63.509999999999998 110.88 -179.905 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 1.5 mt -71.54 -28.47 63.89 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.108 -0.497 . . . . 74.030000000000001 110.939 -179.989 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 18' ' ' ILE . . . . . . . . . . . . . 17.7 mt -65.52 -34.36 69.92 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.194 -0.457 . . . . 64.200000000000003 111.102 179.868 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 17.9 t-20 -57.4 -23.94 52.39 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.227 -0.442 . . . . 63.439999999999998 110.862 179.943 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -64.83 -20.03 66.18 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.202 -0.454 . . . . 64.340000000000003 111.093 179.872 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . 81.63 7.85 87.63 Favored Glycine 0 N--CA 1.452 -0.277 0 C-N-CA 120.726 -0.75 . . . . 72.439999999999998 112.465 -179.963 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 22' ' ' LEU . . . . . 0.569 HD12 ' OG ' ' A' ' 26' ' ' SER . 1.6 pt? -69.96 169.31 13.54 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.909 0.385 . . . . 73.239999999999995 110.913 -179.88 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 12.2 p -84.04 149.15 26.44 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.192 -0.458 . . . . 72.409999999999997 111.142 179.952 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 6.7 p -51.4 -33.03 13.86 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.227 -0.442 . . . . 75.340000000000003 111.129 179.903 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . -53.34 -35.1 49.6 Favored Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.722 -0.752 . . . . 75.530000000000001 112.494 -179.998 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 26' ' ' SER . . . . . 0.569 ' OG ' HD12 ' A' ' 22' ' ' LEU . 22.1 t -70.7 -27.03 63.69 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.834 0.35 . . . . 75.209999999999994 110.837 -179.787 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 38.1 mm -60.28 -49.28 84.8 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.152 -0.476 . . . . 71.549999999999997 111.124 179.942 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 28' ' ' ILE . . . . . 0.529 HD11 ' CB ' ' A' ' 39' ' ' SER . 59.9 mt -60.5 -40.63 84.94 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.194 -0.457 . . . . 65.430000000000007 111.176 179.876 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 2.4 t -55.49 -39.19 70.13 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.14 -0.482 . . . . 63.340000000000003 110.834 -179.906 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 30' ' ' ILE . . . . . . . . . . . . . 50.7 mm -74.45 -24.5 18.77 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-N 116.114 -0.494 . . . . 65.209999999999994 111.143 179.94 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 31' ' ' LEU . . . . . 0.941 HD22 HG21 ' A' ' 35' ' ' THR . 6.4 mt -78.48 -27.06 46.2 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.152 -0.477 . . . . 55.229999999999997 110.921 179.898 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . 128.04 -38.04 2.17 Favored Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.759 -0.734 . . . . 30.149999999999999 112.503 179.948 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 33' ' ' GLY . . . . . 0.573 ' O ' HG13 ' A' ' 36' ' ' VAL . . . 124.31 -23.63 6.4 Favored Glycine 0 N--CA 1.451 -0.353 0 C-N-CA 120.8 -0.714 . . . . 42.530000000000001 112.51 -179.918 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 34' ' ' VAL . . . . . . . . . . . . . 25.1 m -77.57 -13.03 14.09 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-O 120.899 0.381 . . . . 75.5 111.141 -179.976 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 35' ' ' THR . . . . . 0.941 HG21 HD22 ' A' ' 31' ' ' LEU . 80.6 p -87.27 8.17 25.37 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.133 -0.485 . . . . 73.200000000000003 111.12 -179.997 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 36' ' ' VAL . . . . . 0.573 HG13 ' O ' ' A' ' 33' ' ' GLY . 4.4 m -53.16 101.47 0.04 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.237 -0.438 . . . . 64.25 111.14 179.915 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 165.95 -45.99 0.27 Allowed Glycine 0 N--CA 1.451 -0.323 0 C-N-CA 120.767 -0.73 . . . . 72.329999999999998 112.494 -179.994 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 38' ' ' LEU . . . . . 0.604 HD12 HD11 ' A' ' 6' ' ' ILE . 2.0 pt? -66.2 -18.18 65.19 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-O 120.83 0.348 . . . . 73.430000000000007 110.921 -179.918 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 39' ' ' SER . . . . . 0.529 ' CB ' HD11 ' A' ' 28' ' ' ILE . 1.9 t -57.17 -23.83 50.18 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.191 -0.459 . . . . 71.439999999999998 110.863 -179.954 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . -74.24 -24.12 74.15 Favored Glycine 0 N--CA 1.451 -0.333 0 C-N-CA 120.701 -0.762 . . . . 71.329999999999998 112.496 -179.975 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 41' ' ' VAL . . . . . 0.448 HG22 ' O ' ' A' ' 38' ' ' LEU . 35.0 m -105.18 -24.39 4.06 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-O 120.854 0.359 . . . . 72.519999999999996 111.164 179.978 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 42' ' ' PHE . . . . . . . . . . . . . 11.9 t80 -54.13 -54.48 39.02 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.174 -0.466 . . . . 72.530000000000001 110.903 -179.975 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 1.1 m -54.01 -43.11 69.78 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.102 -0.499 . . . . 53.219999999999999 111.154 -179.923 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -59.86 -40.54 88.96 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.229 -0.441 . . . . 41.5 111.089 179.875 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 45' ' ' VAL . . . . . 0.609 HG22 HD23 ' A' ' 60' ' ' LEU . 89.2 t -70.54 -33.69 54.4 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.24 -0.436 . . . . 64.140000000000001 111.115 -180.0 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 19.0 ttpt -55.89 -52.97 62.21 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.203 -0.453 . . . . 75.439999999999998 110.875 179.927 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -57.38 -32.75 67.1 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.205 -0.452 . . . . 74.219999999999999 111.097 179.849 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 48' ' ' ALA . . . . . 0.414 ' HB3' ' O ' ' A' ' 45' ' ' VAL . . . -58.01 -31.12 66.65 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.197 -0.456 . . . . 74.310000000000002 111.102 179.945 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 49' ' ' ILE . . . . . . . . . . . . . 79.9 mt -56.38 -55.82 16.93 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.361 0 CA-C-N 116.222 -0.445 . . . . 72.420000000000002 111.142 179.993 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -62.31 -24.38 67.27 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.149 -0.478 . . . . 73.230000000000004 111.128 179.764 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 1.3 mmmm -77.11 -45.98 25.08 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.208 -0.451 . . . . 72.420000000000002 110.891 -179.998 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 52' ' ' GLN . . . . . . . . . . . . . 29.0 mm-40 -122.12 -72.83 0.67 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.198 -0.456 . . . . 65.209999999999994 110.896 179.966 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . 173.73 154.82 11.04 Favored Glycine 0 N--CA 1.451 -0.364 0 C-N-CA 120.802 -0.713 . . . . 63.119999999999997 112.55 -179.964 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 54' ' ' ILE . . . . . . . . . . . . . 17.5 pt -51.77 -34.78 16.93 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-O 120.911 0.386 . . . . 63.329999999999998 111.153 -179.938 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 13.0 ptpt -56.75 -45.17 82.18 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.124 -0.489 . . . . 74.209999999999994 110.914 179.795 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 3.0 mmmp? -66.18 -36.96 84.46 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.199 -0.455 . . . . 72.299999999999997 110.874 179.91 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -56.83 -32.98 66.29 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.238 -0.437 . . . . 72.519999999999996 111.056 179.858 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 58' ' ' ILE . . . . . 0.475 ' O ' HG23 ' A' ' 2' ' ' VAL . 77.8 mt -56.44 -59.46 2.89 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.212 -0.449 . . . . 64.450000000000003 111.086 -179.995 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 59' ' ' GLN . . . . . . . . . . . . . 33.1 mm-40 -54.8 -31.01 58.5 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.204 -0.453 . . . . 71.329999999999998 110.881 180.0 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 60' ' ' LEU . . . . . 0.609 HD23 HG22 ' A' ' 45' ' ' VAL . 1.2 mp . . . . . 0 C--N 1.328 -0.344 0 CA-C-N 116.196 -0.456 . . . . 51.109999999999999 110.899 -179.941 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 1' ' ' LEU . . . . . . . . . . . . . 1.7 mp . . . . . 0 C--O 1.231 0.109 0 CA-C-O 120.886 0.374 . . . . 75.349999999999994 110.926 . . . . . . . . . 0 0 . 1 . 007 nuclear build full ' A' A ' 2' ' ' VAL . . . . . 0.496 HG23 ' O ' ' A' ' 58' ' ' ILE . 25.5 t -62.95 -49.96 81.51 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.179 -0.464 . . . . 75.239999999999995 111.114 179.837 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . -64.18 -29.75 70.84 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.202 -0.454 . . . . 74.549999999999997 111.135 179.874 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 4' ' ' TYR . . . . . . . . . . . . . 1.7 m-85 -74.08 -48.5 29.38 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.178 -0.464 . . . . 70.319999999999993 110.933 -179.882 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . 160.68 -27.67 0.31 Allowed Glycine 0 N--CA 1.451 -0.335 0 C-N-CA 120.815 -0.707 . . . . 75.129999999999995 112.552 -179.988 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 50.0 mm -57.81 128.19 18.01 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-O 120.848 0.356 . . . . 71.420000000000002 111.144 179.993 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -51.41 132.0 29.21 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.151 -0.477 . . . . 65.420000000000002 111.144 179.817 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 3.4 pm0 -62.38 -32.03 72.78 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.224 -0.443 . . . . 45.409999999999997 110.859 -179.893 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -63.45 -51.14 56.78 Favored Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.752 -0.737 . . . . 63.020000000000003 112.479 -179.972 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 10' ' ' THR . . . . . 0.698 ' O ' HG23 ' A' ' 14' ' ' VAL . 93.1 m -77.11 -32.22 56.4 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-O 120.771 0.32 . . . . 72.140000000000001 111.123 -179.829 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 11' ' ' ALA . . . . . 0.75 ' O ' HG23 ' A' ' 15' ' ' VAL . . . -52.04 -44.69 64.35 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.23 -0.441 . . . . 72.409999999999997 111.068 179.851 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 60.6 mt-10 -52.19 -51.43 58.16 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.238 -0.437 . . . . 75.109999999999999 110.88 -179.92 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 46.5 mttp -67.53 -38.48 84.29 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.195 -0.457 . . . . 70.140000000000001 110.93 179.947 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 14' ' ' VAL . . . . . 0.698 HG23 ' O ' ' A' ' 10' ' ' THR . 99.3 t -60.21 -34.98 59.13 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.191 -0.459 . . . . 73.129999999999995 111.117 179.887 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 15' ' ' VAL . . . . . 0.75 HG23 ' O ' ' A' ' 11' ' ' ALA . 97.9 t -55.45 -44.51 76.25 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.164 -0.471 . . . . 72.150000000000006 111.15 179.947 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 27.9 t -53.22 -35.34 59.8 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.132 -0.486 . . . . 71.5 110.843 -179.819 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 5.0 mp -71.37 -36.43 71.45 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.107 -0.497 . . . . 74.150000000000006 110.868 -179.974 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 18' ' ' ILE . . . . . . . . . . . . . 33.6 mt -64.98 -49.76 78.15 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.179 -0.464 . . . . 50.32 111.164 179.817 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 34.1 t30 -58.28 -28.52 65.06 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.147 -0.479 . . . . 75.420000000000002 110.855 179.997 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 20' ' ' ALA . . . . . 0.613 ' HB3' HD23 ' A' ' 22' ' ' LEU . . . -65.37 -20.12 66.25 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.211 -0.45 . . . . 65.030000000000001 111.087 179.868 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . 96.75 19.63 26.51 Favored Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 120.708 -0.758 . . . . 74.319999999999993 112.519 -179.911 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 22' ' ' LEU . . . . . 0.613 HD23 ' HB3' ' A' ' 20' ' ' ALA . 4.4 mm? -74.82 136.29 41.6 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.897 0.379 . . . . 75.439999999999998 110.898 -179.935 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 3.1 p -77.26 156.73 31.22 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.23 -0.441 . . . . 73.299999999999997 111.141 179.905 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 19.6 m -51.49 -30.47 10.96 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.215 -0.448 . . . . 61.329999999999998 111.104 179.948 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . -58.97 -46.25 93.95 Favored Glycine 0 N--CA 1.451 -0.303 0 C-N-CA 120.73 -0.748 . . . . 23.350000000000001 112.477 179.981 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 2.7 m -66.81 -31.36 71.94 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.868 0.366 . . . . 74.209999999999994 110.875 -179.729 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 36.9 mm -60.4 -55.06 26.85 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.116 -0.493 . . . . 74.219999999999999 111.103 179.958 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 28' ' ' ILE . . . . . 0.722 HG23 ' OG1' ' A' ' 35' ' ' THR . 46.3 mm -60.47 -38.42 77.93 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.204 -0.453 . . . . 50.350000000000001 111.111 179.892 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 22.7 t -55.56 -31.31 62.05 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.166 -0.47 . . . . 71.409999999999997 110.829 -179.882 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 30' ' ' ILE . . . . . . . . . . . . . 44.4 mt -77.15 -49.02 23.72 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.346 0 CA-C-N 116.155 -0.475 . . . . 74.310000000000002 111.122 179.966 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 31' ' ' LEU . . . . . 0.761 ' HG ' HG21 ' A' ' 35' ' ' THR . 4.1 mm? -51.95 -39.03 58.6 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.187 -0.461 . . . . 73.420000000000002 110.96 179.86 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . 53.49 57.97 13.75 Favored Glycine 0 N--CA 1.451 -0.3 0 C-N-CA 120.768 -0.729 . . . . 72.450000000000003 112.48 179.888 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -168.45 -165.87 26.57 Favored Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.76 -0.733 . . . . 74.109999999999999 112.512 -179.9 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 34' ' ' VAL . . . . . . . . . . . . . 15.5 t -77.55 59.35 0.12 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-O 120.95 0.405 . . . . 74.439999999999998 111.145 -179.961 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 35' ' ' THR . . . . . 0.761 HG21 ' HG ' ' A' ' 31' ' ' LEU . 0.7 OUTLIER -87.01 7.18 28.76 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.132 -0.486 . . . . 61.049999999999997 111.113 -179.945 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 36' ' ' VAL . . . . . 0.451 HG13 ' O ' ' A' ' 36' ' ' VAL . 2.6 p -54.95 100.75 0.05 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.256 -0.429 . . . . 71.519999999999996 111.152 179.893 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 137.84 -31.54 2.46 Favored Glycine 0 N--CA 1.451 -0.361 0 C-N-CA 120.767 -0.73 . . . . 72.329999999999998 112.529 179.99 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 38' ' ' LEU . . . . . 0.601 ' O ' HD12 ' A' ' 38' ' ' LEU . 2.9 tp -66.65 -39.9 88.43 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.799 0.333 . . . . 74.549999999999997 110.938 -179.972 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 93.4 p -58.93 -25.55 63.58 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.165 -0.471 . . . . 61.009999999999998 110.887 -179.969 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . -61.4 -39.0 96.67 Favored Glycine 0 N--CA 1.451 -0.336 0 C-N-CA 120.734 -0.746 . . . . 72.239999999999995 112.466 -179.962 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 41' ' ' VAL . . . . . 0.679 ' O ' HG23 ' A' ' 45' ' ' VAL . 32.2 m -93.54 -24.86 5.0 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-O 120.868 0.366 . . . . 64.409999999999997 111.147 -179.965 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 42' ' ' PHE . . . . . . . . . . . . . 3.6 t80 -56.37 -51.32 68.73 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.172 -0.467 . . . . 74.540000000000006 110.888 -179.985 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 4.3 t -54.09 -41.1 67.87 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.163 -0.471 . . . . 64.120000000000005 111.159 -179.914 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -66.39 -33.59 76.05 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.171 -0.468 . . . . 53.200000000000003 111.126 179.81 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 45' ' ' VAL . . . . . 0.679 HG23 ' O ' ' A' ' 41' ' ' VAL . 62.6 t -63.56 -45.89 96.45 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.217 -0.447 . . . . 63.149999999999999 111.124 -179.987 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 30.3 tttm -51.91 -41.42 61.96 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.186 -0.461 . . . . 74.310000000000002 110.898 179.924 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -63.45 -35.36 80.17 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.209 -0.45 . . . . 73.299999999999997 111.107 179.807 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -61.1 -36.4 79.6 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.228 -0.442 . . . . 73.5 111.105 179.933 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 49' ' ' ILE . . . . . . . . . . . . . 75.7 mt -56.48 -56.05 15.88 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.241 -0.436 . . . . 52.310000000000002 111.14 179.967 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -65.57 -24.1 67.01 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.189 -0.46 . . . . 71.239999999999995 111.111 179.82 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 38.3 tttt -76.94 -34.92 57.61 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.189 -0.459 . . . . 72.329999999999998 110.911 179.976 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 52' ' ' GLN . . . . . . . . . . . . . 22.6 mm100 -136.81 -73.43 0.43 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.19 -0.459 . . . . 75.319999999999993 110.949 179.951 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . 178.47 154.18 12.35 Favored Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.764 -0.732 . . . . 55.119999999999997 112.483 -179.982 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 54' ' ' ILE . . . . . 0.411 ' O ' ' HB3' ' A' ' 57' ' ' ALA . 35.3 pt -51.42 -30.28 10.47 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-O 120.934 0.397 . . . . 71.310000000000002 111.134 179.989 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -52.06 -47.24 65.22 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.197 -0.456 . . . . 71.200000000000003 110.872 179.899 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 3.8 mttp -66.1 -28.53 68.89 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.223 -0.444 . . . . 73.120000000000005 110.945 179.837 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 57' ' ' ALA . . . . . 0.411 ' HB3' ' O ' ' A' ' 54' ' ' ILE . . . -62.96 -34.44 77.51 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.15 -0.477 . . . . 72.430000000000007 111.126 179.842 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 58' ' ' ILE . . . . . 0.496 ' O ' HG23 ' A' ' 2' ' ' VAL . 63.4 mt -61.91 -59.86 3.63 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.231 -0.44 . . . . 74.329999999999998 111.148 179.933 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 59' ' ' GLN . . . . . . . . . . . . . 3.8 pt20 -55.26 -26.98 43.3 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.131 -0.486 . . . . 75.530000000000001 110.943 179.942 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 60' ' ' LEU . . . . . 0.665 HD23 HG22 ' A' ' 45' ' ' VAL . 1.0 OUTLIER . . . . . 0 C--N 1.329 -0.32 0 CA-C-N 116.184 -0.462 . . . . 74.530000000000001 110.94 179.999 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 1' ' ' LEU . . . . . 0.478 HD22 HG13 ' A' ' 6' ' ' ILE . 58.7 mt . . . . . 0 C--O 1.232 0.138 0 CA-C-O 120.906 0.384 . . . . 74.5 110.931 . . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 2' ' ' VAL . . . . . 0.596 HG22 ' HA ' ' A' ' 8' ' ' GLN . 97.6 t -63.19 -49.22 84.06 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.21 -0.45 . . . . 74.420000000000002 111.111 179.89 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . -64.06 -28.62 69.91 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.197 -0.456 . . . . 65.040000000000006 111.103 179.857 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 4' ' ' TYR . . . . . 0.729 ' CZ ' HG11 ' A' ' 41' ' ' VAL . 0.2 OUTLIER -73.92 -51.06 17.31 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.238 -0.437 . . . . 73.430000000000007 110.906 -179.871 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . 164.87 -25.22 0.18 Allowed Glycine 0 N--CA 1.451 -0.309 0 C-N-CA 120.737 -0.744 . . . . 71.319999999999993 112.481 179.962 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 6' ' ' ILE . . . . . 0.478 HG13 HD22 ' A' ' 1' ' ' LEU . 50.3 mm -56.71 139.4 16.24 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-O 120.761 0.315 . . . . 74.239999999999995 111.182 179.999 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 7' ' ' ALA . . . . . 0.471 ' O ' ' HB2' ' A' ' 11' ' ' ALA . . . -51.46 142.93 12.83 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.222 -0.445 . . . . 52.229999999999997 111.058 179.831 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 8' ' ' GLN . . . . . 0.596 ' HA ' HG22 ' A' ' 2' ' ' VAL . 5.1 pt20 -68.09 -43.19 79.09 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.198 -0.455 . . . . 73.040000000000006 110.891 -179.948 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -69.11 -42.26 77.35 Favored Glycine 0 N--CA 1.451 -0.337 0 C-N-CA 120.715 -0.755 . . . . 51.409999999999997 112.484 -179.956 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 25.7 m -76.36 -25.64 54.88 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.798 0.332 . . . . 74.239999999999995 111.163 -179.874 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 11' ' ' ALA . . . . . 0.658 ' O ' HG23 ' A' ' 15' ' ' VAL . . . -51.05 -38.74 53.36 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.213 -0.449 . . . . 62.109999999999999 111.08 179.846 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 3.8 tt0 -71.85 -33.39 68.39 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.21 -0.45 . . . . 72.200000000000003 110.881 -179.934 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 25.3 tttp -69.43 -54.46 14.27 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.167 -0.47 . . . . 72.510000000000005 110.874 179.992 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 15.3 m -52.54 -41.23 36.04 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.225 -0.443 . . . . 72.25 111.122 179.878 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 15' ' ' VAL . . . . . 0.658 HG23 ' O ' ' A' ' 11' ' ' ALA . 59.7 t -58.61 -45.11 90.71 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.128 -0.487 . . . . 73.519999999999996 111.131 179.946 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 4.2 t -54.01 -33.95 58.56 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.138 -0.483 . . . . 65.150000000000006 110.889 -179.87 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 17' ' ' LEU . . . . . 0.722 HD12 HD21 ' A' ' 22' ' ' LEU . 0.2 OUTLIER -71.52 -28.01 63.59 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.085 -0.507 . . . . 54.399999999999999 110.978 179.993 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 18' ' ' ILE . . . . . 0.404 HD11 ' CZ ' ' A' ' 42' ' ' PHE . 17.4 mt -65.41 -32.49 58.44 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.138 -0.483 . . . . 71.109999999999999 111.144 179.807 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 19.3 t30 -59.01 -21.24 58.72 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.155 -0.475 . . . . 74.319999999999993 110.913 179.944 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -64.75 -20.0 66.1 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.185 -0.461 . . . . 74.219999999999999 111.098 179.843 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . 90.01 -7.28 81.94 Favored Glycine 0 N--CA 1.452 -0.295 0 C-N-CA 120.736 -0.745 . . . . 44.549999999999997 112.481 -179.954 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 22' ' ' LEU . . . . . 0.722 HD21 HD12 ' A' ' 17' ' ' LEU . 4.2 pp -67.45 146.5 53.93 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 120.891 0.377 . . . . 75.109999999999999 110.913 -179.943 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 2.3 p -76.61 170.79 15.77 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.168 -0.469 . . . . 70.530000000000001 111.163 179.919 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 24' ' ' VAL . . . . . 0.581 HG11 ' OG1' ' A' ' 43' ' ' THR . 26.3 m -51.82 -28.91 10.16 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-N 116.232 -0.44 . . . . 74.439999999999998 111.152 179.883 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . -52.81 -39.69 55.9 Favored Glycine 0 N--CA 1.451 -0.349 0 C-N-CA 120.729 -0.748 . . . . 54.340000000000003 112.488 -179.981 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 26' ' ' SER . . . . . 0.686 ' HB3' HD13 ' A' ' 22' ' ' LEU . 0.3 OUTLIER -70.55 -32.92 70.54 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.83 0.348 . . . . 75.209999999999994 110.857 -179.78 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 33.1 mm -60.6 -46.1 96.2 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.137 -0.483 . . . . 74.540000000000006 111.114 179.95 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 28' ' ' ILE . . . . . 0.825 HD13 HG23 ' A' ' 35' ' ' THR . 36.5 mm -60.5 -35.39 62.83 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.198 -0.455 . . . . 62.420000000000002 111.063 179.92 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 14.7 m -63.42 -31.1 72.16 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.201 -0.454 . . . . 64.109999999999999 110.844 -179.843 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 30' ' ' ILE . . . . . . . . . . . . . 50.0 mm -72.7 -60.49 2.37 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.139 -0.482 . . . . 72.25 111.107 179.971 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 4.4 mm? -58.29 -42.07 85.8 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.173 -0.467 . . . . 72.299999999999997 110.909 179.906 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . 119.33 -18.02 10.31 Favored Glycine 0 N--CA 1.451 -0.31 0 C-N-CA 120.716 -0.754 . . . . 72.150000000000006 112.488 179.911 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . 136.26 -5.74 3.91 Favored Glycine 0 N--CA 1.451 -0.332 0 C-N-CA 120.705 -0.76 . . . . 45.439999999999998 112.48 -179.87 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 34' ' ' VAL . . . . . . . . . . . . . 41.2 t -69.96 -34.87 61.81 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-O 120.92 0.39 . . . . 61.200000000000003 111.157 179.997 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 35' ' ' THR . . . . . 0.825 HG23 HD13 ' A' ' 28' ' ' ILE . 8.9 t -87.81 10.08 19.68 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.192 -0.458 . . . . 72.450000000000003 111.18 179.999 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 36' ' ' VAL . . . . . 0.549 ' HA ' HD12 ' A' ' 28' ' ' ILE . 12.1 p -53.35 -26.72 13.06 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.226 -0.443 . . . . 71.519999999999996 111.1 179.96 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . -89.12 -40.78 6.04 Favored Glycine 0 N--CA 1.451 -0.352 0 C-N-CA 120.768 -0.729 . . . . 54.0 112.482 179.998 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 38' ' ' LEU . . . . . 0.46 ' O ' HG22 ' A' ' 41' ' ' VAL . 4.3 mm? -66.28 -29.14 69.3 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-O 120.833 0.349 . . . . 64.010000000000005 110.918 -179.923 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 39' ' ' SER . . . . . 0.731 ' HB3' HD11 ' A' ' 28' ' ' ILE . 4.4 p -54.7 -26.99 37.25 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.166 -0.47 . . . . 74.329999999999998 110.822 -179.876 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . -52.05 -31.82 33.78 Favored Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.8 -0.714 . . . . 73.450000000000003 112.453 -179.967 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 41' ' ' VAL . . . . . 0.743 ' O ' HG23 ' A' ' 45' ' ' VAL . 26.9 m -105.1 -22.79 4.7 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-O 120.873 0.368 . . . . 73.049999999999997 111.13 -179.958 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 42' ' ' PHE . . . . . 0.404 ' CZ ' HD11 ' A' ' 18' ' ' ILE . 12.2 t80 -51.64 -43.13 62.51 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.143 -0.481 . . . . 63.509999999999998 110.844 -179.941 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 43' ' ' THR . . . . . 0.581 ' OG1' HG11 ' A' ' 24' ' ' VAL . 0.2 OUTLIER -58.98 -47.58 84.65 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.17 -0.468 . . . . 65.200000000000003 111.146 -179.897 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -66.52 -29.46 69.56 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.242 -0.435 . . . . 45.130000000000003 111.086 179.846 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 45' ' ' VAL . . . . . 0.743 HG23 ' O ' ' A' ' 41' ' ' VAL . 97.7 t -63.59 -38.59 82.66 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.25 -0.432 . . . . 52.149999999999999 111.143 179.988 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 41.9 tttm -51.91 -46.97 64.8 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.186 -0.461 . . . . 74.219999999999999 110.938 179.894 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -63.55 -30.91 71.96 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.225 -0.443 . . . . 62.409999999999997 111.114 179.835 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 48' ' ' ALA . . . . . 0.45 ' HB3' ' O ' ' A' ' 45' ' ' VAL . . . -57.28 -40.44 77.75 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.165 -0.471 . . . . 50.340000000000003 111.079 179.933 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 49' ' ' ILE . . . . . . . . . . . . . 73.6 mt -56.35 -55.67 17.7 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.234 -0.439 . . . . 72.319999999999993 111.148 179.963 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -63.86 -24.78 67.88 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.135 -0.484 . . . . 73.219999999999999 111.09 179.814 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 3.7 tppt? -77.02 -37.45 54.92 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.223 -0.444 . . . . 74.129999999999995 110.879 179.979 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 52' ' ' GLN . . . . . . . . . . . . . 53.4 mt-30 -131.98 -74.35 0.51 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.272 -0.422 . . . . 61.229999999999997 110.903 179.996 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . 175.5 153.3 10.16 Favored Glycine 0 N--CA 1.45 -0.373 0 C-N-CA 120.79 -0.719 . . . . 62.210000000000001 112.515 -179.967 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 54' ' ' ILE . . . . . . . . . . . . . 16.4 pt -51.83 -35.45 17.97 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-O 120.917 0.389 . . . . 70.549999999999997 111.112 -179.947 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 8.9 ptpp? -56.2 -44.85 79.88 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.156 -0.475 . . . . 73.340000000000003 110.883 179.866 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 21.2 mmmt -65.7 -38.4 89.13 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.247 -0.433 . . . . 54.020000000000003 110.903 179.857 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -56.92 -32.95 66.46 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.207 -0.451 . . . . 63.310000000000002 111.133 179.814 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 58' ' ' ILE . . . . . 0.4 ' O ' HG23 ' A' ' 2' ' ' VAL . 78.5 mt -58.8 -58.69 5.68 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.205 -0.452 . . . . 71.329999999999998 111.182 179.946 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 59' ' ' GLN . . . . . . . . . . . . . 52.1 mt-30 -51.75 -33.11 33.38 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.107 -0.497 . . . . 75.409999999999997 110.891 179.937 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 1.2 mp . . . . . 0 C--N 1.329 -0.322 0 CA-C-N 116.185 -0.462 . . . . 72.200000000000003 110.94 -179.992 . . . . . . . . 0 0 . 1 . 009 nuclear build full ' A' A ' 1' ' ' LEU . . . . . . . . . . . . . 2.1 mp . . . . . 0 C--O 1.231 0.087 0 CA-C-O 120.857 0.361 . . . . 73.540000000000006 110.883 . . . . . . . . . 0 0 . 1 . 009 nuclear build full ' A' A ' 2' ' ' VAL . . . . . 0.486 HG23 ' O ' ' A' ' 58' ' ' ILE . 39.1 t -63.16 -49.3 83.79 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.209 -0.451 . . . . 62.43 111.107 179.837 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . -64.36 -30.14 71.19 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.17 -0.468 . . . . 74.230000000000004 111.07 179.919 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 4' ' ' TYR . . . . . 0.713 ' CE1' HG21 ' A' ' 41' ' ' VAL . 65.7 t80 -74.08 -49.44 23.99 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.229 -0.441 . . . . 74.140000000000001 110.914 -179.843 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . 161.22 -26.85 0.28 Allowed Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 120.781 -0.723 . . . . 74.549999999999997 112.542 179.995 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 6' ' ' ILE . . . . . 0.433 HD11 HD22 ' A' ' 38' ' ' LEU . 51.0 mm -58.38 133.84 23.32 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-O 120.837 0.351 . . . . 74.450000000000003 111.154 -179.968 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -51.83 137.75 25.42 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.163 -0.471 . . . . 72.430000000000007 111.084 179.888 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 8' ' ' GLN . . . . . 0.48 ' HA ' HG22 ' A' ' 2' ' ' VAL . 43.7 tt0 -67.53 -46.44 72.78 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.204 -0.453 . . . . 60.200000000000003 110.889 -179.901 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -54.82 -46.11 77.24 Favored Glycine 0 N--CA 1.451 -0.343 0 C-N-CA 120.716 -0.754 . . . . 71.450000000000003 112.503 -179.961 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 10' ' ' THR . . . . . 0.709 ' O ' HG23 ' A' ' 14' ' ' VAL . 94.0 m -76.22 -37.86 57.16 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.766 0.317 . . . . 72.129999999999995 111.15 -179.891 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 11' ' ' ALA . . . . . 0.722 ' O ' HG23 ' A' ' 15' ' ' VAL . . . -53.33 -34.65 58.34 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.2 -0.455 . . . . 43.140000000000001 111.136 179.885 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 3.4 tt0 -55.61 -56.1 24.28 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.165 -0.47 . . . . 62.130000000000003 110.845 -179.935 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 1.3 mptm? -66.3 -38.77 88.49 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.176 -0.465 . . . . 60.119999999999997 110.86 -179.973 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 14' ' ' VAL . . . . . 0.709 HG23 ' O ' ' A' ' 10' ' ' THR . 94.1 t -53.47 -37.5 30.26 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.221 -0.445 . . . . 61.32 111.155 179.865 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 15' ' ' VAL . . . . . 0.722 HG23 ' O ' ' A' ' 11' ' ' ALA . 57.9 t -55.62 -40.65 60.8 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.205 -0.452 . . . . 74.109999999999999 111.11 179.917 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 6.3 t -53.72 -38.02 63.89 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.185 -0.461 . . . . 71.109999999999999 110.858 -179.799 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 5.5 mt -71.25 -37.6 71.96 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.115 -0.493 . . . . 61.020000000000003 110.906 179.969 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 18' ' ' ILE . . . . . . . . . . . . . 38.7 mt -65.04 -40.62 89.62 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.199 -0.455 . . . . 71.299999999999997 111.116 179.88 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 14.9 t-20 -58.23 -25.33 61.54 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.153 -0.476 . . . . 72.510000000000005 110.871 179.961 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -64.96 -20.1 66.3 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.182 -0.463 . . . . 34.240000000000002 111.094 179.87 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . 87.48 14.46 63.63 Favored Glycine 0 N--CA 1.451 -0.339 0 C-N-CA 120.791 -0.718 . . . . 62.420000000000002 112.456 -179.957 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 4.0 mm? -74.94 155.04 37.86 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-O 120.945 0.402 . . . . 50.140000000000001 110.871 -179.906 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 17.8 p -84.21 160.69 20.76 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.165 -0.47 . . . . 72.549999999999997 111.154 179.947 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 11.3 p -51.44 -29.96 10.11 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.239 -0.437 . . . . 74.349999999999994 111.134 179.866 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . -52.95 -49.56 54.57 Favored Glycine 0 N--CA 1.45 -0.372 0 C-N-CA 120.784 -0.722 . . . . 64.319999999999993 112.514 179.988 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 26' ' ' SER . . . . . 0.645 ' O ' HD12 ' A' ' 30' ' ' ILE . 1.5 p -70.73 -29.78 66.14 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.839 0.352 . . . . 61.310000000000002 110.841 -179.73 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 34.5 mm -60.55 -49.17 85.47 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.137 -0.483 . . . . 60.140000000000001 111.124 179.955 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 28' ' ' ILE . . . . . 0.651 HG23 ' OG1' ' A' ' 35' ' ' THR . 79.1 mt -55.37 -33.02 30.48 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.171 -0.468 . . . . 72.040000000000006 111.114 179.837 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 6.2 t -59.91 -51.22 70.61 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.17 -0.468 . . . . 65.019999999999996 110.861 -179.861 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 30' ' ' ILE . . . . . 0.645 HD12 ' O ' ' A' ' 26' ' ' SER . 3.8 mp -77.59 -24.74 14.6 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.085 -0.507 . . . . 72.5 111.107 179.966 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 31' ' ' LEU . . . . . 0.938 HD21 HD21 ' A' ' 38' ' ' LEU . 6.2 tp -59.9 -27.5 66.78 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.223 -0.444 . . . . 74.140000000000001 110.888 179.907 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . 128.09 -38.18 2.14 Favored Glycine 0 N--CA 1.452 -0.292 0 C-N-CA 120.753 -0.737 . . . . 64.319999999999993 112.476 179.912 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . 121.98 164.1 12.12 Favored Glycine 0 N--CA 1.451 -0.342 0 C-N-CA 120.76 -0.733 . . . . 54.219999999999999 112.503 -179.885 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 34' ' ' VAL . . . . . 0.426 ' O ' HG12 ' A' ' 34' ' ' VAL . 3.2 t 52.11 27.22 0.13 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-O 120.942 0.401 . . . . 70.150000000000006 111.112 -179.961 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 35' ' ' THR . . . . . 0.717 HG21 ' HB3' ' A' ' 31' ' ' LEU . 28.5 p -88.64 10.23 21.34 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.22 -0.445 . . . . 75.109999999999999 111.132 -179.971 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 36' ' ' VAL . . . . . . . . . . . . . 61.0 t -51.21 102.25 0.03 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.218 -0.446 . . . . 63.329999999999998 111.133 179.895 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 162.83 -62.84 0.26 Allowed Glycine 0 N--CA 1.451 -0.339 0 C-N-CA 120.731 -0.747 . . . . 73.400000000000006 112.473 179.983 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 38' ' ' LEU . . . . . 0.938 HD21 HD21 ' A' ' 31' ' ' LEU . 1.3 pp -66.72 -13.8 61.77 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.82 0.343 . . . . 74.519999999999996 110.939 -179.924 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 74.5 p -51.93 -47.78 64.54 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.165 -0.47 . . . . 74.409999999999997 110.82 -179.924 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . -58.3 -20.28 43.33 Favored Glycine 0 N--CA 1.451 -0.342 0 C-N-CA 120.704 -0.76 . . . . 74.420000000000002 112.507 -179.946 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 41' ' ' VAL . . . . . 0.713 HG21 ' CE1' ' A' ' 4' ' ' TYR . 90.5 t -94.66 -36.7 7.17 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-O 120.815 0.341 . . . . 61.039999999999999 111.129 179.947 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 42' ' ' PHE . . . . . . . . . . . . . 2.2 t80 -53.78 -48.48 69.74 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.216 -0.447 . . . . 64.140000000000001 110.881 -179.955 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 1.9 m -54.72 -46.66 74.24 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.118 -0.492 . . . . 55.340000000000003 111.164 -179.911 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -61.65 -33.27 73.67 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.202 -0.453 . . . . 74.409999999999997 111.099 179.878 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 45' ' ' VAL . . . . . 0.579 HG23 ' O ' ' A' ' 41' ' ' VAL . 61.7 t -69.61 -48.11 67.57 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.221 -0.445 . . . . 71.319999999999993 111.156 179.931 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 5.5 mtpm? -52.07 -42.34 63.11 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.158 -0.474 . . . . 74.230000000000004 110.864 179.941 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -61.93 -40.02 94.06 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.222 -0.444 . . . . 72.450000000000003 111.11 179.859 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -57.16 -30.75 64.73 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.209 -0.451 . . . . 72.530000000000001 111.094 179.918 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 49' ' ' ILE . . . . . . . . . . . . . 73.1 mt -56.59 -55.86 17.15 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.219 -0.446 . . . . 74.010000000000005 111.124 -179.969 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -64.84 -22.43 66.99 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.183 -0.462 . . . . 71.420000000000002 111.105 179.823 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 26.9 mmtm -76.92 -46.03 25.72 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.224 -0.443 . . . . 74.25 110.918 179.915 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 52' ' ' GLN . . . . . . . . . . . . . 4.6 mt-30 -124.08 -68.61 0.85 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.24 -0.437 . . . . 73.209999999999994 110.94 179.94 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . 173.5 155.97 12.54 Favored Glycine 0 N--CA 1.45 -0.368 0 C-N-CA 120.723 -0.751 . . . . 71.120000000000005 112.509 -179.96 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 54' ' ' ILE . . . . . . . . . . . . . 20.5 pt -51.77 -33.69 15.73 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-O 120.876 0.369 . . . . 75.510000000000005 111.102 -179.976 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -55.58 -40.0 71.41 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.238 -0.437 . . . . 61.439999999999998 110.873 179.87 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 4.7 mptp? -65.87 -38.32 88.48 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.251 -0.431 . . . . 71.420000000000002 110.893 179.908 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -55.75 -35.13 65.86 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.212 -0.449 . . . . 51.340000000000003 111.1 179.832 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 58' ' ' ILE . . . . . 0.486 ' O ' HG23 ' A' ' 2' ' ' VAL . 77.3 mt -56.59 -56.12 15.72 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.228 -0.442 . . . . 70.349999999999994 111.13 179.97 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 59' ' ' GLN . . . . . . . . . . . . . 35.9 mt-30 -57.65 -27.1 62.54 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.214 -0.448 . . . . 72.409999999999997 110.933 179.957 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 C--N 1.328 -0.33 0 CA-C-N 116.165 -0.47 . . . . 71.099999999999994 110.92 179.997 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 1' ' ' LEU . . . . . . . . . . . . . 8.1 mp . . . . . 0 C--O 1.231 0.122 0 CA-C-O 120.861 0.362 . . . . 73.439999999999998 110.874 . . . . . . . . . 0 0 . 1 . 010 nuclear build full ' A' A ' 2' ' ' VAL . . . . . 0.65 HG22 ' HA ' ' A' ' 8' ' ' GLN . 71.1 t -62.46 -49.84 82.24 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.239 -0.437 . . . . 65.129999999999995 111.138 179.846 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . -64.44 -29.71 70.76 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.203 -0.453 . . . . 62.329999999999998 111.132 179.859 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 4' ' ' TYR . . . . . 0.634 ' CE2' HD22 ' A' ' 60' ' ' LEU . 1.1 m-85 -74.26 -50.96 16.8 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.162 -0.472 . . . . 71.319999999999993 110.921 -179.861 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . 164.06 -27.28 0.21 Allowed Glycine 0 N--CA 1.452 -0.293 0 C-N-CA 120.73 -0.748 . . . . 55.219999999999999 112.465 179.968 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 6' ' ' ILE . . . . . 1.031 HD11 HD13 ' A' ' 38' ' ' LEU . 50.6 mm -56.89 138.03 18.15 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-O 120.841 0.353 . . . . 73.400000000000006 111.145 -179.959 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 7' ' ' ALA . . . . . 0.467 ' O ' ' HB2' ' A' ' 11' ' ' ALA . . . -51.5 143.25 12.41 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.207 -0.451 . . . . 51.240000000000002 111.089 179.831 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 8' ' ' GLN . . . . . 0.65 ' HA ' HG22 ' A' ' 2' ' ' VAL . 24.9 pt20 -67.84 -42.46 81.39 Favored 'General case' 0 C--N 1.33 -0.283 0 CA-C-N 116.252 -0.431 . . . . 73.530000000000001 110.895 -179.923 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -68.14 -43.81 79.19 Favored Glycine 0 N--CA 1.452 -0.286 0 C-N-CA 120.732 -0.747 . . . . 71.239999999999995 112.492 -179.981 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 63.4 m -75.86 -25.74 56.46 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-O 120.757 0.313 . . . . 62.130000000000003 111.091 -179.832 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 11' ' ' ALA . . . . . 0.673 ' O ' HG23 ' A' ' 15' ' ' VAL . . . -51.08 -38.56 52.43 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.223 -0.444 . . . . 65.049999999999997 111.121 179.869 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 5.7 tm-20 -71.91 -33.39 68.26 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.269 -0.423 . . . . 75.340000000000003 110.919 -179.939 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 8.8 mtpm? -69.36 -54.48 14.31 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.166 -0.47 . . . . 74.430000000000007 110.893 179.936 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 14.9 m -52.49 -41.18 35.47 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.258 -0.428 . . . . 73.340000000000003 111.093 179.861 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 15' ' ' VAL . . . . . 0.673 HG23 ' O ' ' A' ' 11' ' ' ALA . 55.1 t -57.44 -44.15 84.03 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.212 -0.449 . . . . 64.340000000000003 111.137 179.918 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 10.1 t -53.6 -35.03 60.44 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.183 -0.462 . . . . 62.409999999999997 110.838 -179.834 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 17' ' ' LEU . . . . . 0.708 ' HG ' HD21 ' A' ' 22' ' ' LEU . 2.7 tp -71.49 -28.79 64.17 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.1 -0.5 . . . . 64.430000000000007 110.941 -179.991 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 18' ' ' ILE . . . . . 0.401 HD11 ' CZ ' ' A' ' 42' ' ' PHE . 21.3 mt -65.22 -38.26 82.21 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.158 -0.474 . . . . 75.340000000000003 111.167 179.808 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 10.0 t-20 -58.74 -22.18 57.09 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.194 -0.457 . . . . 72.439999999999998 110.875 179.93 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -64.88 -20.06 66.23 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.125 -0.488 . . . . 74.239999999999995 111.074 179.913 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . 93.75 -6.29 73.67 Favored Glycine 0 N--CA 1.451 -0.34 0 C-N-CA 120.753 -0.737 . . . . 63.32 112.483 -179.95 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 22' ' ' LEU . . . . . 0.708 HD21 ' HG ' ' A' ' 17' ' ' LEU . 3.9 pp -67.65 141.96 56.55 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-O 120.875 0.369 . . . . 74.239999999999995 110.915 -179.921 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 30.6 p -76.85 171.46 14.7 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.197 -0.456 . . . . 73.510000000000005 111.114 179.976 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 10.5 p -51.41 -30.34 10.51 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.191 -0.459 . . . . 71.129999999999995 111.08 179.903 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . -52.98 -38.42 55.38 Favored Glycine 0 N--CA 1.45 -0.368 0 C-N-CA 120.773 -0.727 . . . . 34.549999999999997 112.495 -179.975 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 26' ' ' SER . . . . . 0.641 ' HB2' HD13 ' A' ' 22' ' ' LEU . 2.1 m -70.77 -31.87 68.8 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 120.853 0.358 . . . . 71.409999999999997 110.849 -179.734 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 40.7 mm -61.42 -47.08 95.07 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.101 -0.5 . . . . 62.420000000000002 111.143 179.931 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 28' ' ' ILE . . . . . . . . . . . . . 40.2 mm -59.98 -36.37 66.65 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.156 -0.475 . . . . 64.120000000000005 111.147 179.837 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 2.0 t -60.55 -32.81 71.85 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.186 -0.461 . . . . 61.109999999999999 110.866 -179.934 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 30' ' ' ILE . . . . . . . . . . . . . 51.9 mm -77.19 -54.94 11.93 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.128 -0.487 . . . . 73.409999999999997 111.136 179.965 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 31' ' ' LEU . . . . . 0.809 ' HG ' HG21 ' A' ' 35' ' ' THR . 4.2 mm? -52.38 -41.9 63.52 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.2 -0.455 . . . . 72.409999999999997 110.898 179.91 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . 66.26 23.85 71.77 Favored Glycine 0 N--CA 1.45 -0.372 0 C-N-CA 120.759 -0.734 . . . . 71.409999999999997 112.546 179.929 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -138.28 -174.74 13.55 Favored Glycine 0 N--CA 1.452 -0.285 0 C-N-CA 120.746 -0.74 . . . . 74.140000000000001 112.427 -179.866 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 34' ' ' VAL . . . . . . . . . . . . . 16.1 m -77.35 59.86 0.12 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-O 120.906 0.384 . . . . 53.009999999999998 111.147 -179.967 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 35' ' ' THR . . . . . 0.935 HG22 HD21 ' A' ' 38' ' ' LEU . 2.8 p -86.93 7.07 28.95 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.186 -0.461 . . . . 65.409999999999997 111.151 -179.973 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 36' ' ' VAL . . . . . . . . . . . . . 33.4 m -58.03 -22.52 19.29 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.237 -0.438 . . . . 60.43 111.115 179.945 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . -81.06 -56.33 3.08 Favored Glycine 0 N--CA 1.451 -0.33 0 C-N-CA 120.707 -0.759 . . . . 33.130000000000003 112.512 179.982 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 38' ' ' LEU . . . . . 1.031 HD13 HD11 ' A' ' 6' ' ' ILE . 3.1 pp -66.29 -36.68 83.59 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 120.782 0.325 . . . . 70.200000000000003 110.903 -179.948 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 39.2 p -59.83 -21.03 60.35 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.208 -0.451 . . . . 72.0 110.847 -179.881 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . -52.65 -27.28 26.81 Favored Glycine 0 N--CA 1.451 -0.34 0 C-N-CA 120.739 -0.743 . . . . 63.009999999999998 112.497 179.966 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 41' ' ' VAL . . . . . 0.697 ' O ' HG23 ' A' ' 45' ' ' VAL . 18.9 m -93.42 -21.59 5.99 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-O 120.808 0.337 . . . . 71.140000000000001 111.067 -179.947 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 42' ' ' PHE . . . . . 0.401 ' CZ ' HD11 ' A' ' 18' ' ' ILE . 4.7 t80 -51.9 -39.72 59.53 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.249 -0.432 . . . . 74.439999999999998 110.891 -179.944 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -59.19 -51.48 69.83 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.156 -0.475 . . . . 74.319999999999993 111.146 -179.945 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -63.86 -29.83 70.98 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.188 -0.46 . . . . 71.150000000000006 111.073 179.896 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 45' ' ' VAL . . . . . 0.697 HG23 ' O ' ' A' ' 41' ' ' VAL . 90.1 t -65.13 -36.11 77.0 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.231 -0.441 . . . . 60.210000000000001 111.154 179.959 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 46' ' ' LYS . . . . . 0.569 ' HA ' HD12 ' A' ' 49' ' ' ILE . 2.5 ttmp? -55.98 -48.8 75.18 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.154 -0.475 . . . . 70.519999999999996 110.933 179.869 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -61.99 -30.06 70.68 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.211 -0.45 . . . . 71.129999999999995 111.075 179.835 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 48' ' ' ALA . . . . . 0.425 ' HB3' ' O ' ' A' ' 45' ' ' VAL . . . -58.74 -45.34 89.88 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.226 -0.443 . . . . 74.219999999999999 111.147 179.936 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 49' ' ' ILE . . . . . 0.569 HD12 ' HA ' ' A' ' 46' ' ' LYS . 4.1 mt -56.26 -52.84 46.74 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.213 -0.449 . . . . 75.129999999999995 111.153 179.964 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -65.08 -25.04 67.63 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.147 -0.478 . . . . 74.319999999999993 111.054 179.848 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 31.5 tptt -77.37 -39.82 46.05 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.22 -0.446 . . . . 74.140000000000001 110.847 -179.969 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 52' ' ' GLN . . . . . . . . . . . . . 28.2 mm-40 -134.42 -64.5 0.68 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.199 -0.455 . . . . 72.450000000000003 110.87 -179.974 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . 165.9 157.61 10.2 Favored Glycine 0 N--CA 1.451 -0.325 0 C-N-CA 120.775 -0.726 . . . . 71.349999999999994 112.516 -179.905 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 54' ' ' ILE . . . . . . . . . . . . . 1.7 pp -51.68 -30.56 11.73 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.358 0 CA-C-O 120.941 0.4 . . . . 73.129999999999995 111.137 179.988 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 15.2 ptmt -52.58 -46.45 66.92 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.149 -0.478 . . . . 75.530000000000001 110.874 179.907 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 32.1 tptt -66.54 -34.79 78.69 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.272 -0.422 . . . . 73.310000000000002 110.902 179.883 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -58.08 -33.08 68.68 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.208 -0.451 . . . . 53.229999999999997 111.137 179.791 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 58' ' ' ILE . . . . . 0.51 ' O ' HG23 ' A' ' 2' ' ' VAL . 67.8 mt -57.61 -60.04 2.61 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.19 -0.459 . . . . 63.100000000000001 111.162 179.949 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 59' ' ' GLN . . . . . . . . . . . . . 60.7 mm-40 -55.45 -31.9 62.32 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.185 -0.461 . . . . 62.219999999999999 110.881 179.971 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 60' ' ' LEU . . . . . 0.634 HD22 ' CE2' ' A' ' 4' ' ' TYR . 1.2 mt . . . . . 0 C--N 1.328 -0.339 0 CA-C-N 116.252 -0.431 . . . . 52.210000000000001 110.886 179.982 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 1' ' ' LEU . . . . . 0.501 ' HG ' HG11 ' A' ' 45' ' ' VAL . 45.3 mt . . . . . 0 C--O 1.231 0.119 0 CA-C-O 120.864 0.364 . . . . 71.230000000000004 110.903 . . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 2' ' ' VAL . . . . . 0.575 HG23 ' O ' ' A' ' 58' ' ' ILE . 90.3 t -59.5 -51.43 72.74 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.238 -0.437 . . . . 73.420000000000002 111.115 179.852 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . -65.07 -28.69 69.64 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.181 -0.463 . . . . 64.510000000000005 111.063 179.912 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 4' ' ' TYR . . . . . . . . . . . . . 2.7 m-85 -74.1 -50.65 18.56 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.223 -0.444 . . . . 62.039999999999999 110.936 -179.868 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . 160.79 49.75 0.02 OUTLIER Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.759 -0.734 . . . . 75.239999999999995 112.513 179.973 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 6' ' ' ILE . . . . . 0.572 HD11 HD23 ' A' ' 38' ' ' LEU . 45.9 mm -131.28 144.24 38.26 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-O 120.849 0.357 . . . . 72.340000000000003 111.107 -179.975 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 7' ' ' ALA . . . . . 0.731 ' HB3' ' HB ' ' A' ' 10' ' ' THR . . . -51.46 151.2 3.18 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.138 -0.483 . . . . 74.439999999999998 111.078 179.86 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 28.9 tt0 -68.0 -57.11 6.7 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.214 -0.448 . . . . 73.230000000000004 110.908 -179.914 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -71.0 -37.17 64.4 Favored Glycine 0 N--CA 1.451 -0.325 0 C-N-CA 120.777 -0.725 . . . . 55.299999999999997 112.52 179.995 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 10' ' ' THR . . . . . 0.731 ' HB ' ' HB3' ' A' ' 7' ' ' ALA . 3.3 m -70.91 -25.78 62.92 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-O 120.776 0.322 . . . . 73.319999999999993 111.157 -179.892 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 11' ' ' ALA . . . . . 0.636 ' O ' HG23 ' A' ' 15' ' ' VAL . . . -51.01 -38.73 53.08 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.209 -0.451 . . . . 60.329999999999998 111.093 179.872 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 39.9 mt-10 -71.8 -33.56 68.65 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.227 -0.442 . . . . 71.019999999999996 110.861 -179.898 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 32.9 tttt -69.27 -54.5 14.35 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.183 -0.462 . . . . 50.420000000000002 110.902 179.935 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 15.4 m -52.76 -41.16 37.89 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.264 0 CA-C-N 116.234 -0.439 . . . . 62.310000000000002 111.144 179.911 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 15' ' ' VAL . . . . . 0.636 HG23 ' O ' ' A' ' 11' ' ' ALA . 72.5 t -61.12 -42.81 94.67 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.133 -0.485 . . . . 64.129999999999995 111.148 179.893 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 3.2 t -53.48 -34.94 59.88 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.19 -0.459 . . . . 75.099999999999994 110.868 -179.879 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 3.0 mm? -71.54 -28.88 64.18 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.12 -0.491 . . . . 72.329999999999998 110.894 -179.959 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 18' ' ' ILE . . . . . . . . . . . . . 21.4 mt -65.3 -48.12 84.58 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.217 -0.447 . . . . 70.510000000000005 111.128 179.849 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 10.2 t-20 -58.37 -22.79 54.93 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.178 -0.464 . . . . 74.200000000000003 110.866 179.937 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -64.87 -20.01 66.2 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.179 -0.464 . . . . 73.129999999999995 111.123 179.869 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . 82.82 83.08 0.89 Allowed Glycine 0 N--CA 1.452 -0.271 0 C-N-CA 120.759 -0.734 . . . . 71.140000000000001 112.468 -179.987 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 8.9 mt -160.2 162.08 33.72 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.912 0.387 . . . . 64.340000000000003 110.875 -179.924 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 1.3 p -77.15 157.11 31.15 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.203 -0.453 . . . . 73.329999999999998 111.124 179.958 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 18.8 m -51.4 -30.26 10.38 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.194 -0.457 . . . . 72.120000000000005 111.075 179.954 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . -53.05 -41.7 60.37 Favored Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 120.727 -0.749 . . . . 63.100000000000001 112.495 179.982 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 24.1 t -63.6 -27.92 69.57 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.835 0.35 . . . . 74.329999999999998 110.878 -179.775 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 36.7 mm -62.92 -53.5 45.86 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.134 -0.485 . . . . 63.329999999999998 111.088 179.965 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 28' ' ' ILE . . . . . 0.659 HG23 ' OG1' ' A' ' 35' ' ' THR . 65.2 mt -60.23 -32.92 51.84 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.164 -0.471 . . . . 62.140000000000001 111.158 179.885 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 2.6 m -55.56 -41.68 73.62 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.156 -0.475 . . . . 70.019999999999996 110.885 -179.926 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 30' ' ' ILE . . . . . . . . . . . . . 75.6 mt -77.27 -46.12 28.81 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.103 -0.498 . . . . 64.030000000000001 111.111 179.963 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 4.1 mm? -54.49 -41.97 70.21 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.179 -0.464 . . . . 75.5 110.909 179.91 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . 57.51 43.75 93.99 Favored Glycine 0 N--CA 1.451 -0.323 0 C-N-CA 120.78 -0.724 . . . . 44.130000000000003 112.502 179.93 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -144.14 -173.3 15.45 Favored Glycine 0 N--CA 1.451 -0.34 0 C-N-CA 120.71 -0.757 . . . . 62.100000000000001 112.47 -179.94 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 34' ' ' VAL . . . . . . . . . . . . . 15.7 t -77.66 59.39 0.12 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-O 120.943 0.401 . . . . 70.400000000000006 111.099 -179.899 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 35' ' ' THR . . . . . 0.659 ' OG1' HG23 ' A' ' 28' ' ' ILE . 0.6 OUTLIER -86.95 7.01 29.3 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.146 -0.479 . . . . 64.319999999999993 111.149 -179.968 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 36' ' ' VAL . . . . . . . . . . . . . 54.6 t -57.7 98.79 0.06 OUTLIER 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.189 -0.459 . . . . 71.109999999999999 111.12 179.916 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 143.11 -52.06 0.64 Allowed Glycine 0 N--CA 1.452 -0.252 0 C-N-CA 120.732 -0.747 . . . . 71.049999999999997 112.457 179.96 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 38' ' ' LEU . . . . . 0.572 HD23 HD11 ' A' ' 6' ' ' ILE . 7.8 mp -58.6 -23.07 57.98 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-O 120.804 0.335 . . . . 75.230000000000004 110.899 -179.862 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 39' ' ' SER . . . . . 0.47 ' OG ' HD11 ' A' ' 28' ' ' ILE . 1.7 m -56.1 -25.37 45.39 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.211 -0.45 . . . . 72.329999999999998 110.849 -179.942 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . -74.16 -32.29 58.54 Favored Glycine 0 N--CA 1.452 -0.294 0 C-N-CA 120.739 -0.743 . . . . 40.329999999999998 112.505 -179.997 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 41' ' ' VAL . . . . . 0.638 ' O ' HG23 ' A' ' 45' ' ' VAL . 35.5 m -93.35 -24.67 5.09 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-O 120.857 0.36 . . . . 63.140000000000001 111.086 -179.939 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 42' ' ' PHE . . . . . . . . . . . . . 24.1 t80 -55.56 -56.02 25.2 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.216 -0.447 . . . . 70.430000000000007 110.873 -179.991 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 5.4 t -56.49 -39.06 72.63 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.169 -0.468 . . . . 72.549999999999997 111.169 -179.915 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -63.6 -36.41 83.72 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.216 -0.447 . . . . 43.009999999999998 111.07 179.904 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 45' ' ' VAL . . . . . 0.638 HG23 ' O ' ' A' ' 41' ' ' VAL . 88.7 t -69.64 -35.34 65.45 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.223 -0.444 . . . . 61.140000000000001 111.111 179.993 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 1.4 ttmp? -57.75 -51.48 69.39 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.175 -0.466 . . . . 64.030000000000001 110.92 179.887 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -57.02 -31.78 65.49 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.252 -0.431 . . . . 74.319999999999993 111.105 179.852 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 48' ' ' ALA . . . . . 0.409 ' HB3' ' O ' ' A' ' 45' ' ' VAL . . . -57.82 -30.21 65.54 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.229 -0.442 . . . . 61.130000000000003 111.073 179.936 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 49' ' ' ILE . . . . . . . . . . . . . 78.0 mt -56.38 -55.97 16.13 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-N 116.216 -0.447 . . . . 65.230000000000004 111.125 -179.988 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -62.74 -24.21 67.58 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.176 -0.465 . . . . 44.130000000000003 111.102 179.812 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 22.7 tttm -76.99 -44.68 30.1 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.179 -0.464 . . . . 61.539999999999999 110.908 179.987 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 52' ' ' GLN . . . . . . . . . . . . . 28.5 mt-30 -122.35 -74.63 0.61 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.226 -0.443 . . . . 62.039999999999999 110.902 179.963 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . 175.79 153.88 10.88 Favored Glycine 0 N--CA 1.451 -0.328 0 C-N-CA 120.715 -0.755 . . . . 73.310000000000002 112.47 -179.953 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 54' ' ' ILE . . . . . . . . . . . . . 16.5 pt -51.71 -35.55 17.64 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-O 120.919 0.39 . . . . 73.549999999999997 111.147 179.99 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 12.2 ptmm? -53.19 -47.03 69.21 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.15 -0.477 . . . . 70.200000000000003 110.881 179.857 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 17.0 mmmt -66.21 -34.31 77.73 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.263 -0.426 . . . . 62.25 110.897 179.869 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -57.47 -33.56 68.11 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.212 -0.449 . . . . 73.349999999999994 111.093 179.817 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 58' ' ' ILE . . . . . 0.575 ' O ' HG23 ' A' ' 2' ' ' VAL . 79.9 mt -60.45 -60.05 3.19 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.201 -0.454 . . . . 63.340000000000003 111.119 -179.991 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 59' ' ' GLN . . . . . . . . . . . . . 31.1 mt-30 -59.73 -26.99 66.09 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.205 -0.452 . . . . 62.240000000000002 110.889 179.947 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 2.7 mt . . . . . 0 C--N 1.328 -0.349 0 CA-C-N 116.224 -0.443 . . . . 74.019999999999996 110.958 179.971 . . . . . . . . 0 0 . 1 . 012 nuclear build full ' A' A ' 1' ' ' LEU . . . . . 0.665 HD12 HG21 ' A' ' 45' ' ' VAL . 7.0 mp . . . . . 0 C--O 1.231 0.119 0 CA-C-O 120.816 0.341 . . . . 74.319999999999993 110.925 . . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 2' ' ' VAL . . . . . 0.587 HG22 ' HA ' ' A' ' 8' ' ' GLN . 39.0 t -63.22 -49.51 82.85 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.212 -0.449 . . . . 62.310000000000002 111.122 179.84 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . -64.28 -29.22 70.31 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.221 -0.445 . . . . 74.400000000000006 111.129 179.85 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 4' ' ' TYR . . . . . 0.61 ' CE2' HD22 ' A' ' 60' ' ' LEU . 0.9 OUTLIER -74.06 -51.09 16.86 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.186 -0.461 . . . . 73.340000000000003 110.943 -179.849 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . 161.38 -24.46 0.24 Allowed Glycine 0 N--CA 1.451 -0.34 0 C-N-CA 120.767 -0.73 . . . . 45.149999999999999 112.469 179.943 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 6' ' ' ILE . . . . . 0.65 HD13 ' HG ' ' A' ' 1' ' ' LEU . 2.7 mp -63.23 137.08 25.25 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-O 120.859 0.361 . . . . 74.310000000000002 111.15 -179.979 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 7' ' ' ALA . . . . . 0.465 ' O ' ' HB2' ' A' ' 11' ' ' ALA . . . -51.21 142.08 13.49 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.215 -0.448 . . . . 65.049999999999997 111.135 179.807 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 8' ' ' GLN . . . . . 0.587 ' HA ' HG22 ' A' ' 2' ' ' VAL . 33.0 tt0 -67.6 -48.72 66.01 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.23 -0.441 . . . . 75.310000000000002 110.936 -179.97 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -54.55 -48.32 65.81 Favored Glycine 0 N--CA 1.452 -0.298 0 C-N-CA 120.732 -0.747 . . . . 72.430000000000007 112.5 -179.988 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 10' ' ' THR . . . . . 0.458 HG22 HG13 ' A' ' 14' ' ' VAL . 69.2 m -76.97 -25.94 53.36 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-O 120.78 0.324 . . . . 72.230000000000004 111.13 -179.825 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 11' ' ' ALA . . . . . 0.753 ' O ' HG23 ' A' ' 15' ' ' VAL . . . -51.61 -39.28 57.71 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.174 -0.466 . . . . 45.43 111.078 179.881 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 4.3 tt0 -72.08 -33.25 67.75 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.238 -0.437 . . . . 73.120000000000005 110.863 -179.895 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 33.3 mtmt -69.43 -54.2 15.54 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.212 -0.449 . . . . 54.399999999999999 110.895 179.975 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 14' ' ' VAL . . . . . 0.458 HG13 HG22 ' A' ' 10' ' ' THR . 17.1 m -52.11 -34.99 18.34 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.237 -0.438 . . . . 65.329999999999998 111.113 179.876 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 15' ' ' VAL . . . . . 0.753 HG23 ' O ' ' A' ' 11' ' ' ALA . 54.2 t -55.51 -47.21 78.81 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.206 -0.452 . . . . 64.340000000000003 111.136 179.926 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 22.9 t -53.52 -33.44 54.49 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.171 -0.468 . . . . 63.119999999999997 110.846 -179.818 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -71.35 -30.41 66.14 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.098 -0.501 . . . . 64.430000000000007 110.927 179.958 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 18' ' ' ILE . . . . . . . . . . . . . 22.4 mt -65.42 -50.01 75.11 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.352 0 CA-C-N 116.213 -0.449 . . . . 75.209999999999994 111.092 179.891 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 11.4 t-20 -58.91 -21.6 58.03 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.218 -0.447 . . . . 73.230000000000004 110.897 179.9 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -64.81 -20.06 66.18 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.167 -0.469 . . . . 64.420000000000002 111.114 179.874 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . 91.46 77.71 1.36 Allowed Glycine 0 N--CA 1.451 -0.323 0 C-N-CA 120.757 -0.735 . . . . 64.510000000000005 112.54 -179.946 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 22' ' ' LEU . . . . . 0.466 HD22 ' OG ' ' A' ' 26' ' ' SER . 9.1 mt -160.17 144.85 14.66 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.934 0.397 . . . . 72.25 110.895 -179.899 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 69.3 p -76.65 165.47 24.72 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.154 -0.475 . . . . 73.030000000000001 111.175 179.947 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 18.6 m -51.48 -30.35 10.77 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.266 -0.425 . . . . 64.329999999999998 111.142 179.936 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . -53.22 -36.78 53.38 Favored Glycine 0 N--CA 1.451 -0.339 0 C-N-CA 120.728 -0.748 . . . . 53.210000000000001 112.472 -179.992 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 26' ' ' SER . . . . . 0.466 ' OG ' HD22 ' A' ' 22' ' ' LEU . 1.8 m -70.51 -28.03 64.65 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.799 0.333 . . . . 71.209999999999994 110.825 -179.735 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 47.6 mm -67.9 -49.34 69.76 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.175 -0.466 . . . . 71.340000000000003 111.111 179.948 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 28' ' ' ILE . . . . . 0.611 HD11 ' HB2' ' A' ' 39' ' ' SER . 42.1 mt -51.97 -32.91 15.53 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.177 -0.465 . . . . 72.25 111.136 179.867 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 22.5 m -58.66 -36.71 74.58 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.223 -0.444 . . . . 55.219999999999999 110.873 -179.931 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 30' ' ' ILE . . . . . . . . . . . . . 48.7 mt -77.26 -61.04 1.84 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.095 -0.502 . . . . 74.099999999999994 111.119 179.967 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 88.1 mt -53.76 -27.97 31.82 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.188 -0.46 . . . . 74.310000000000002 110.924 179.911 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . 91.84 13.08 58.44 Favored Glycine 0 N--CA 1.451 -0.305 0 C-N-CA 120.691 -0.766 . . . . 75.409999999999997 112.492 179.916 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . 52.17 35.9 43.15 Favored Glycine 0 N--CA 1.451 -0.303 0 C-N-CA 120.754 -0.736 . . . . 54.130000000000003 112.495 -179.899 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 34' ' ' VAL . . . . . . . . . . . . . 12.4 p -78.26 -31.08 16.02 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.261 0 CA-C-O 120.925 0.393 . . . . 61.240000000000002 111.128 -179.933 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 35' ' ' THR . . . . . 0.404 HG21 HD13 ' A' ' 38' ' ' LEU . 9.7 t -86.79 -36.47 18.53 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.171 -0.468 . . . . 65.310000000000002 111.121 -179.974 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 36' ' ' VAL . . . . . . . . . . . . . 21.3 t 51.0 63.43 0.21 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.249 -0.432 . . . . 74.239999999999995 111.12 179.916 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . -179.32 -34.98 0.06 OUTLIER Glycine 0 N--CA 1.452 -0.261 0 C-N-CA 120.748 -0.739 . . . . 74.409999999999997 112.494 -179.994 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 38' ' ' LEU . . . . . 0.404 HD13 HG21 ' A' ' 35' ' ' THR . 7.4 mp -58.24 -23.26 55.35 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.801 0.334 . . . . 72.140000000000001 110.896 -179.884 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 39' ' ' SER . . . . . 0.611 ' HB2' HD11 ' A' ' 28' ' ' ILE . 6.5 t -65.22 -24.52 67.37 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.235 -0.439 . . . . 74.239999999999995 110.882 -179.952 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . -79.42 -30.25 46.04 Favored Glycine 0 N--CA 1.451 -0.364 0 C-N-CA 120.794 -0.717 . . . . 63.240000000000002 112.494 179.994 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 41' ' ' VAL . . . . . 0.518 ' O ' HG23 ' A' ' 45' ' ' VAL . 18.9 m -93.11 -24.09 5.31 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-O 120.889 0.376 . . . . 72.439999999999998 111.133 -179.95 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 42' ' ' PHE . . . . . . . . . . . . . 5.0 t80 -62.87 -44.09 97.05 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.16 -0.473 . . . . 75.409999999999997 110.861 -179.912 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -57.55 -40.78 79.62 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.12 -0.491 . . . . 74.109999999999999 111.142 -179.884 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -65.37 -37.25 86.46 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.217 -0.447 . . . . 64.329999999999998 111.122 179.856 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 45' ' ' VAL . . . . . 0.665 HG21 HD12 ' A' ' 1' ' ' LEU . 92.3 t -65.91 -33.32 62.78 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-N 116.198 -0.456 . . . . 70.019999999999996 111.155 179.979 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 41.6 tptt -55.89 -52.91 62.41 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.182 -0.463 . . . . 74.340000000000003 110.917 179.878 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -62.93 -30.2 71.37 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.237 -0.438 . . . . 65.329999999999998 111.08 179.811 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -63.23 -42.87 99.3 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.24 -0.436 . . . . 72.450000000000003 111.087 179.974 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 49' ' ' ILE . . . . . 0.482 HG12 ' HB2' ' A' ' 57' ' ' ALA . 59.1 mt -56.42 -55.93 16.43 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.198 -0.455 . . . . 64.409999999999997 111.14 179.963 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -65.01 -21.71 66.89 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.179 -0.464 . . . . 51.340000000000003 111.064 179.843 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 1.2 mmmm -76.98 -60.96 2.14 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.224 -0.444 . . . . 75.109999999999999 110.893 -179.995 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 52' ' ' GLN . . . . . . . . . . . . . 28.3 mm-40 -105.8 -63.89 1.21 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.251 -0.431 . . . . 71.299999999999997 110.892 179.941 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . 168.67 157.94 12.05 Favored Glycine 0 N--CA 1.451 -0.344 0 C-N-CA 120.725 -0.75 . . . . 51.0 112.489 -179.956 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 54' ' ' ILE . . . . . . . . . . . . . 18.3 pt -51.6 -34.68 16.2 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-O 120.897 0.379 . . . . 71.409999999999997 111.128 -179.952 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 8.2 ptmt -53.97 -46.33 71.62 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.177 -0.465 . . . . 75.340000000000003 110.85 179.871 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -66.32 -32.75 74.34 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.286 -0.415 . . . . 65.5 110.877 179.904 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 57' ' ' ALA . . . . . 0.482 ' HB2' HG12 ' A' ' 49' ' ' ILE . . . -58.25 -33.58 69.52 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.245 -0.434 . . . . 74.120000000000005 111.116 179.806 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 58' ' ' ILE . . . . . 0.583 ' O ' HG23 ' A' ' 2' ' ' VAL . 79.3 mt -61.12 -59.48 4.2 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.241 -0.436 . . . . 60.340000000000003 111.129 -179.997 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 59' ' ' GLN . . . . . . . . . . . . . 0.3 OUTLIER -51.92 -32.53 33.19 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.148 -0.478 . . . . 54.130000000000003 110.886 179.956 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 60' ' ' LEU . . . . . 0.61 HD22 ' CE2' ' A' ' 4' ' ' TYR . 1.1 mt . . . . . 0 C--N 1.328 -0.334 0 CA-C-N 116.236 -0.438 . . . . 71.329999999999998 110.926 -180.0 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 1' ' ' LEU . . . . . 0.655 ' CD2' HG11 ' A' ' 45' ' ' VAL . 4.4 mm? . . . . . 0 C--O 1.231 0.124 0 CA-C-O 120.841 0.353 . . . . 74.340000000000003 110.953 . . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 2' ' ' VAL . . . . . 0.444 HG23 ' O ' ' A' ' 58' ' ' ILE . 90.9 t -63.02 -49.56 83.04 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.172 -0.467 . . . . 70.109999999999999 111.154 179.794 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . -64.1 -31.15 72.23 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.18 -0.464 . . . . 65.349999999999994 111.107 179.89 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 4' ' ' TYR . . . . . 0.555 ' CE2' HD22 ' A' ' 60' ' ' LEU . 1.0 OUTLIER -74.1 -49.87 22.03 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.201 -0.454 . . . . 71.219999999999999 110.918 -179.837 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 5' ' ' GLY . . . . . 0.501 ' O ' HD13 ' A' ' 6' ' ' ILE . . . 159.15 58.38 0.01 OUTLIER Glycine 0 N--CA 1.451 -0.3 0 C-N-CA 120.733 -0.746 . . . . 72.010000000000005 112.449 179.955 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 6' ' ' ILE . . . . . 0.566 HG13 HD12 ' A' ' 1' ' ' LEU . 46.8 mm -140.56 143.8 28.43 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-O 120.831 0.348 . . . . 75.540000000000006 111.148 179.982 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 7' ' ' ALA . . . . . 0.766 ' HB3' ' HB ' ' A' ' 10' ' ' THR . . . -54.06 151.53 6.82 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.162 -0.472 . . . . 54.439999999999998 111.164 179.784 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 21.9 tt0 -64.25 -56.98 10.86 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.263 -0.426 . . . . 73.109999999999999 110.924 -179.923 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -71.06 -27.05 72.71 Favored Glycine 0 N--CA 1.451 -0.352 0 C-N-CA 120.728 -0.749 . . . . 25.34 112.463 -179.957 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 10' ' ' THR . . . . . 0.766 ' HB ' ' HB3' ' A' ' 7' ' ' ALA . 35.0 m -75.25 -47.27 28.88 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.791 0.329 . . . . 55.030000000000001 111.133 -179.881 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 11' ' ' ALA . . . . . 0.7 ' O ' HG23 ' A' ' 15' ' ' VAL . . . -51.53 -30.96 22.31 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.201 -0.454 . . . . 63.329999999999998 111.097 179.915 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 7.0 tt0 -69.62 -53.38 19.01 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.197 -0.456 . . . . 61.409999999999997 110.912 -179.933 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 44.3 tttm -62.92 -41.65 99.53 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.121 -0.49 . . . . 74.519999999999996 110.926 179.952 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 14' ' ' VAL . . . . . 0.69 HG23 ' O ' ' A' ' 10' ' ' THR . 99.0 t -53.12 -34.86 22.07 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.266 0 CA-C-N 116.196 -0.456 . . . . 65.109999999999999 111.098 179.914 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 15' ' ' VAL . . . . . 0.7 HG23 ' O ' ' A' ' 11' ' ' ALA . 92.2 t -55.43 -40.89 60.16 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.194 -0.457 . . . . 50.420000000000002 111.163 179.882 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 5.1 t -61.01 -32.2 71.8 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.16 -0.473 . . . . 44.229999999999997 110.856 -179.906 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 1.4 mp -71.32 -31.38 67.33 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.138 -0.483 . . . . 73.510000000000005 110.932 -179.954 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 18' ' ' ILE . . . . . . . . . . . . . 29.9 mt -65.22 -48.17 84.57 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.162 -0.472 . . . . 71.010000000000005 111.161 179.803 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 18.0 t-20 -57.96 -29.43 65.2 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.176 -0.466 . . . . 60.539999999999999 110.889 179.917 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -65.04 -20.06 66.3 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.205 -0.452 . . . . 71.310000000000002 111.114 179.905 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . 87.86 18.76 55.68 Favored Glycine 0 N--CA 1.451 -0.361 0 C-N-CA 120.715 -0.755 . . . . 63.219999999999999 112.546 -179.942 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 13.4 mt -74.89 154.09 38.35 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 120.894 0.378 . . . . 61.32 110.909 -179.918 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 1.9 p -76.73 139.27 40.39 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.184 -0.462 . . . . 74.120000000000005 111.117 179.952 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 24' ' ' VAL . . . . . 0.639 HG12 ' CD1' ' A' ' 42' ' ' PHE . 19.1 m -51.46 -30.53 10.94 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.204 -0.453 . . . . 71.010000000000005 111.095 179.906 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . -54.22 -32.68 51.17 Favored Glycine 0 N--CA 1.451 -0.309 0 C-N-CA 120.745 -0.74 . . . . 54.310000000000002 112.482 -179.996 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 6.0 p -67.79 -28.14 67.34 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.847 0.356 . . . . 73.140000000000001 110.87 -179.731 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 27' ' ' ILE . . . . . 0.705 ' HA ' HD12 ' A' ' 30' ' ' ILE . 43.0 mm -60.3 -41.83 88.48 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.158 -0.474 . . . . 62.539999999999999 111.161 179.875 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 28' ' ' ILE . . . . . 0.578 HG23 ' OG1' ' A' ' 35' ' ' THR . 62.0 mt -60.36 -45.72 96.14 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 116.137 -0.483 . . . . 65.239999999999995 111.157 179.876 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 15.7 m -57.32 -30.89 65.14 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.149 -0.478 . . . . 62.210000000000001 110.895 -179.93 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 30' ' ' ILE . . . . . 0.705 HD12 ' HA ' ' A' ' 27' ' ' ILE . 47.4 mt -70.04 -60.95 1.91 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.081 -0.509 . . . . 74.319999999999993 111.084 179.992 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 4.3 mm? -55.21 -42.12 72.89 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.184 -0.462 . . . . 73.409999999999997 110.939 179.896 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . 51.75 28.51 23.35 Favored Glycine 0 N--CA 1.451 -0.333 0 C-N-CA 120.762 -0.733 . . . . 31.140000000000001 112.474 179.861 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -129.63 61.16 0.66 Allowed Glycine 0 N--CA 1.451 -0.309 0 C-N-CA 120.693 -0.765 . . . . 72.409999999999997 112.504 -179.911 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 34' ' ' VAL . . . . . . . . . . . . . 11.7 t 49.55 54.96 0.36 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-O 120.944 0.402 . . . . 73.430000000000007 111.142 -179.94 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 35' ' ' THR . . . . . 0.806 HG22 HD12 ' A' ' 38' ' ' LEU . 0.1 OUTLIER -87.04 7.47 27.58 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.177 -0.465 . . . . 54.399999999999999 111.104 -179.943 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 36' ' ' VAL . . . . . 0.42 ' O ' HG23 ' A' ' 36' ' ' VAL . 4.8 m -55.04 100.61 0.05 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.261 -0.427 . . . . 73.420000000000002 111.171 179.874 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 140.94 -41.47 1.26 Allowed Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 120.774 -0.727 . . . . 74.400000000000006 112.503 -179.977 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 38' ' ' LEU . . . . . 0.806 HD12 HG22 ' A' ' 35' ' ' THR . 74.8 mt -65.43 -18.27 65.19 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.866 0.365 . . . . 52.32 110.971 -179.934 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 39' ' ' SER . . . . . 0.414 ' HB3' HD11 ' A' ' 28' ' ' ILE . 13.4 p -69.25 -39.8 78.23 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.139 -0.482 . . . . 55.509999999999998 110.853 -179.911 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . -65.17 -22.34 68.92 Favored Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 120.733 -0.746 . . . . 53.5 112.485 -179.937 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 41' ' ' VAL . . . . . 0.593 ' O ' HG23 ' A' ' 45' ' ' VAL . 6.2 p -101.85 -23.35 4.41 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-O 120.844 0.354 . . . . 72.239999999999995 111.162 179.972 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 42' ' ' PHE . . . . . 0.639 ' CD1' HG12 ' A' ' 24' ' ' VAL . 11.2 t80 -58.89 -49.3 78.31 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.2 -0.454 . . . . 71.129999999999995 110.929 179.98 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 85.2 m -57.94 -44.18 86.78 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.104 -0.498 . . . . 64.120000000000005 111.15 -179.977 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -59.5 -36.64 76.46 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.242 -0.436 . . . . 35.140000000000001 111.097 179.889 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 45' ' ' VAL . . . . . 0.728 HG13 HD13 ' A' ' 60' ' ' LEU . 72.1 t -70.76 -32.84 50.4 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.237 -0.438 . . . . 72.200000000000003 111.107 -179.977 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 2.2 ttpm? -52.04 -52.79 48.6 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.154 -0.475 . . . . 75.439999999999998 110.896 179.94 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -63.3 -30.01 71.22 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.231 -0.44 . . . . 73.219999999999999 111.114 179.804 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 48' ' ' ALA . . . . . 0.459 ' HB3' ' O ' ' A' ' 45' ' ' VAL . . . -57.29 -28.93 63.46 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.237 -0.438 . . . . 53.299999999999997 111.079 179.928 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 49' ' ' ILE . . . . . 0.631 HG12 ' HB2' ' A' ' 57' ' ' ALA . 53.0 mt -56.45 -55.8 17.17 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.26 -0.427 . . . . 72.450000000000003 111.142 179.996 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -62.19 -23.93 66.91 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.223 -0.444 . . . . 73.540000000000006 111.136 179.771 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -76.97 -49.44 15.47 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.242 -0.436 . . . . 71.319999999999993 110.93 179.958 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 52' ' ' GLN . . . . . . . . . . . . . 28.4 mm-40 -108.17 -70.98 0.78 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.208 -0.451 . . . . 64.200000000000003 110.939 179.921 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . 169.57 156.45 10.88 Favored Glycine 0 N--CA 1.451 -0.303 0 C-N-CA 120.793 -0.718 . . . . 75.530000000000001 112.556 -179.965 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 54' ' ' ILE . . . . . 0.521 ' HA ' HG23 ' A' ' 49' ' ' ILE . 51.3 mt -53.81 -43.35 56.18 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-O 120.929 0.395 . . . . 54.539999999999999 111.16 179.971 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 8.8 ptpp? -56.73 -43.55 80.76 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.14 -0.482 . . . . 62.5 110.883 179.901 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -65.22 -29.86 70.7 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.2 -0.454 . . . . 73.25 110.913 179.862 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 57' ' ' ALA . . . . . 0.631 ' HB2' HG12 ' A' ' 49' ' ' ILE . . . -59.71 -41.28 90.44 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.198 -0.455 . . . . 73.209999999999994 111.102 179.807 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 58' ' ' ILE . . . . . 0.444 ' O ' HG23 ' A' ' 2' ' ' VAL . 61.3 mt -56.56 -58.0 7.12 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.179 -0.464 . . . . 53.420000000000002 111.165 179.992 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 59' ' ' GLN . . . . . . . . . . . . . 10.3 mm100 -53.51 -32.42 50.31 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.168 -0.469 . . . . 74.310000000000002 110.923 179.943 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 60' ' ' LEU . . . . . 0.728 HD13 HG13 ' A' ' 45' ' ' VAL . 1.3 mt . . . . . 0 C--N 1.328 -0.36 0 CA-C-N 116.185 -0.461 . . . . 72.510000000000005 110.911 179.973 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 1' ' ' LEU . . . . . 0.708 HD12 HG13 ' A' ' 6' ' ' ILE . 4.3 mm? . . . . . 0 C--O 1.231 0.104 0 CA-C-O 120.854 0.359 . . . . 73.349999999999994 110.961 . . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 2' ' ' VAL . . . . . 0.691 HG22 ' HA ' ' A' ' 8' ' ' GLN . 66.7 t -60.41 -51.41 73.29 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.18 -0.464 . . . . 62.140000000000001 111.111 179.83 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . -64.95 -27.22 68.69 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.209 -0.45 . . . . 73.120000000000005 111.108 179.891 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 4' ' ' TYR . . . . . . . . . . . . . 2.3 m-85 -73.92 -50.98 17.58 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.206 -0.452 . . . . 72.209999999999994 110.909 -179.831 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . 163.05 -26.18 0.22 Allowed Glycine 0 N--CA 1.452 -0.292 0 C-N-CA 120.708 -0.758 . . . . 61.420000000000002 112.486 179.958 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 6' ' ' ILE . . . . . 0.708 HG13 HD12 ' A' ' 1' ' ' LEU . 48.1 mm -61.49 138.94 21.34 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-O 120.779 0.323 . . . . 73.019999999999996 111.149 -179.962 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -51.45 143.16 12.38 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.169 -0.469 . . . . 64.299999999999997 111.087 179.819 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 8' ' ' GLN . . . . . 0.691 ' HA ' HG22 ' A' ' 2' ' ' VAL . 26.6 tt0 -67.97 -56.94 7.13 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.215 -0.448 . . . . 62.329999999999998 110.894 -179.903 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -52.17 -42.31 55.17 Favored Glycine 0 N--CA 1.451 -0.341 0 C-N-CA 120.745 -0.741 . . . . 65.340000000000003 112.501 179.984 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 27.4 m -77.03 -25.7 52.87 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-O 120.758 0.313 . . . . 72.430000000000007 111.141 -179.847 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 11' ' ' ALA . . . . . 0.655 ' O ' HG23 ' A' ' 15' ' ' VAL . . . -50.79 -39.02 51.62 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.195 -0.457 . . . . 61.539999999999999 111.106 179.927 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 3.3 tt0 -71.89 -33.86 68.69 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.227 -0.442 . . . . 75.530000000000001 110.874 -179.961 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 34.9 mttm -69.45 -54.45 14.26 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.126 -0.488 . . . . 63.520000000000003 110.92 179.963 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 14' ' ' VAL . . . . . 0.406 HG13 ' N ' ' A' ' 15' ' ' VAL . 4.1 p -52.74 -43.07 43.77 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.216 -0.447 . . . . 65.239999999999995 111.127 179.892 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 15' ' ' VAL . . . . . 0.655 HG23 ' O ' ' A' ' 11' ' ' ALA . 55.6 t -55.4 -45.76 78.25 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.148 -0.478 . . . . 53.200000000000003 111.139 179.915 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 1.3 t -57.04 -32.55 66.31 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.203 -0.453 . . . . 43.130000000000003 110.925 -179.911 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 17' ' ' LEU . . . . . 0.485 HD12 HD12 ' A' ' 22' ' ' LEU . 2.4 mm? -71.54 -27.67 63.34 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.116 -0.493 . . . . 70.510000000000005 110.932 179.955 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 18' ' ' ILE . . . . . 0.404 HD11 ' CZ ' ' A' ' 42' ' ' PHE . 19.7 mt -63.26 -46.85 94.62 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.227 -0.442 . . . . 64.129999999999995 111.136 179.833 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 13.1 t-20 -58.83 -21.91 57.65 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.21 -0.45 . . . . 73.0 110.864 179.926 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 20' ' ' ALA . . . . . 0.433 ' HB3' ' O ' ' A' ' 17' ' ' LEU . . . -64.9 -20.09 66.26 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.212 -0.449 . . . . 62.420000000000002 111.105 179.903 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . 102.96 -5.31 50.16 Favored Glycine 0 N--CA 1.451 -0.303 0 C-N-CA 120.712 -0.756 . . . . 42.130000000000003 112.495 -179.959 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 22' ' ' LEU . . . . . 0.632 HD22 ' CB ' ' A' ' 26' ' ' SER . 75.3 mt -67.68 126.29 28.91 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-O 120.923 0.392 . . . . 51.130000000000003 110.895 -179.909 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 5.8 p -76.75 173.19 11.95 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.142 -0.481 . . . . 71.010000000000005 111.135 179.959 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 24' ' ' VAL . . . . . 0.539 HG12 ' HB3' ' A' ' 42' ' ' PHE . 22.1 m -51.4 -30.33 10.46 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.231 -0.44 . . . . 73.430000000000007 111.133 179.932 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . -64.36 -43.1 97.32 Favored Glycine 0 N--CA 1.451 -0.328 0 C-N-CA 120.762 -0.732 . . . . 71.030000000000001 112.485 179.939 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 26' ' ' SER . . . . . 0.632 ' CB ' HD22 ' A' ' 22' ' ' LEU . 2.4 m -70.7 -32.22 69.37 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.824 0.345 . . . . 72.019999999999996 110.871 -179.741 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 42.7 mm -60.55 -54.9 28.76 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-N 116.15 -0.477 . . . . 74.030000000000001 111.147 179.896 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 28' ' ' ILE . . . . . . . . . . . . . 50.3 mm -53.63 -34.42 24.14 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.169 -0.469 . . . . 72.150000000000006 111.154 179.881 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 34.2 t -62.87 -33.03 74.42 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.119 -0.491 . . . . 62.43 110.881 -179.931 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 30' ' ' ILE . . . . . . . . . . . . . 50.1 mm -70.07 -25.17 27.19 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.156 -0.475 . . . . 75.329999999999998 111.132 179.947 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 4.1 tp -82.47 -25.76 33.26 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.192 -0.458 . . . . 74.409999999999997 110.89 179.914 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . 127.96 -21.59 5.54 Favored Glycine 0 N--CA 1.451 -0.346 0 C-N-CA 120.805 -0.712 . . . . 70.400000000000006 112.514 179.899 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 33' ' ' GLY . . . . . 0.429 ' O ' HG23 ' A' ' 36' ' ' VAL . . . 94.83 -4.65 68.71 Favored Glycine 0 N--CA 1.452 -0.292 0 C-N-CA 120.756 -0.735 . . . . 75.010000000000005 112.514 -179.907 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 34' ' ' VAL . . . . . . . . . . . . . 18.0 m -74.0 -8.8 12.19 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-O 120.884 0.373 . . . . 75.239999999999995 111.108 -179.997 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 35' ' ' THR . . . . . 0.611 HG21 HD12 ' A' ' 38' ' ' LEU . 0.0 OUTLIER -78.8 -69.82 0.54 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.233 -0.44 . . . . 75.420000000000002 111.113 -179.978 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 36' ' ' VAL . . . . . 0.429 HG23 ' O ' ' A' ' 33' ' ' GLY . 30.3 t 53.11 77.26 0.07 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.196 -0.456 . . . . 62.219999999999999 111.113 179.925 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 157.78 -39.2 0.54 Allowed Glycine 0 N--CA 1.451 -0.325 0 C-N-CA 120.749 -0.739 . . . . 73.430000000000007 112.533 179.975 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 38' ' ' LEU . . . . . 0.611 HD12 HG21 ' A' ' 35' ' ' THR . 0.9 OUTLIER -58.63 -25.34 62.6 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.795 0.331 . . . . 63.420000000000002 110.892 -179.933 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -54.81 -30.96 58.53 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.172 -0.467 . . . . 71.030000000000001 110.851 -179.892 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . -75.39 -21.78 76.91 Favored Glycine 0 N--CA 1.451 -0.305 0 C-N-CA 120.76 -0.733 . . . . 52.350000000000001 112.472 -179.999 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 41' ' ' VAL . . . . . 0.605 ' O ' HG23 ' A' ' 45' ' ' VAL . 98.5 t -93.56 -31.56 4.58 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-O 120.869 0.366 . . . . 75.319999999999993 111.152 -179.966 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 42' ' ' PHE . . . . . 0.539 ' HB3' HG12 ' A' ' 24' ' ' VAL . 5.4 t80 -65.04 -48.34 74.18 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.141 -0.482 . . . . 63.509999999999998 110.839 -179.963 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 43' ' ' THR . . . . . 0.423 ' HB ' HG11 ' A' ' 24' ' ' VAL . 4.4 t -54.07 -40.92 67.63 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.118 -0.492 . . . . 73.150000000000006 111.175 -179.905 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -66.45 -36.64 83.27 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.208 -0.451 . . . . 64.219999999999999 111.096 179.867 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 45' ' ' VAL . . . . . 0.679 HG11 HD21 ' A' ' 1' ' ' LEU . 93.6 t -70.9 -36.69 65.13 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.191 -0.459 . . . . 74.239999999999995 111.137 179.971 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 11.7 tttp -51.88 -51.13 58.95 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.184 -0.462 . . . . 74.019999999999996 110.953 179.874 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -63.03 -30.5 71.65 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.232 -0.44 . . . . 74.109999999999999 111.117 179.793 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 48' ' ' ALA . . . . . 0.424 ' HB3' ' O ' ' A' ' 45' ' ' VAL . . . -59.63 -39.56 84.72 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.225 -0.443 . . . . 61.32 111.08 179.923 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 49' ' ' ILE . . . . . 0.546 HG12 ' HB2' ' A' ' 57' ' ' ALA . 73.6 mt -56.0 -56.01 15.17 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.344 0 CA-C-N 116.253 -0.43 . . . . 72.129999999999995 111.117 179.985 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -64.6 -20.55 66.32 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.185 -0.461 . . . . 50.450000000000003 111.071 179.854 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -76.85 -59.37 2.8 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.259 -0.428 . . . . 75.329999999999998 110.882 179.973 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 52' ' ' GLN . . . . . . . . . . . . . 37.8 mm-40 -100.59 -74.96 0.59 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.184 -0.462 . . . . 74.340000000000003 110.909 179.985 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . 175.93 153.91 10.96 Favored Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 120.756 -0.735 . . . . 62.039999999999999 112.483 -179.976 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 54' ' ' ILE . . . . . . . . . . . . . 15.8 pt -51.64 -36.02 17.96 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-O 120.847 0.356 . . . . 61.229999999999997 111.1 -179.981 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 9.1 ptpp? -57.11 -46.05 82.93 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.203 -0.453 . . . . 60.539999999999999 110.92 179.871 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 35.1 mmtm -66.35 -33.04 74.82 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.235 -0.439 . . . . 24.440000000000001 110.887 179.846 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 57' ' ' ALA . . . . . 0.546 ' HB2' HG12 ' A' ' 49' ' ' ILE . . . -55.45 -41.12 72.45 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.199 -0.455 . . . . 64.310000000000002 111.171 179.842 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 58' ' ' ILE . . . . . 0.511 ' O ' HG23 ' A' ' 2' ' ' VAL . 63.6 mt -56.24 -60.02 2.27 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.207 -0.451 . . . . 73.409999999999997 111.15 179.953 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 59' ' ' GLN . . . . . . . . . . . . . 47.7 mt-30 -56.5 -27.29 56.83 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.158 -0.474 . . . . 64.019999999999996 110.927 179.921 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER . . . . . 0 C--N 1.329 -0.307 0 CA-C-N 116.195 -0.457 . . . . 61.240000000000002 110.944 -179.97 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 1' ' ' LEU . . . . . 0.616 HD23 HG21 ' A' ' 45' ' ' VAL . 10.7 mt . . . . . 0 C--O 1.231 0.101 0 CA-C-O 120.84 0.353 . . . . 75.519999999999996 110.866 . . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 2' ' ' VAL . . . . . 0.598 HG22 ' HA ' ' A' ' 8' ' ' GLN . 51.3 t -63.05 -48.97 85.37 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.224 -0.443 . . . . 72.450000000000003 111.136 179.857 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . -64.01 -29.96 71.07 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.109 -0.496 . . . . 63.329999999999998 111.113 179.856 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 4' ' ' TYR . . . . . 0.573 ' CE2' HG13 ' A' ' 41' ' ' VAL . 0.1 OUTLIER -74.13 -49.34 24.23 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.242 -0.435 . . . . 74.549999999999997 110.919 -179.852 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . 161.79 -25.45 0.24 Allowed Glycine 0 N--CA 1.451 -0.307 0 C-N-CA 120.71 -0.757 . . . . 61.299999999999997 112.477 179.969 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 6' ' ' ILE . . . . . 0.502 HD12 ' HA ' ' A' ' 1' ' ' LEU . 33.6 mt -56.94 136.88 19.55 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-O 120.843 0.354 . . . . 70.219999999999999 111.08 -179.906 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -51.61 134.33 29.84 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.138 -0.483 . . . . 61.210000000000001 111.079 179.804 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 8' ' ' GLN . . . . . 0.598 ' HA ' HG22 ' A' ' 2' ' ' VAL . 39.4 tt0 -67.83 -55.09 14.28 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.216 -0.447 . . . . 72.219999999999999 110.929 -179.957 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -52.19 -42.67 55.92 Favored Glycine 0 N--CA 1.451 -0.35 0 C-N-CA 120.708 -0.758 . . . . 74.140000000000001 112.481 -179.944 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 10' ' ' THR . . . . . 0.699 ' O ' HG23 ' A' ' 14' ' ' VAL . 95.7 m -75.71 -40.43 55.73 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 120.777 0.323 . . . . 70.329999999999998 111.141 -179.879 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 11' ' ' ALA . . . . . 0.741 ' O ' HG23 ' A' ' 15' ' ' VAL . . . -51.37 -30.97 20.66 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.222 -0.445 . . . . 55.140000000000001 111.117 179.841 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 14.2 tt0 -58.4 -57.08 14.48 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.209 -0.45 . . . . 72.099999999999994 110.896 -179.943 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 18.6 ptmt -68.42 -33.87 74.99 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.151 -0.477 . . . . 74.530000000000001 110.886 179.981 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 14' ' ' VAL . . . . . 0.699 HG23 ' O ' ' A' ' 10' ' ' THR . 91.7 t -57.39 -35.01 47.81 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.26 -0.427 . . . . 72.439999999999998 111.103 179.875 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 15' ' ' VAL . . . . . 0.741 HG23 ' O ' ' A' ' 11' ' ' ALA . 97.7 t -55.36 -48.12 77.22 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.137 -0.483 . . . . 72.450000000000003 111.119 179.95 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 18.1 t -53.01 -32.96 49.5 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.166 -0.47 . . . . 74.239999999999995 110.846 -179.858 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 17' ' ' LEU . . . . . 0.533 HD23 HD13 ' A' ' 30' ' ' ILE . 1.8 mp -71.36 -33.67 69.77 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.196 -0.456 . . . . 75.519999999999996 110.901 -179.983 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 18' ' ' ILE . . . . . . . . . . . . . 28.6 mt -65.22 -49.56 78.37 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.361 0 CA-C-N 116.206 -0.452 . . . . 62.219999999999999 111.106 179.843 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 3.2 m120 -57.71 -24.48 57.1 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.201 -0.454 . . . . 61.119999999999997 110.87 179.933 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -64.95 -20.08 66.28 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.162 -0.472 . . . . 44.119999999999997 111.079 179.892 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . 96.82 12.37 50.38 Favored Glycine 0 N--CA 1.451 -0.301 0 C-N-CA 120.716 -0.754 . . . . 74.230000000000004 112.442 -179.997 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 4.2 mm? -74.91 140.25 43.65 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-O 120.917 0.389 . . . . 74.040000000000006 110.919 -179.925 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 39.9 p -82.73 160.39 22.35 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.202 -0.453 . . . . 52.210000000000001 111.152 179.93 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 24' ' ' VAL . . . . . 0.696 HG21 ' HA ' ' A' ' 39' ' ' SER . 11.8 p -51.42 -30.52 10.81 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.196 -0.456 . . . . 74.340000000000003 111.132 179.938 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . -53.07 -43.95 62.58 Favored Glycine 0 N--CA 1.451 -0.338 0 C-N-CA 120.744 -0.741 . . . . 63.340000000000003 112.471 179.959 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 1.1 t -69.89 -34.83 74.06 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.809 0.338 . . . . 51.240000000000002 110.852 -179.702 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 27' ' ' ILE . . . . . 0.835 ' HA ' HD12 ' A' ' 30' ' ' ILE . 35.3 mm -60.38 -39.1 79.96 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.161 -0.472 . . . . 71.349999999999994 111.154 179.905 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 28' ' ' ILE . . . . . 0.495 HG23 ' OG1' ' A' ' 35' ' ' THR . 60.3 mt -60.43 -45.5 96.68 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.179 -0.464 . . . . 73.439999999999998 111.104 179.877 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 14.3 t -63.43 -31.41 72.56 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.204 -0.453 . . . . 42.119999999999997 110.896 -179.912 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 30' ' ' ILE . . . . . 0.835 HD12 ' HA ' ' A' ' 27' ' ' ILE . 28.4 mt -70.02 -61.13 1.81 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.13 -0.486 . . . . 71.439999999999998 111.099 179.937 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 31' ' ' LEU . . . . . 0.767 HD12 HG21 ' A' ' 35' ' ' THR . 61.9 mt -60.79 -42.33 97.37 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.181 -0.463 . . . . 74.109999999999999 110.935 179.901 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . 51.48 30.97 27.83 Favored Glycine 0 N--CA 1.451 -0.356 0 C-N-CA 120.804 -0.713 . . . . 71.329999999999998 112.476 179.943 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -128.15 70.85 0.5 Allowed Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 120.773 -0.727 . . . . 22.539999999999999 112.537 -179.966 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 34' ' ' VAL . . . . . . . . . . . . . 8.5 t 49.41 50.97 0.4 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-O 120.935 0.397 . . . . 65.030000000000001 111.132 -179.991 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 35' ' ' THR . . . . . 0.767 HG21 HD12 ' A' ' 31' ' ' LEU . 0.0 OUTLIER -87.49 8.65 23.93 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.191 -0.459 . . . . 72.519999999999996 111.192 -179.969 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 36' ' ' VAL . . . . . . . . . . . . . 55.3 t -55.83 -24.78 17.54 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.169 -0.468 . . . . 51.329999999999998 111.104 179.932 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . -90.75 -21.35 37.02 Favored Glycine 0 N--CA 1.452 -0.243 0 C-N-CA 120.701 -0.762 . . . . 74.340000000000003 112.505 179.98 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 38' ' ' LEU . . . . . 0.472 ' HG ' HG22 ' A' ' 35' ' ' THR . 4.3 mm? -66.2 -17.97 65.06 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.805 0.336 . . . . 72.239999999999995 110.911 -179.938 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 39' ' ' SER . . . . . 0.696 ' HA ' HG21 ' A' ' 24' ' ' VAL . 82.7 p -52.61 -29.17 24.51 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.18 -0.463 . . . . 63.530000000000001 110.831 -179.883 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . -99.0 -12.21 43.68 Favored Glycine 0 N--CA 1.452 -0.291 0 C-N-CA 120.745 -0.741 . . . . 72.329999999999998 112.433 -179.956 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 41' ' ' VAL . . . . . 0.573 HG13 ' CE2' ' A' ' 4' ' ' TYR . 93.7 t -93.26 -59.08 3.23 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-O 120.839 0.352 . . . . 43.43 111.105 -179.959 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 42' ' ' PHE . . . . . . . . . . . . . 2.6 t80 -51.87 -31.3 27.39 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.178 -0.465 . . . . 71.209999999999994 110.877 -179.967 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -61.7 -53.36 57.12 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.16 -0.473 . . . . 54.130000000000003 111.126 -179.914 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -58.94 -34.93 72.3 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.227 -0.442 . . . . 44.109999999999999 111.104 179.883 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 45' ' ' VAL . . . . . 0.616 HG21 HD23 ' A' ' 1' ' ' LEU . 87.4 t -64.76 -46.26 92.66 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.232 -0.44 . . . . 73.219999999999999 111.108 179.986 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 7.0 mtpm? -54.97 -45.2 74.95 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.177 -0.465 . . . . 74.349999999999994 110.916 179.936 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -63.43 -36.47 83.85 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.209 -0.45 . . . . 73.540000000000006 111.073 179.861 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -58.39 -32.28 68.46 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.224 -0.444 . . . . 70.409999999999997 111.12 179.937 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 49' ' ' ILE . . . . . . . . . . . . . 78.8 mt -56.15 -55.78 16.7 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.194 -0.457 . . . . 40.119999999999997 111.173 179.926 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -64.36 -22.73 67.05 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.119 -0.491 . . . . 74.409999999999997 111.053 179.851 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER -76.84 -47.97 19.81 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.223 -0.444 . . . . 70.030000000000001 110.95 179.936 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 52' ' ' GLN . . . . . . . . . . . . . 23.2 mm-40 -122.13 -67.53 0.95 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.169 -0.469 . . . . 65.129999999999995 110.902 179.98 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . 170.71 156.32 11.31 Favored Glycine 0 N--CA 1.451 -0.307 0 C-N-CA 120.748 -0.739 . . . . 72.040000000000006 112.466 -179.976 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 54' ' ' ILE . . . . . . . . . . . . . 16.7 pt -51.7 -35.35 17.36 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-O 120.94 0.4 . . . . 73.030000000000001 111.165 -179.994 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -56.56 -42.95 79.46 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.163 -0.471 . . . . 72.340000000000003 110.873 179.863 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -66.31 -35.36 80.17 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.226 -0.443 . . . . 71.409999999999997 110.931 179.846 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -56.33 -33.93 66.08 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.219 -0.446 . . . . 54.399999999999999 111.087 179.86 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 58' ' ' ILE . . . . . 0.551 ' O ' HG23 ' A' ' 2' ' ' VAL . 78.7 mt -56.39 -58.34 5.69 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.219 -0.446 . . . . 72.299999999999997 111.088 179.987 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 59' ' ' GLN . . . . . . . . . . . . . 67.6 mt-30 -56.1 -29.72 61.02 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.166 -0.47 . . . . 54.130000000000003 110.912 179.962 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER . . . . . 0 C--N 1.329 -0.318 0 CA-C-N 116.212 -0.449 . . . . 75.109999999999999 110.931 179.981 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 1' ' ' LEU . . . . . 0.632 HD22 HG13 ' A' ' 6' ' ' ILE . 40.6 mt . . . . . 0 C--O 1.231 0.089 0 CA-C-O 120.893 0.378 . . . . 75.319999999999993 110.9 . . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 2' ' ' VAL . . . . . 0.565 HG22 ' HA ' ' A' ' 8' ' ' GLN . 48.5 t -62.99 -49.19 84.54 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.252 0 CA-C-N 116.158 -0.474 . . . . 71.129999999999995 111.146 179.867 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . -64.16 -29.17 70.3 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.185 -0.462 . . . . 70.219999999999999 111.062 179.892 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 4' ' ' TYR . . . . . 0.586 ' OH ' HG11 ' A' ' 41' ' ' VAL . 0.2 OUTLIER -73.97 -50.99 17.43 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.28 -0.418 . . . . 75.209999999999994 110.87 -179.809 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . 163.77 -27.11 0.21 Allowed Glycine 0 N--CA 1.451 -0.351 0 C-N-CA 120.777 -0.725 . . . . 75.519999999999996 112.525 179.998 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 6' ' ' ILE . . . . . 0.632 HG13 HD22 ' A' ' 1' ' ' LEU . 50.8 mm -56.81 135.69 20.35 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-O 120.818 0.342 . . . . 64.299999999999997 111.134 -179.982 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -51.62 135.46 28.5 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.172 -0.467 . . . . 54.439999999999998 111.12 179.801 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 8' ' ' GLN . . . . . 0.565 ' HA ' HG22 ' A' ' 2' ' ' VAL . 6.3 pt20 -68.01 -42.78 80.18 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.238 -0.437 . . . . 73.329999999999998 110.912 -179.909 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -58.01 -47.65 87.72 Favored Glycine 0 N--CA 1.451 -0.336 0 C-N-CA 120.731 -0.747 . . . . 71.129999999999995 112.48 -179.988 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 10' ' ' THR . . . . . 0.712 ' O ' HG23 ' A' ' 14' ' ' VAL . 94.0 m -76.82 -32.93 57.94 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.768 0.318 . . . . 62.009999999999998 111.138 -179.878 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 11' ' ' ALA . . . . . 0.753 ' O ' HG23 ' A' ' 15' ' ' VAL . . . -51.66 -48.16 63.53 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.22 -0.445 . . . . 72.310000000000002 111.151 179.844 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 18.3 mt-10 -51.97 -48.64 64.25 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.233 -0.44 . . . . 73.219999999999999 110.871 -179.961 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 61.1 mttm -68.43 -39.35 81.58 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.197 -0.456 . . . . 75.439999999999998 110.889 179.97 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 14' ' ' VAL . . . . . 0.712 HG23 ' O ' ' A' ' 10' ' ' THR . 99.6 t -61.24 -34.98 62.98 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.188 -0.46 . . . . 74.25 111.165 179.847 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 15' ' ' VAL . . . . . 0.753 HG23 ' O ' ' A' ' 11' ' ' ALA . 98.9 t -55.48 -38.78 50.56 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.158 -0.474 . . . . 73.129999999999995 111.077 179.948 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 3.9 t -61.13 -33.85 74.05 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.187 -0.46 . . . . 70.439999999999998 110.865 -179.836 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 4.4 mp -71.3 -37.95 71.8 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.129 -0.487 . . . . 74.340000000000003 110.912 179.987 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 18' ' ' ILE . . . . . . . . . . . . . 34.3 mt -65.03 -50.04 76.65 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.199 -0.455 . . . . 71.200000000000003 111.152 179.831 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 57.4 m-80 -58.84 -26.73 64.46 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.128 -0.487 . . . . 55.329999999999998 110.848 179.969 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 20' ' ' ALA . . . . . 0.464 ' HB3' HD23 ' A' ' 22' ' ' LEU . . . -64.96 -20.04 66.28 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.168 -0.469 . . . . 22.309999999999999 111.112 179.866 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . 94.15 17.75 39.15 Favored Glycine 0 N--CA 1.451 -0.309 0 C-N-CA 120.705 -0.76 . . . . 63.299999999999997 112.534 -179.93 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 22' ' ' LEU . . . . . 0.464 HD23 ' HB3' ' A' ' 20' ' ' ALA . 4.1 mm? -74.85 141.17 44.26 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.853 0.358 . . . . 75.129999999999995 110.922 -179.919 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 19.1 p -76.81 157.68 31.38 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.218 -0.447 . . . . 71.030000000000001 111.135 179.932 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 18.3 m -51.37 -30.26 10.25 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.203 -0.453 . . . . 44.25 111.175 179.866 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . -53.28 -52.18 42.28 Favored Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 120.788 -0.72 . . . . 70.450000000000003 112.489 179.939 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 30.0 t -63.82 -26.75 68.76 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.873 0.368 . . . . 70.049999999999997 110.911 -179.754 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 27' ' ' ILE . . . . . 0.489 HG22 ' HG ' ' A' ' 31' ' ' LEU . 25.4 mm -67.82 -47.39 79.66 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 116.093 -0.503 . . . . 74.209999999999994 111.149 179.916 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 28' ' ' ILE . . . . . 0.592 HD13 HD12 ' A' ' 31' ' ' LEU . 40.2 mm -51.85 -32.99 15.25 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.172 -0.467 . . . . 72.409999999999997 111.13 179.827 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 23.1 t -60.35 -50.64 72.8 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.21 -0.45 . . . . 74.0 110.872 -179.921 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 30' ' ' ILE . . . . . . . . . . . . . 39.2 mm -77.27 -25.82 15.35 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.109 -0.496 . . . . 72.319999999999993 111.081 179.979 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 31' ' ' LEU . . . . . 0.682 ' HB3' HG21 ' A' ' 35' ' ' THR . 47.3 mt -63.77 -24.42 67.76 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.225 -0.443 . . . . 63.210000000000001 110.956 179.893 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . 128.16 -38.14 2.14 Favored Glycine 0 N--CA 1.451 -0.339 0 C-N-CA 120.704 -0.76 . . . . 41.340000000000003 112.479 179.887 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . 130.31 146.43 5.95 Favored Glycine 0 N--CA 1.452 -0.292 0 C-N-CA 120.723 -0.751 . . . . 52.409999999999997 112.475 -179.921 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 34' ' ' VAL . . . . . 0.419 ' O ' HG12 ' A' ' 34' ' ' VAL . 3.2 t 51.14 28.16 0.14 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-O 120.922 0.391 . . . . 65.310000000000002 111.116 -179.962 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 35' ' ' THR . . . . . 0.682 HG21 ' HB3' ' A' ' 31' ' ' LEU . 2.6 p -88.68 10.29 21.23 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.169 -0.469 . . . . 74.340000000000003 111.122 -179.957 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 36' ' ' VAL . . . . . . . . . . . . . 14.9 p -51.1 -29.23 7.85 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.195 -0.457 . . . . 63.32 111.126 179.93 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . -56.23 -64.64 4.21 Favored Glycine 0 N--CA 1.451 -0.325 0 C-N-CA 120.742 -0.742 . . . . 55.020000000000003 112.5 179.984 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 38' ' ' LEU . . . . . 0.615 ' O ' HG22 ' A' ' 41' ' ' VAL . 1.8 mt -66.48 -28.11 68.32 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.834 0.35 . . . . 63.439999999999998 110.901 -179.911 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -60.58 -19.97 59.15 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.156 -0.475 . . . . 64.209999999999994 110.863 -179.93 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . -51.96 -27.64 22.27 Favored Glycine 0 N--CA 1.452 -0.275 0 C-N-CA 120.713 -0.756 . . . . 64.549999999999997 112.471 -179.97 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 41' ' ' VAL . . . . . 0.728 ' O ' HG23 ' A' ' 45' ' ' VAL . 19.1 m -94.79 -21.99 5.57 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-O 120.823 0.344 . . . . 73.409999999999997 111.116 -179.962 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 42' ' ' PHE . . . . . . . . . . . . . 5.3 t80 -51.67 -42.37 62.09 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.15 -0.477 . . . . 74.140000000000001 110.892 -179.964 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -62.21 -46.33 89.39 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.149 -0.478 . . . . 73.099999999999994 111.153 -179.903 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -66.55 -34.04 77.01 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.196 -0.456 . . . . 51.229999999999997 111.061 179.888 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 45' ' ' VAL . . . . . 0.728 HG23 ' O ' ' A' ' 41' ' ' VAL . 98.9 t -63.55 -41.43 92.64 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.236 -0.438 . . . . 75.329999999999998 111.1 179.998 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 1.7 tmmm? -54.83 -39.7 68.83 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.181 -0.463 . . . . 74.409999999999997 110.915 179.921 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -62.83 -32.81 74.09 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.204 -0.453 . . . . 74.310000000000002 111.134 179.8 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -57.24 -36.37 70.86 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.175 -0.466 . . . . 61.409999999999997 111.091 179.965 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 49' ' ' ILE . . . . . . . . . . . . . 61.5 mt -56.37 -55.89 16.51 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.231 -0.44 . . . . 75.239999999999995 111.149 179.995 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -63.84 -22.44 66.92 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.184 -0.462 . . . . 73.140000000000001 111.125 179.79 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 15.1 mmmt -76.92 -61.05 2.11 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.199 -0.455 . . . . 63.240000000000002 110.907 179.956 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 52' ' ' GLN . . . . . . . . . . . . . 29.7 mm100 -110.3 -58.55 2.06 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.197 -0.456 . . . . 74.329999999999998 110.906 179.951 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . 161.54 159.04 9.79 Favored Glycine 0 N--CA 1.451 -0.342 0 C-N-CA 120.76 -0.733 . . . . 75.340000000000003 112.52 -179.97 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 54' ' ' ILE . . . . . . . . . . . . . 23.4 pt -51.6 -30.23 11.02 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-O 120.916 0.389 . . . . 71.540000000000006 111.165 -179.973 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 6.2 ptpp? -54.17 -44.63 71.65 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.136 -0.484 . . . . 73.200000000000003 110.854 179.846 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 56' ' ' LYS . . . . . 0.445 ' O ' HD23 ' A' ' 60' ' ' LEU . 11.5 mmmt -64.77 -33.21 75.44 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.254 -0.43 . . . . 73.129999999999995 110.921 179.9 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -64.53 -32.74 74.5 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.208 -0.451 . . . . 73.25 111.104 179.805 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 58' ' ' ILE . . . . . 0.518 ' O ' HG23 ' A' ' 2' ' ' VAL . 70.5 mt -63.54 -60.67 2.39 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.208 -0.451 . . . . 74.299999999999997 111.148 179.974 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 59' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -60.51 -26.43 66.85 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.181 -0.463 . . . . 55.240000000000002 110.87 179.986 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 60' ' ' LEU . . . . . 0.445 HD23 ' O ' ' A' ' 56' ' ' LYS . 0.6 OUTLIER . . . . . 0 C--N 1.328 -0.335 0 CA-C-N 116.184 -0.462 . . . . 61.219999999999999 110.971 179.992 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 1' ' ' LEU . . . . . 0.683 HD13 HG11 ' A' ' 45' ' ' VAL . 6.3 mp . . . . . 0 C--O 1.231 0.091 0 CA-C-O 120.892 0.377 . . . . 54.119999999999997 110.923 . . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 2' ' ' VAL . . . . . 0.577 HG23 ' O ' ' A' ' 58' ' ' ILE . 75.8 t -61.6 -50.7 79.21 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.153 -0.476 . . . . 44.229999999999997 111.117 179.864 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . -64.46 -29.4 70.44 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.157 -0.474 . . . . 73.510000000000005 111.069 179.94 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 4' ' ' TYR . . . . . 0.735 ' CE2' HG21 ' A' ' 41' ' ' VAL . 62.2 t80 -74.14 -51.06 16.77 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.233 -0.44 . . . . 72.230000000000004 110.948 -179.877 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . 164.21 -27.04 0.2 Allowed Glycine 0 N--CA 1.451 -0.355 0 C-N-CA 120.743 -0.741 . . . . 73.010000000000005 112.485 179.963 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 6' ' ' ILE . . . . . 0.822 HD11 HD23 ' A' ' 38' ' ' LEU . 50.8 mm -56.95 132.39 21.18 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-O 120.859 0.361 . . . . 63.520000000000003 111.114 -179.954 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 7' ' ' ALA . . . . . 0.424 ' O ' ' HB2' ' A' ' 11' ' ' ALA . . . -51.66 145.97 8.45 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.202 -0.454 . . . . 75.310000000000002 111.093 179.817 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 10.5 mt-30 -68.01 -56.92 7.17 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.21 -0.45 . . . . 55.43 110.89 -179.911 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -54.72 -41.53 75.13 Favored Glycine 0 N--CA 1.452 -0.291 0 C-N-CA 120.753 -0.737 . . . . 41.329999999999998 112.486 -179.957 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 10' ' ' THR . . . . . 0.705 ' O ' HG23 ' A' ' 14' ' ' VAL . 18.0 m -75.39 -32.83 60.91 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-O 120.792 0.33 . . . . 53.549999999999997 111.144 -179.84 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 11' ' ' ALA . . . . . 0.732 ' O ' HG23 ' A' ' 15' ' ' VAL . . . -52.22 -51.93 55.39 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.202 -0.453 . . . . 71.340000000000003 111.109 179.878 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 20.0 tt0 -52.76 -49.44 65.51 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.244 -0.434 . . . . 63.409999999999997 110.862 -179.91 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 14.3 ttmm -62.29 -45.8 91.61 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.142 -0.481 . . . . 54.399999999999999 110.948 179.935 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 14' ' ' VAL . . . . . 0.705 HG23 ' O ' ' A' ' 10' ' ' THR . 92.0 t -57.0 -35.63 48.12 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.227 -0.442 . . . . 75.200000000000003 111.141 179.858 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 15' ' ' VAL . . . . . 0.732 HG23 ' O ' ' A' ' 11' ' ' ALA . 81.4 t -55.77 -45.45 79.45 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.184 -0.462 . . . . 65.019999999999996 111.149 179.851 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 23.2 t -57.08 -35.6 69.58 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.216 -0.447 . . . . 72.400000000000006 110.883 -179.855 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 17' ' ' LEU . . . . . 0.435 ' O ' ' HB3' ' A' ' 20' ' ' ALA . 3.2 mp -65.14 -34.97 79.66 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.128 -0.487 . . . . 74.319999999999993 110.921 179.956 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 18' ' ' ILE . . . . . . . . . . . . . 17.5 mt -65.76 -50.05 73.38 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.198 -0.455 . . . . 71.040000000000006 111.115 179.882 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 3.2 t-20 -59.92 -18.87 48.29 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.153 -0.476 . . . . 64.530000000000001 110.888 179.95 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 20' ' ' ALA . . . . . 0.435 ' HB3' ' O ' ' A' ' 17' ' ' LEU . . . -64.19 -20.08 65.77 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.153 -0.476 . . . . 74.129999999999995 111.103 179.87 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . 80.17 85.9 0.61 Allowed Glycine 0 N--CA 1.451 -0.31 0 C-N-CA 120.737 -0.744 . . . . 73.120000000000005 112.479 -179.937 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 22' ' ' LEU . . . . . 0.684 HD13 ' HB3' ' A' ' 26' ' ' SER . 4.1 pp -162.22 166.77 25.05 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.857 0.361 . . . . 74.219999999999999 110.916 -179.925 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER -76.65 144.42 39.47 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.195 -0.457 . . . . 52.009999999999998 111.162 179.907 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 24' ' ' VAL . . . . . 0.507 HG22 ' HD2' ' A' ' 42' ' ' PHE . 35.4 t -51.49 -29.92 10.23 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.212 -0.449 . . . . 72.109999999999999 111.125 179.915 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . -53.0 -34.2 45.86 Favored Glycine 0 N--CA 1.451 -0.303 0 C-N-CA 120.749 -0.739 . . . . 73.519999999999996 112.507 179.985 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 26' ' ' SER . . . . . 0.684 ' HB3' HD13 ' A' ' 22' ' ' LEU . 1.2 t -63.32 -26.91 68.98 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.895 0.379 . . . . 63.009999999999998 110.875 -179.742 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 28.9 mm -66.31 -45.52 89.47 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.112 -0.495 . . . . 73.219999999999999 111.155 179.951 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 28' ' ' ILE . . . . . 0.648 HG23 ' OG1' ' A' ' 35' ' ' THR . 30.8 mt -60.42 -38.65 78.58 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.164 -0.471 . . . . 75.239999999999995 111.132 179.845 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 5.0 t -55.83 -33.58 64.61 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.128 -0.487 . . . . 45.340000000000003 110.841 -179.886 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 30' ' ' ILE . . . . . . . . . . . . . 22.0 mt -77.39 -60.99 1.86 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.136 -0.484 . . . . 65.219999999999999 111.124 179.969 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 31' ' ' LEU . . . . . 1.038 HD13 HG21 ' A' ' 35' ' ' THR . 3.2 mt -51.87 -42.12 62.4 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.223 -0.444 . . . . 65.209999999999994 110.922 179.865 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . 51.99 57.84 11.96 Favored Glycine 0 N--CA 1.451 -0.303 0 C-N-CA 120.714 -0.755 . . . . 74.430000000000007 112.474 179.93 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -159.69 54.9 0.35 Allowed Glycine 0 N--CA 1.451 -0.32 0 C-N-CA 120.689 -0.767 . . . . 65.540000000000006 112.47 -179.924 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 34' ' ' VAL . . . . . . . . . . . . . 10.1 t 49.52 52.56 0.39 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-O 120.899 0.38 . . . . 74.340000000000003 111.136 -179.978 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 35' ' ' THR . . . . . 1.038 HG21 HD13 ' A' ' 31' ' ' LEU . 0.0 OUTLIER -87.53 8.65 24.04 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.186 -0.461 . . . . 60.200000000000003 111.141 -179.945 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 36' ' ' VAL . . . . . . . . . . . . . 6.6 m -55.41 -24.98 16.63 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.204 -0.453 . . . . 63.539999999999999 111.119 179.923 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . -75.45 -44.64 21.05 Favored Glycine 0 N--CA 1.452 -0.275 0 C-N-CA 120.734 -0.746 . . . . 71.450000000000003 112.457 179.995 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 38' ' ' LEU . . . . . 0.822 HD23 HD11 ' A' ' 6' ' ' ILE . 8.6 mp -66.21 -22.08 66.33 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-O 120.783 0.325 . . . . 64.409999999999997 110.89 -179.9 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -54.79 -28.76 51.52 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.19 -0.459 . . . . 73.540000000000006 110.81 -179.886 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . -78.01 -21.92 69.87 Favored Glycine 0 N--CA 1.451 -0.366 0 C-N-CA 120.765 -0.731 . . . . 73.030000000000001 112.495 -179.975 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 41' ' ' VAL . . . . . 0.735 HG21 ' CE2' ' A' ' 4' ' ' TYR . 87.6 t -93.38 -26.04 4.77 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-O 120.822 0.344 . . . . 75.329999999999998 111.157 -179.988 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 42' ' ' PHE . . . . . 0.507 ' HD2' HG22 ' A' ' 24' ' ' VAL . 2.9 t80 -58.1 -50.88 71.96 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.174 -0.466 . . . . 75.530000000000001 110.851 -179.965 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -57.3 -44.77 84.38 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.141 -0.481 . . . . 72.319999999999993 111.172 -179.9 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -58.82 -40.41 84.09 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.163 -0.472 . . . . 31.41 111.093 179.863 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 45' ' ' VAL . . . . . 0.683 HG11 HD13 ' A' ' 1' ' ' LEU . 87.7 t -70.79 -44.05 76.59 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.185 -0.461 . . . . 53.450000000000003 111.121 -179.993 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -52.66 -51.58 59.5 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.131 -0.486 . . . . 74.200000000000003 110.904 179.906 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -55.67 -37.26 68.05 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.189 -0.46 . . . . 75.400000000000006 111.112 179.841 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -57.54 -29.08 64.09 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.181 -0.463 . . . . 72.420000000000002 111.092 179.921 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 49' ' ' ILE . . . . . . . . . . . . . 68.6 mt -56.44 -55.0 21.52 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.2 -0.455 . . . . 64.299999999999997 111.121 -179.964 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -65.36 -23.65 67.04 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.219 -0.446 . . . . 72.430000000000007 111.088 179.814 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER -76.94 -41.01 45.05 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.206 -0.452 . . . . 62.0 110.855 179.992 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 52' ' ' GLN . . . . . . . . . . . . . 22.3 mm100 -123.7 -69.5 0.81 Allowed 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.241 -0.436 . . . . 65.25 110.922 180.0 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . 167.75 156.62 10.19 Favored Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 120.699 -0.762 . . . . 64.409999999999997 112.453 -179.969 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 54' ' ' ILE . . . . . . . . . . . . . 17.0 pt -51.7 -35.26 17.25 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-O 120.924 0.392 . . . . 70.420000000000002 111.151 179.985 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 21.8 pttm -56.94 -44.93 83.0 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.17 -0.468 . . . . 71.140000000000001 110.882 179.847 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 16.7 tppt? -66.41 -33.68 76.25 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.247 -0.433 . . . . 55.299999999999997 110.911 179.872 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -55.43 -36.13 66.15 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.221 -0.445 . . . . 70.230000000000004 111.141 179.794 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 58' ' ' ILE . . . . . 0.577 ' O ' HG23 ' A' ' 2' ' ' VAL . 74.5 mt -59.95 -53.29 50.55 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.205 -0.452 . . . . 71.239999999999995 111.189 179.975 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 59' ' ' GLN . . . . . . . . . . . . . 31.5 mt-30 -55.23 -32.82 62.59 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.149 -0.478 . . . . 73.400000000000006 110.96 179.883 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 C--N 1.328 -0.368 0 CA-C-N 116.211 -0.449 . . . . 64.329999999999998 110.936 179.983 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 1' ' ' LEU . . . . . 0.573 HD13 HG11 ' A' ' 45' ' ' VAL . 6.9 mp . . . . . 0 C--O 1.231 0.114 0 CA-C-O 120.892 0.377 . . . . 72.040000000000006 110.947 . . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 2' ' ' VAL . . . . . 0.592 HG23 ' O ' ' A' ' 58' ' ' ILE . 58.4 t -61.82 -50.94 78.16 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.21 -0.45 . . . . 70.099999999999994 111.086 179.892 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . -64.57 -28.99 70.01 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.215 -0.448 . . . . 52.049999999999997 111.081 179.871 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 4' ' ' TYR . . . . . 0.415 ' CE2' HD13 ' A' ' 38' ' ' LEU . 62.9 t80 -74.11 -51.07 16.8 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.227 -0.442 . . . . 73.439999999999998 110.933 -179.817 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . 164.8 -27.55 0.2 Allowed Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 120.729 -0.748 . . . . 65.510000000000005 112.46 179.951 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 6' ' ' ILE . . . . . 0.66 HD11 ' HG ' ' A' ' 38' ' ' LEU . 49.8 mm -56.86 126.67 14.76 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-O 120.84 0.352 . . . . 54.32 111.116 -179.916 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -51.47 132.97 30.16 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.14 -0.482 . . . . 71.510000000000005 111.088 179.833 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 15.5 pt20 -63.35 -43.08 98.72 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.239 -0.437 . . . . 63.399999999999999 110.874 -179.923 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -54.17 -48.76 62.29 Favored Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 120.731 -0.747 . . . . 51.299999999999997 112.521 -179.991 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 10' ' ' THR . . . . . 0.711 ' O ' HG23 ' A' ' 14' ' ' VAL . 95.4 m -77.05 -31.19 56.01 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-O 120.828 0.347 . . . . 72.109999999999999 111.14 -179.855 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 11' ' ' ALA . . . . . 0.743 ' O ' HG23 ' A' ' 15' ' ' VAL . . . -51.43 -30.92 21.12 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.211 -0.45 . . . . 51.299999999999997 111.073 179.872 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 49.2 mt-10 -58.45 -57.07 14.54 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.222 -0.444 . . . . 60.439999999999998 110.917 -179.93 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 9.5 ptmm? -68.39 -33.93 75.13 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.122 -0.49 . . . . 72.409999999999997 110.875 179.975 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 14' ' ' VAL . . . . . 0.711 HG23 ' O ' ' A' ' 10' ' ' THR . 89.6 t -56.92 -41.1 75.98 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.222 -0.445 . . . . 75.340000000000003 111.115 179.888 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 15' ' ' VAL . . . . . 0.743 HG23 ' O ' ' A' ' 11' ' ' ALA . 94.6 t -56.65 -40.13 67.5 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.25 0 CA-C-N 116.16 -0.473 . . . . 72.140000000000001 111.155 179.924 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 32.9 t -60.14 -37.51 80.31 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.185 -0.461 . . . . 75.120000000000005 110.852 -179.817 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 17' ' ' LEU . . . . . 0.828 HD23 HD13 ' A' ' 30' ' ' ILE . 4.2 mp -64.84 -38.01 89.55 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.11 -0.495 . . . . 61.140000000000001 110.906 -179.997 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 18' ' ' ILE . . . . . . . . . . . . . 31.8 mt -65.21 -50.11 75.48 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.347 0 CA-C-N 116.194 -0.457 . . . . 74.030000000000001 111.112 179.831 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 13.6 t-20 -58.79 -26.3 63.95 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.166 -0.47 . . . . 64.329999999999998 110.914 179.957 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -65.01 -20.09 66.33 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.171 -0.468 . . . . 61.32 111.075 179.841 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . 94.77 18.57 34.45 Favored Glycine 0 N--CA 1.45 -0.377 0 C-N-CA 120.749 -0.739 . . . . 64.430000000000007 112.524 -179.933 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 25.9 mt -70.84 156.7 39.24 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.893 0.377 . . . . 72.530000000000001 110.888 -179.896 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 26.7 p -84.34 147.52 27.14 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.196 -0.456 . . . . 65.319999999999993 111.111 179.945 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 24' ' ' VAL . . . . . 0.419 HG21 ' O ' ' A' ' 39' ' ' SER . 6.4 p -51.34 -38.48 20.0 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.326 0 CA-C-N 116.204 -0.453 . . . . 64.510000000000005 111.136 179.888 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . -65.8 -33.92 87.24 Favored Glycine 0 N--CA 1.452 -0.298 0 C-N-CA 120.713 -0.756 . . . . 41.539999999999999 112.484 179.951 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 44.8 t -64.68 -26.89 68.57 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.819 0.342 . . . . 61.43 110.832 -179.722 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 27' ' ' ILE . . . . . 0.813 ' HA ' HD12 ' A' ' 30' ' ' ILE . 42.2 mm -60.18 -46.69 94.26 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.169 -0.469 . . . . 62.130000000000003 111.147 179.963 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 28' ' ' ILE . . . . . 0.67 HG23 ' OG1' ' A' ' 35' ' ' THR . 70.7 mt -60.46 -40.61 84.77 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.19 -0.459 . . . . 73.329999999999998 111.182 179.844 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 3.0 m -63.5 -32.19 73.57 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.155 -0.475 . . . . 64.209999999999994 110.843 -179.943 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 30' ' ' ILE . . . . . 0.828 HD13 HD23 ' A' ' 17' ' ' LEU . 13.2 mt -70.29 -60.98 1.88 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.346 0 CA-C-N 116.159 -0.473 . . . . 73.340000000000003 111.155 179.964 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 7.0 mt -60.84 -42.22 97.37 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.172 -0.467 . . . . 72.299999999999997 110.967 179.831 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . 51.52 34.34 34.77 Favored Glycine 0 N--CA 1.451 -0.345 0 C-N-CA 120.778 -0.725 . . . . 71.200000000000003 112.488 179.904 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -127.83 60.63 0.66 Allowed Glycine 0 N--CA 1.452 -0.292 0 C-N-CA 120.728 -0.749 . . . . 75.219999999999999 112.484 -179.902 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 34' ' ' VAL . . . . . . . . . . . . . 12.4 t 49.41 55.98 0.35 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-O 120.876 0.37 . . . . 70.209999999999994 111.116 -179.953 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 35' ' ' THR . . . . . 0.67 ' OG1' HG23 ' A' ' 28' ' ' ILE . 0.1 OUTLIER -86.92 7.36 27.7 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.179 -0.464 . . . . 71.450000000000003 111.183 179.978 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 36' ' ' VAL . . . . . 0.417 HG23 ' O ' ' A' ' 36' ' ' VAL . 4.7 m -55.1 100.45 0.05 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.205 -0.452 . . . . 74.219999999999999 111.121 179.898 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 139.59 -42.75 1.2 Allowed Glycine 0 N--CA 1.451 -0.316 0 C-N-CA 120.774 -0.727 . . . . 54.240000000000002 112.506 179.989 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 38' ' ' LEU . . . . . 0.66 ' HG ' HD11 ' A' ' 6' ' ' ILE . 4.5 mm? -66.24 -17.49 64.77 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-O 120.784 0.326 . . . . 72.340000000000003 110.893 -179.923 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 39' ' ' SER . . . . . 0.419 ' O ' HG21 ' A' ' 24' ' ' VAL . 3.0 p -69.96 -38.0 75.98 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.177 -0.465 . . . . 44.049999999999997 110.825 -179.915 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . -67.5 -19.1 70.52 Favored Glycine 0 N--CA 1.45 -0.372 0 C-N-CA 120.773 -0.727 . . . . 44.200000000000003 112.509 -179.95 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 41' ' ' VAL . . . . . . . . . . . . . 6.3 p -105.06 -24.44 4.03 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-O 120.864 0.364 . . . . 73.120000000000005 111.12 -179.975 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 42' ' ' PHE . . . . . . . . . . . . . 3.3 t80 -52.42 -51.09 60.98 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.138 -0.483 . . . . 73.219999999999999 110.915 -179.987 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -54.08 -43.12 70.05 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.191 -0.459 . . . . 71.140000000000001 111.115 -179.952 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -60.36 -43.04 96.9 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.232 -0.44 . . . . 75.340000000000003 111.127 179.89 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 45' ' ' VAL . . . . . 0.573 HG11 HD13 ' A' ' 1' ' ' LEU . 75.7 t -70.9 -40.67 76.74 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.243 -0.435 . . . . 60.119999999999997 111.097 179.968 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 34.2 tttp -54.06 -53.02 58.89 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.188 -0.46 . . . . 61.140000000000001 110.921 179.912 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -60.88 -30.11 69.96 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.188 -0.46 . . . . 54.030000000000001 111.106 179.847 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 48' ' ' ALA . . . . . 0.463 ' HB3' ' O ' ' A' ' 45' ' ' VAL . . . -58.1 -28.33 64.52 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.213 -0.449 . . . . 54.049999999999997 111.117 179.928 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 49' ' ' ILE . . . . . . . . . . . . . 62.8 mt -56.4 -55.88 16.66 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.363 0 CA-C-N 116.264 -0.425 . . . . 62.439999999999998 111.105 179.988 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -65.25 -24.27 67.28 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.122 -0.49 . . . . 63.420000000000002 111.089 179.793 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 99.5 mttt -76.88 -35.58 57.32 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.227 -0.442 . . . . 73.310000000000002 110.919 179.973 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 52' ' ' GLN . . . . . . . . . . . . . 37.5 mt-30 -130.65 -71.39 0.59 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.237 -0.438 . . . . 71.150000000000006 110.911 -179.968 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . 170.76 155.92 10.94 Favored Glycine 0 N--CA 1.451 -0.342 0 C-N-CA 120.7 -0.762 . . . . 63.399999999999999 112.467 -179.99 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 54' ' ' ILE . . . . . . . . . . . . . 53.4 mt -53.93 -41.95 51.52 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-O 120.911 0.386 . . . . 71.540000000000006 111.111 -179.977 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 8.9 ptpt -52.75 -45.41 67.03 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.164 -0.471 . . . . 63.340000000000003 110.915 179.845 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 18.8 mttm -66.19 -34.07 77.21 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.168 -0.469 . . . . 74.239999999999995 110.904 179.881 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -55.92 -37.43 68.91 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.24 -0.436 . . . . 51.229999999999997 111.077 179.841 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 58' ' ' ILE . . . . . 0.592 ' O ' HG23 ' A' ' 2' ' ' VAL . 67.4 mt -58.43 -50.62 78.09 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.254 -0.43 . . . . 74.540000000000006 111.166 179.958 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 59' ' ' GLN . . . . . . . . . . . . . 57.7 mt-30 -56.61 -30.78 63.63 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.207 -0.451 . . . . 75.040000000000006 110.912 179.926 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 C--N 1.329 -0.318 0 CA-C-N 116.208 -0.451 . . . . 75.549999999999997 110.916 179.997 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 1' ' ' LEU . . . . . 0.454 HD23 HG13 ' A' ' 6' ' ' ILE . 6.4 mt . . . . . 0 C--O 1.231 0.081 0 CA-C-O 120.891 0.377 . . . . 64.200000000000003 110.932 . . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 2' ' ' VAL . . . . . 0.439 HG22 ' HA ' ' A' ' 8' ' ' GLN . 82.4 t -63.31 -49.3 83.51 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.266 0 CA-C-N 116.187 -0.46 . . . . 64.319999999999993 111.135 179.825 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . -64.23 -29.78 70.86 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.165 -0.471 . . . . 55.130000000000003 111.113 179.915 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 4' ' ' TYR . . . . . . . . . . . . . 0.5 OUTLIER -73.86 -48.21 32.78 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.197 -0.456 . . . . 73.200000000000003 110.929 -179.893 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . 160.02 -27.65 0.34 Allowed Glycine 0 N--CA 1.452 -0.299 0 C-N-CA 120.694 -0.765 . . . . 74.129999999999995 112.459 179.974 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 6' ' ' ILE . . . . . 0.465 HD11 HD13 ' A' ' 38' ' ' LEU . 50.4 mm -57.24 132.51 21.64 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-O 120.874 0.369 . . . . 63.32 111.127 -179.955 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -51.61 139.71 20.09 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.181 -0.463 . . . . 65.129999999999995 111.09 179.825 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 8' ' ' GLN . . . . . 0.439 ' HA ' HG22 ' A' ' 2' ' ' VAL . 6.1 pt20 -67.87 -42.63 81.0 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.248 -0.433 . . . . 72.030000000000001 110.91 -179.955 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -56.38 -51.06 58.61 Favored Glycine 0 N--CA 1.452 -0.27 0 C-N-CA 120.735 -0.745 . . . . 51.5 112.485 -179.984 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 10' ' ' THR . . . . . 0.699 ' O ' HG23 ' A' ' 14' ' ' VAL . 93.5 m -74.6 -31.68 62.11 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.804 0.335 . . . . 55.409999999999997 111.141 -179.841 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 11' ' ' ALA . . . . . 0.757 ' O ' HG23 ' A' ' 15' ' ' VAL . . . -51.76 -47.2 64.22 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.203 -0.453 . . . . 71.310000000000002 111.131 179.841 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 34.0 mt-10 -54.37 -49.98 68.57 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.21 -0.45 . . . . 74.530000000000001 110.84 -179.88 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 8.6 ttmm -64.9 -43.61 92.27 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.126 -0.488 . . . . 54.140000000000001 110.897 179.971 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 14' ' ' VAL . . . . . 0.699 HG23 ' O ' ' A' ' 10' ' ' THR . 91.7 t -56.29 -35.06 41.64 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.226 -0.443 . . . . 73.430000000000007 111.117 179.874 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 15' ' ' VAL . . . . . 0.757 HG23 ' O ' ' A' ' 11' ' ' ALA . 95.4 t -55.57 -31.04 27.6 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.171 -0.468 . . . . 74.310000000000002 111.132 179.944 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 2.0 t -59.47 -42.09 91.25 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.167 -0.469 . . . . 60.219999999999999 110.885 -179.877 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 3.8 mm? -71.29 -39.74 71.32 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.112 -0.494 . . . . 55.229999999999997 110.91 -179.993 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 18' ' ' ILE . . . . . . . . . . . . . 35.5 mt -65.07 -48.38 84.1 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.201 -0.454 . . . . 63.0 111.121 179.87 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 57.9 t30 -58.68 -27.91 65.26 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.163 -0.472 . . . . 42.009999999999998 110.877 179.929 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -64.98 -20.12 66.33 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.21 -0.45 . . . . 50.509999999999998 111.062 179.881 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . 96.01 13.49 49.34 Favored Glycine 0 N--CA 1.45 -0.373 0 C-N-CA 120.743 -0.742 . . . . 25.100000000000001 112.498 -179.925 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 22' ' ' LEU . . . . . 0.693 HD12 ' CB ' ' A' ' 26' ' ' SER . 4.0 mm? -74.9 137.5 41.77 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-O 120.843 0.354 . . . . 41.520000000000003 110.938 -179.926 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 53.6 p -76.85 167.92 20.99 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.211 -0.45 . . . . 70.319999999999993 111.141 179.966 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 24' ' ' VAL . . . . . 0.554 HG21 ' HB2' ' A' ' 39' ' ' SER . 10.7 p -51.35 -30.16 10.07 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.239 -0.437 . . . . 63.130000000000003 111.135 179.921 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . -53.82 -52.05 45.14 Favored Glycine 0 N--CA 1.451 -0.337 0 C-N-CA 120.767 -0.73 . . . . 72.299999999999997 112.485 179.967 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 26' ' ' SER . . . . . 0.693 ' CB ' HD12 ' A' ' 22' ' ' LEU . 2.1 t -65.58 -26.93 68.08 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.898 0.38 . . . . 73.519999999999996 110.87 -179.732 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 27' ' ' ILE . . . . . 0.575 HG22 HD23 ' A' ' 31' ' ' LEU . 26.2 mm -67.39 -50.51 61.59 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.135 -0.484 . . . . 74.25 111.147 179.93 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 28' ' ' ILE . . . . . 0.787 HG23 HG23 ' A' ' 35' ' ' THR . 50.4 mm -53.59 -37.6 31.51 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.174 -0.466 . . . . 71.409999999999997 111.126 179.87 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 71.1 m -63.41 -36.54 84.07 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.19 -0.459 . . . . 74.120000000000005 110.917 -179.947 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 30' ' ' ILE . . . . . . . . . . . . . 43.7 mm -77.61 -36.6 23.26 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.1 -0.5 . . . . 65.230000000000004 111.102 179.97 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 31' ' ' LEU . . . . . 0.575 HD23 HG22 ' A' ' 27' ' ' ILE . 3.8 mm? -51.97 -42.29 62.8 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.165 -0.471 . . . . 62.119999999999997 110.902 179.898 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . 51.67 58.04 11.05 Favored Glycine 0 N--CA 1.451 -0.333 0 C-N-CA 120.724 -0.75 . . . . 74.120000000000005 112.516 179.906 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -179.39 -159.15 22.94 Favored Glycine 0 N--CA 1.451 -0.352 0 C-N-CA 120.747 -0.739 . . . . 50.350000000000001 112.499 -179.88 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 34' ' ' VAL . . . . . . . . . . . . . 12.5 t -78.43 56.25 0.09 OUTLIER 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-O 120.901 0.381 . . . . 55.420000000000002 111.134 179.953 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 35' ' ' THR . . . . . 0.787 HG23 HG23 ' A' ' 28' ' ' ILE . 5.0 t -89.0 10.3 22.03 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.187 -0.46 . . . . 74.129999999999995 111.133 179.999 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 36' ' ' VAL . . . . . . . . . . . . . 17.3 t -75.91 60.53 0.11 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.243 -0.435 . . . . 74.120000000000005 111.12 179.916 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 165.83 -36.74 0.26 Allowed Glycine 0 N--CA 1.452 -0.296 0 C-N-CA 120.733 -0.746 . . . . 63.219999999999999 112.526 179.97 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 38' ' ' LEU . . . . . 0.614 ' O ' HG22 ' A' ' 41' ' ' VAL . 0.4 OUTLIER -66.67 -24.83 66.33 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.812 0.339 . . . . 53.130000000000003 110.905 -179.914 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 39' ' ' SER . . . . . 0.554 ' HB2' HG21 ' A' ' 24' ' ' VAL . 0.9 OUTLIER -60.21 -20.01 56.83 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.187 -0.46 . . . . 73.0 110.866 -179.944 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . -51.77 -27.81 21.26 Favored Glycine 0 N--CA 1.45 -0.376 0 C-N-CA 120.761 -0.733 . . . . 64.140000000000001 112.519 -179.969 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 41' ' ' VAL . . . . . 0.711 ' O ' HG23 ' A' ' 45' ' ' VAL . 18.9 m -94.16 -24.1 5.08 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-O 120.885 0.374 . . . . 73.340000000000003 111.161 -179.982 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 42' ' ' PHE . . . . . . . . . . . . . 2.4 t80 -56.27 -51.85 66.64 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.15 -0.477 . . . . 73.299999999999997 110.891 -179.995 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 17.2 m -54.0 -43.33 69.95 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.138 -0.483 . . . . 75.439999999999998 111.127 -179.929 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -66.62 -34.49 77.99 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.246 -0.434 . . . . 44.520000000000003 111.054 179.904 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 45' ' ' VAL . . . . . 0.711 HG23 ' O ' ' A' ' 41' ' ' VAL . 95.7 t -70.77 -52.18 30.42 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.241 -0.436 . . . . 72.400000000000006 111.106 -179.988 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 5.7 ptmm? -58.06 -36.08 72.29 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.186 -0.461 . . . . 71.400000000000006 110.882 179.953 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -63.45 -40.08 96.17 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.24 -0.436 . . . . 65.120000000000005 111.059 179.84 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -60.53 -27.18 67.44 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.202 -0.454 . . . . 30.109999999999999 111.087 179.973 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 49' ' ' ILE . . . . . . . . . . . . . 62.4 mt -56.44 -55.98 16.19 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.232 -0.44 . . . . 64.230000000000004 111.102 -179.993 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -61.93 -23.6 66.46 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.161 -0.472 . . . . 70.25 111.121 179.827 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 10.6 mtmt -76.98 -60.97 2.14 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.189 -0.46 . . . . 74.540000000000006 110.919 179.954 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 52' ' ' GLN . . . . . . . . . . . . . 2.6 mt-30 -104.89 -67.63 0.9 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.209 -0.451 . . . . 74.129999999999995 110.934 179.925 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . 169.71 157.35 11.97 Favored Glycine 0 N--CA 1.451 -0.341 0 C-N-CA 120.726 -0.749 . . . . 63.310000000000002 112.482 -179.986 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 54' ' ' ILE . . . . . . . . . . . . . 34.7 pt -51.63 -30.08 10.93 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-O 120.973 0.416 . . . . 74.400000000000006 111.185 179.986 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 4.4 ptpt -56.33 -42.78 78.24 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.133 -0.485 . . . . 75.150000000000006 110.917 179.845 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -66.2 -31.54 72.43 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.191 -0.459 . . . . 72.430000000000007 110.927 179.832 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -58.0 -37.15 73.75 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.268 -0.424 . . . . 55.310000000000002 111.121 179.796 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 58' ' ' ILE . . . . . 0.401 ' O ' HG23 ' A' ' 2' ' ' VAL . 62.4 mt -56.73 -60.04 2.39 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.151 -0.477 . . . . 72.530000000000001 111.162 179.944 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 59' ' ' GLN . . . . . . . . . . . . . 9.8 pt20 -60.23 -27.58 67.32 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.16 -0.473 . . . . 71.430000000000007 110.931 179.954 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 60' ' ' LEU . . . . . 0.549 HD13 ' HA ' ' A' ' 45' ' ' VAL . 1.0 OUTLIER . . . . . 0 C--N 1.328 -0.354 0 CA-C-N 116.189 -0.46 . . . . 75.010000000000005 110.886 -179.97 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 1' ' ' LEU . . . . . 0.549 ' HG ' HG11 ' A' ' 45' ' ' VAL . 43.0 mt . . . . . 0 C--O 1.231 0.117 0 CA-C-O 120.871 0.367 . . . . 74.239999999999995 110.886 . . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 2' ' ' VAL . . . . . 0.496 HG23 ' O ' ' A' ' 58' ' ' ILE . 95.3 t -62.98 -49.89 81.76 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.206 -0.452 . . . . 71.120000000000005 111.096 179.86 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . -64.19 -31.83 73.18 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.212 -0.449 . . . . 74.030000000000001 111.076 179.899 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 4' ' ' TYR . . . . . 0.634 ' CE2' HD22 ' A' ' 60' ' ' LEU . 1.6 m-85 -74.25 -51.1 16.35 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.255 -0.429 . . . . 72.409999999999997 110.943 -179.872 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . 161.37 56.1 0.02 OUTLIER Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.708 -0.758 . . . . 64.239999999999995 112.505 179.991 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 6' ' ' ILE . . . . . 0.436 HG13 HD22 ' A' ' 1' ' ' LEU . 40.4 mm -135.61 142.05 40.47 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-O 120.811 0.339 . . . . 71.040000000000006 111.126 -179.945 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 7' ' ' ALA . . . . . 0.815 ' HB3' ' HB ' ' A' ' 10' ' ' THR . . . -51.75 150.22 4.16 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.174 -0.467 . . . . 63.329999999999998 111.082 179.806 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 32.8 tt0 -68.02 -57.04 6.8 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.223 -0.444 . . . . 72.299999999999997 110.94 -179.935 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -68.56 -35.97 82.36 Favored Glycine 0 N--CA 1.451 -0.301 0 C-N-CA 120.726 -0.75 . . . . 72.340000000000003 112.495 179.99 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 10' ' ' THR . . . . . 0.815 ' HB ' ' HB3' ' A' ' 7' ' ' ALA . 29.4 m -74.15 -25.6 59.84 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 120.771 0.319 . . . . 70.340000000000003 111.148 -179.85 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 11' ' ' ALA . . . . . 0.612 ' O ' HG23 ' A' ' 15' ' ' VAL . . . -50.73 -37.55 42.37 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.176 -0.466 . . . . 74.120000000000005 111.133 179.838 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 3.2 tt0 -71.62 -35.24 70.4 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.189 -0.46 . . . . 63.140000000000001 110.914 -179.943 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 35.9 mttm -69.27 -54.32 15.29 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.141 -0.481 . . . . 74.420000000000002 110.897 179.974 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 14' ' ' VAL . . . . . 0.42 HG13 ' N ' ' A' ' 15' ' ' VAL . 4.0 p -52.51 -44.01 43.65 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.24 -0.436 . . . . 72.209999999999994 111.127 179.866 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 15' ' ' VAL . . . . . 0.612 HG23 ' O ' ' A' ' 11' ' ' ALA . 59.1 t -59.57 -46.02 93.47 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.139 -0.482 . . . . 64.200000000000003 111.129 179.923 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 15.0 m -54.49 -32.83 58.69 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.185 -0.462 . . . . 75.030000000000001 110.864 -179.805 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 17' ' ' LEU . . . . . 0.634 HD22 HD22 ' A' ' 22' ' ' LEU . 1.3 mt -71.58 -27.69 63.31 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.133 -0.485 . . . . 63.399999999999999 110.918 179.997 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 18' ' ' ILE . . . . . . . . . . . . . 16.0 mt -65.23 -49.36 79.43 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.165 -0.471 . . . . 75.310000000000002 111.116 179.858 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 22.5 t30 -58.66 -22.02 55.78 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.163 -0.471 . . . . 71.239999999999995 110.916 179.922 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 20' ' ' ALA . . . . . 0.401 ' HB3' ' O ' ' A' ' 17' ' ' LEU . . . -64.86 -20.0 66.18 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.199 -0.455 . . . . 74.430000000000007 111.066 179.892 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . 90.37 12.75 60.97 Favored Glycine 0 N--CA 1.451 -0.307 0 C-N-CA 120.722 -0.751 . . . . 62.509999999999998 112.508 -179.941 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 22' ' ' LEU . . . . . 0.634 HD22 HD22 ' A' ' 17' ' ' LEU . 6.7 mp -74.94 154.42 38.15 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-O 120.925 0.393 . . . . 74.439999999999998 110.923 -179.943 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 1.5 p -77.71 142.33 38.82 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.188 -0.46 . . . . 62.530000000000001 111.1 179.973 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 24' ' ' VAL . . . . . 0.468 HG22 ' HD2' ' A' ' 42' ' ' PHE . 42.7 t -51.41 -30.23 10.37 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.192 -0.458 . . . . 64.430000000000007 111.128 179.875 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . -57.04 -39.11 89.12 Favored Glycine 0 N--CA 1.452 -0.291 0 C-N-CA 120.746 -0.74 . . . . 54.43 112.452 179.992 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 2.6 t -64.89 -26.88 68.51 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.89 0.376 . . . . 65.340000000000003 110.895 -179.76 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 35.3 mm -60.26 -41.82 88.34 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.095 -0.502 . . . . 73.310000000000002 111.101 179.996 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 28' ' ' ILE . . . . . . . . . . . . . 63.8 mt -57.08 -42.72 79.99 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.187 -0.46 . . . . 65.340000000000003 111.14 179.861 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 70.5 m -56.26 -30.85 62.97 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.145 -0.479 . . . . 72.430000000000007 110.866 -179.954 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 30' ' ' ILE . . . . . . . . . . . . . 46.0 mm -69.91 -60.12 2.8 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.152 -0.476 . . . . 73.120000000000005 111.147 179.929 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 3.7 mm? -56.98 -41.68 78.81 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.163 -0.471 . . . . 73.420000000000002 110.915 179.905 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . 53.91 38.22 59.57 Favored Glycine 0 N--CA 1.451 -0.341 0 C-N-CA 120.755 -0.736 . . . . 41.009999999999998 112.496 179.891 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -148.72 69.26 0.34 Allowed Glycine 0 N--CA 1.451 -0.334 0 C-N-CA 120.747 -0.739 . . . . 75.200000000000003 112.498 -179.933 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 34' ' ' VAL . . . . . . . . . . . . . 7.7 t 49.55 50.17 0.41 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-O 120.893 0.378 . . . . 74.049999999999997 111.126 -179.975 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 35' ' ' THR . . . . . 0.513 HG22 ' HB2' ' A' ' 38' ' ' LEU . 0.1 OUTLIER -86.94 6.82 30.19 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.156 -0.475 . . . . 73.25 111.115 -179.963 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 36' ' ' VAL . . . . . . . . . . . . . 55.0 t -59.94 -22.04 23.22 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.248 -0.433 . . . . 74.340000000000003 111.139 179.944 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . -87.92 -31.67 14.47 Favored Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 120.73 -0.748 . . . . 61.140000000000001 112.5 179.97 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 38' ' ' LEU . . . . . 0.513 ' HB2' HG22 ' A' ' 35' ' ' THR . 4.4 mm? -66.05 -24.92 66.82 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-O 120.812 0.339 . . . . 74.049999999999997 110.914 -179.897 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 1.4 m -52.1 -48.69 64.63 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.172 -0.467 . . . . 74.040000000000006 110.851 -179.959 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . -59.2 -19.31 45.57 Favored Glycine 0 N--CA 1.451 -0.333 0 C-N-CA 120.741 -0.742 . . . . 72.099999999999994 112.485 -179.996 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 41' ' ' VAL . . . . . . . . . . . . . 89.5 t -94.51 -39.47 10.33 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-O 120.837 0.351 . . . . 73.439999999999998 111.15 179.998 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 42' ' ' PHE . . . . . 0.468 ' HD2' HG22 ' A' ' 24' ' ' VAL . 3.2 t80 -51.94 -51.36 57.63 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.144 -0.48 . . . . 71.439999999999998 110.903 -179.959 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 4.6 t -54.02 -40.4 66.99 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.104 -0.498 . . . . 73.109999999999999 111.163 -179.939 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -64.22 -33.63 76.24 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.25 -0.432 . . . . 62.149999999999999 111.06 179.878 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 45' ' ' VAL . . . . . 0.549 HG11 ' HG ' ' A' ' 1' ' ' LEU . 96.2 t -70.87 -49.15 52.37 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.247 -0.433 . . . . 34.420000000000002 111.123 179.976 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 46' ' ' LYS . . . . . 0.671 ' HD2' HD12 ' A' ' 49' ' ' ILE . 17.9 tptt -56.81 -46.7 81.45 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.179 -0.464 . . . . 70.310000000000002 110.899 179.925 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -60.09 -37.26 79.43 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.194 -0.457 . . . . 63.229999999999997 111.091 179.824 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -60.25 -25.27 65.55 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.251 -0.431 . . . . 74.430000000000007 111.127 179.928 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 49' ' ' ILE . . . . . 0.671 HD12 ' HD2' ' A' ' 46' ' ' LYS . 62.3 mt -56.36 -55.98 15.99 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.184 -0.462 . . . . 74.140000000000001 111.09 179.992 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -61.71 -23.59 66.22 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.181 -0.463 . . . . 70.349999999999994 111.133 179.83 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 1.8 mptp? -77.0 -55.01 5.83 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.165 -0.471 . . . . 74.329999999999998 110.892 179.984 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 52' ' ' GLN . . . . . . . . . . . . . 12.8 mp0 -111.17 -70.33 0.82 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.251 -0.431 . . . . 65.209999999999994 110.953 179.912 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . 171.19 155.94 11.17 Favored Glycine 0 N--CA 1.452 -0.287 0 C-N-CA 120.67 -0.776 . . . . 73.200000000000003 112.432 -179.998 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 54' ' ' ILE . . . . . 0.404 ' O ' ' HB3' ' A' ' 57' ' ' ALA . 22.4 pt -51.68 -32.6 14.24 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-O 120.874 0.368 . . . . 62.439999999999998 111.125 -179.981 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 15.7 pttm -53.98 -45.45 71.42 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.167 -0.47 . . . . 71.340000000000003 110.938 179.805 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 2.4 tttm -66.17 -31.91 73.03 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.239 -0.437 . . . . 64.219999999999999 110.902 179.853 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 57' ' ' ALA . . . . . 0.404 ' HB3' ' O ' ' A' ' 54' ' ' ILE . . . -55.46 -40.13 71.22 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.231 -0.441 . . . . 74.129999999999995 111.12 179.818 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 58' ' ' ILE . . . . . 0.496 ' O ' HG23 ' A' ' 2' ' ' VAL . 70.5 mt -58.69 -58.85 4.91 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.188 -0.46 . . . . 75.439999999999998 111.156 179.994 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 59' ' ' GLN . . . . . . . . . . . . . 64.8 mt-30 -59.97 -28.6 67.8 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.158 -0.473 . . . . 70.319999999999993 110.893 179.946 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 60' ' ' LEU . . . . . 0.634 HD22 ' CE2' ' A' ' 4' ' ' TYR . 1.8 mt . . . . . 0 C--N 1.328 -0.329 0 CA-C-N 116.181 -0.463 . . . . 74.140000000000001 110.903 -179.948 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 1' ' ' LEU . . . . . 0.471 HD23 ' HA ' ' A' ' 11' ' ' ALA . 3.7 mp . . . . . 0 C--O 1.23 0.074 0 CA-C-O 120.835 0.35 . . . . 75.31 110.883 . . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 2' ' ' VAL . . . . . 0.54 HG23 ' O ' ' A' ' 58' ' ' ILE . 51.0 t -62.04 -50.26 80.8 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.153 -0.476 . . . . 73.2 111.093 179.911 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . -64.28 -29.77 70.84 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.218 -0.447 . . . . 73.54 111.074 179.873 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 4' ' ' TYR . . . . . 0.407 ' CE1' HG11 ' A' ' 41' ' ' VAL . 64.0 t80 -74.21 -48.2 30.51 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.223 -0.444 . . . . 72.33 110.888 -179.827 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . 159.49 -26.58 0.35 Allowed Glycine 0 N--CA 1.451 -0.328 0 C-N-CA 120.724 -0.75 . . . . 72.45 112.519 179.989 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 51.7 mm -58.74 135.09 23.49 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-O 120.821 0.343 . . . . 54.51 111.135 -179.975 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -52.2 143.03 15.29 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.17 -0.468 . . . . 61.03 111.096 179.822 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 8' ' ' GLN . . . . . 0.463 ' HA ' HG22 ' A' ' 2' ' ' VAL . 8.1 pt20 -67.24 -41.41 85.71 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.197 -0.456 . . . . 72.14 110.91 -179.955 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -63.22 -46.0 94.03 Favored Glycine 0 N--CA 1.451 -0.342 0 C-N-CA 120.762 -0.732 . . . . 70.24 112.497 -179.974 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 10' ' ' THR . . . . . 0.691 ' O ' HG23 ' A' ' 14' ' ' VAL . 6.3 m -75.89 -26.2 56.81 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.807 0.337 . . . . 65.02 111.14 -179.849 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 11' ' ' ALA . . . . . 0.686 ' O ' HG23 ' A' ' 15' ' ' VAL . . . -56.07 -57.47 12.0 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.207 -0.451 . . . . 71.33 111.108 179.875 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 28.9 mt-10 -52.04 -40.25 60.79 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.177 -0.465 . . . . 62.11 110.897 -179.945 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 40.1 mtmt -67.6 -46.83 71.43 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.179 -0.464 . . . . 72.23 110.912 179.959 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 14' ' ' VAL . . . . . 0.691 HG23 ' O ' ' A' ' 10' ' ' THR . 91.9 t -60.97 -40.33 85.13 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.199 -0.455 . . . . 73.31 111.085 179.924 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 15' ' ' VAL . . . . . 0.798 HG21 HD13 ' A' ' 58' ' ' ILE . 95.4 t -55.66 -36.52 42.81 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.191 -0.459 . . . . 72.22 111.141 179.93 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 10.9 t -60.48 -35.8 76.77 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.155 -0.475 . . . . 62.45 110.896 -179.851 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 2.1 mm? -71.36 -28.65 64.2 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.117 -0.492 . . . . 74.2 110.899 -179.995 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 18' ' ' ILE . . . . . . . . . . . . . 34.4 mt -65.02 -35.89 76.54 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.159 -0.473 . . . . 62.31 111.129 179.828 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 45.3 t30 -57.22 -24.27 53.48 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.177 -0.465 . . . . 71.23 110.884 179.952 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 20' ' ' ALA . . . . . 0.425 ' CB ' HD13 ' A' ' 22' ' ' LEU . . . -64.94 -20.06 66.27 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.207 -0.451 . . . . 72.32 111.082 179.889 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . 84.92 0.31 89.07 Favored Glycine 0 N--CA 1.451 -0.348 0 C-N-CA 120.738 -0.744 . . . . 62.24 112.547 -179.933 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 22' ' ' LEU . . . . . 0.431 HD23 ' CB ' ' A' ' 26' ' ' SER . 7.0 mp -67.65 155.49 39.05 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.876 0.37 . . . . 61.22 110.907 -179.917 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 24.8 p -76.79 165.28 24.93 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.211 -0.449 . . . . 71.35 111.104 179.977 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 24' ' ' VAL . . . . . 0.492 HG21 ' CB ' ' A' ' 39' ' ' SER . 10.7 p -51.47 -30.22 10.57 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.167 -0.47 . . . . 64.41 111.105 179.935 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . -52.99 -40.03 57.76 Favored Glycine 0 N--CA 1.451 -0.31 0 C-N-CA 120.76 -0.733 . . . . 40.24 112.464 179.96 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 26' ' ' SER . . . . . 0.431 ' CB ' HD23 ' A' ' 22' ' ' LEU . 5.9 p -70.76 -27.09 63.68 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.892 0.377 . . . . 50.2 110.869 -179.696 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 27' ' ' ILE . . . . . 0.441 ' O ' HD23 ' A' ' 31' ' ' LEU . 31.0 mm -65.53 -55.01 21.91 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.106 -0.497 . . . . 70.02 111.12 179.963 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 28' ' ' ILE . . . . . 0.579 HG23 ' OG1' ' A' ' 35' ' ' THR . 56.1 mt -60.47 -33.08 52.98 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.161 -0.472 . . . . 75.2 111.101 179.867 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 1.7 t -55.46 -39.43 70.35 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.173 -0.467 . . . . 62.24 110.867 -179.875 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 30' ' ' ILE . . . . . . . . . . . . . 54.7 mt -77.0 -32.37 19.49 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.118 -0.492 . . . . 75.55 111.156 179.91 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 31' ' ' LEU . . . . . 0.441 HD23 ' O ' ' A' ' 27' ' ' ILE . 4.0 mm? -60.6 -40.33 91.44 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.177 -0.465 . . . . 72.51 110.929 179.894 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . 62.37 57.96 14.48 Favored Glycine 0 N--CA 1.452 -0.27 0 C-N-CA 120.733 -0.746 . . . . 64.04 112.457 179.895 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -179.78 178.99 48.84 Favored Glycine 0 N--CA 1.451 -0.349 0 C-N-CA 120.76 -0.734 . . . . 60.12 112.522 -179.95 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 34' ' ' VAL . . . . . . . . . . . . . 16.0 m -77.24 60.41 0.13 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-O 120.871 0.367 . . . . 64.34 111.167 -179.932 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 35' ' ' THR . . . . . 0.579 ' OG1' HG23 ' A' ' 28' ' ' ILE . 42.8 p -86.81 6.63 30.69 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.178 -0.465 . . . . 74.15 111.105 -179.89 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 36' ' ' VAL . . . . . 0.421 HG23 ' O ' ' A' ' 36' ' ' VAL . 4.8 m -56.05 99.94 0.05 OUTLIER 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 116.252 -0.431 . . . . 73.44 111.121 179.913 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 171.05 -52.92 0.19 Allowed Glycine 0 N--CA 1.451 -0.344 0 C-N-CA 120.753 -0.736 . . . . 71.23 112.497 -179.996 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 38' ' ' LEU . . . . . 0.453 ' O ' HG22 ' A' ' 41' ' ' VAL . 2.0 pt? -63.32 -17.98 63.13 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 120.812 0.339 . . . . 41.23 110.918 -179.94 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 39' ' ' SER . . . . . 0.492 ' CB ' HG21 ' A' ' 24' ' ' VAL . 2.9 m -55.84 -25.38 41.69 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.183 -0.462 . . . . 70.12 110.889 -179.941 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . -70.73 -25.89 74.96 Favored Glycine 0 N--CA 1.451 -0.345 0 C-N-CA 120.789 -0.719 . . . . 64.15 112.454 -179.967 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 41' ' ' VAL . . . . . 0.742 ' O ' HG23 ' A' ' 45' ' ' VAL . 35.3 m -105.15 -24.11 4.17 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-O 120.837 0.351 . . . . 75.52 111.095 -179.947 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 42' ' ' PHE . . . . . . . . . . . . . 4.9 t80 -60.99 -37.72 83.49 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.214 -0.448 . . . . 73.43 110.875 -179.995 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 2.3 m -61.74 -45.37 94.21 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.186 -0.461 . . . . 72.21 111.155 -179.912 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -66.35 -33.17 75.12 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.217 -0.447 . . . . 73.14 111.138 179.831 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 45' ' ' VAL . . . . . 0.742 HG23 ' O ' ' A' ' 41' ' ' VAL . 83.3 t -63.52 -36.9 78.05 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.169 -0.469 . . . . 74.43 111.138 179.964 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 21.3 tttp -52.13 -51.76 55.87 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.176 -0.465 . . . . 45.13 110.862 179.926 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -63.36 -30.48 71.61 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.238 -0.437 . . . . 74.04 111.085 179.852 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 48' ' ' ALA . . . . . 0.455 ' HB3' ' O ' ' A' ' 45' ' ' VAL . . . -57.43 -40.41 78.32 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.217 -0.447 . . . . 53.54 111.089 179.94 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 49' ' ' ILE . . . . . . . . . . . . . 78.1 mt -56.37 -56.0 15.95 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.166 -0.47 . . . . 73.43 111.122 179.963 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -65.55 -24.39 67.09 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.191 -0.459 . . . . 61.55 111.098 179.832 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 9.7 tppt? -76.95 -33.59 57.68 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.228 -0.442 . . . . 64.34 110.903 179.974 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 52' ' ' GLN . . . . . . . . . . . . . 11.4 mm-40 -137.45 -72.85 0.42 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.181 -0.463 . . . . 73.45 110.919 179.927 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . 176.28 153.85 11.04 Favored Glycine 0 N--CA 1.452 -0.284 0 C-N-CA 120.746 -0.74 . . . . 64.02 112.502 -179.991 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 54' ' ' ILE . . . . . . . . . . . . . 16.7 pt -51.75 -35.2 17.33 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-O 120.912 0.386 . . . . 72.01 111.153 -179.949 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 18.8 ptmt -55.55 -45.0 77.3 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.187 -0.461 . . . . 74.24 110.892 179.829 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 3.6 mmmm -60.57 -36.73 79.21 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.26 -0.427 . . . . 74.11 110.87 179.905 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -56.3 -33.05 65.17 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.223 -0.444 . . . . 72.01 111.1 179.8 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 58' ' ' ILE . . . . . 0.798 HD13 HG21 ' A' ' 15' ' ' VAL . 40.7 mm -56.43 -57.32 9.42 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.221 -0.445 . . . . 62.54 111.146 179.998 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 59' ' ' GLN . . . . . . . . . . . . . 50.2 mt-30 -55.42 -29.83 59.32 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.192 -0.458 . . . . 61.14 110.89 179.936 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 60' ' ' LEU . . . . . 0.676 HD23 HG22 ' A' ' 45' ' ' VAL . 1.2 mp . . . . . 0 C--N 1.329 -0.313 0 CA-C-N 116.168 -0.469 . . . . 61.35 110.915 -179.948 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 1' ' ' LEU . . . . . . . . . . . . . 1.6 tp . . . . . 0 C--O 1.231 0.117 0 CA-C-O 120.81 0.338 . . . . 74.4 110.922 . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' A' A ' 2' ' ' VAL . . . . . 0.543 HG21 ' NE2' ' A' ' 8' ' ' GLN . 23.4 t -63.29 -48.94 85.06 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.232 -0.44 . . . . 73.15 111.124 179.847 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . -64.21 -30.98 72.01 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.19 -0.459 . . . . 63.31 111.08 179.914 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 4' ' ' TYR . . . . . 0.505 ' CE1' HG11 ' A' ' 41' ' ' VAL . 0.6 OUTLIER -74.18 -50.82 17.61 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.227 -0.442 . . . . 75.42 110.953 -179.903 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 5' ' ' GLY . . . . . 0.553 ' O ' HD13 ' A' ' 6' ' ' ILE . . . 149.74 52.47 0.02 OUTLIER Glycine 0 N--CA 1.452 -0.288 0 C-N-CA 120.72 -0.752 . . . . 55.43 112.48 -179.982 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 6' ' ' ILE . . . . . 0.682 HD11 ' HG ' ' A' ' 38' ' ' LEU . 49.6 mm -139.25 142.94 32.33 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.343 0 CA-C-O 120.801 0.334 . . . . 70.23 111.149 -179.941 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -51.6 132.98 30.86 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.168 -0.469 . . . . 71.54 111.057 179.865 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 8' ' ' GLN . . . . . 0.543 ' NE2' HG21 ' A' ' 2' ' ' VAL . 4.9 tp-100 -67.96 -55.92 10.93 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.212 -0.449 . . . . 61.52 110.948 -179.951 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -52.73 -41.64 57.99 Favored Glycine 0 N--CA 1.451 -0.315 0 C-N-CA 120.695 -0.764 . . . . 73.32 112.53 179.989 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 10' ' ' THR . . . . . 0.697 ' O ' HG23 ' A' ' 14' ' ' VAL . 96.3 m -76.74 -34.58 58.08 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.785 0.326 . . . . 74.13 111.195 -179.928 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 11' ' ' ALA . . . . . 0.745 ' O ' HG23 ' A' ' 15' ' ' VAL . . . -54.68 -38.48 67.03 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.166 -0.47 . . . . 75.33 111.122 179.853 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 10.6 tt0 -55.0 -56.67 17.11 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.21 -0.45 . . . . 70.42 110.919 -179.926 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 21.8 mtpp -61.98 -37.48 84.95 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.157 -0.474 . . . . 72.31 110.867 179.954 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 14' ' ' VAL . . . . . 0.697 HG23 ' O ' ' A' ' 10' ' ' THR . 94.4 t -60.48 -34.96 60.06 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.233 -0.439 . . . . 73.13 111.129 179.888 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 15' ' ' VAL . . . . . 0.745 HG23 ' O ' ' A' ' 11' ' ' ALA . 93.2 t -55.51 -31.1 27.37 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.18 -0.463 . . . . 64.21 111.144 179.905 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 23.6 t -58.63 -42.81 89.11 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.149 -0.478 . . . . 73.3 110.902 -179.887 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 17' ' ' LEU . . . . . 0.52 HD12 HD22 ' A' ' 22' ' ' LEU . 4.1 mm? -71.25 -39.23 71.75 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.111 -0.495 . . . . 54.44 110.942 179.967 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 18' ' ' ILE . . . . . . . . . . . . . 39.8 mt -65.02 -49.17 80.94 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.187 -0.46 . . . . 70.14 111.108 179.825 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 19.3 t-20 -57.3 -26.89 61.59 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.23 -0.441 . . . . 65.41 110.909 179.935 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 20' ' ' ALA . . . . . 0.459 ' HB3' HD13 ' A' ' 22' ' ' LEU . . . -65.01 -20.04 66.3 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.152 -0.476 . . . . 64.32 111.05 179.936 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . 91.57 17.53 48.8 Favored Glycine 0 N--CA 1.452 -0.296 0 C-N-CA 120.731 -0.747 . . . . 72.43 112.488 -179.982 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 22' ' ' LEU . . . . . 0.52 HD22 HD12 ' A' ' 17' ' ' LEU . 6.6 mp -74.88 145.34 42.81 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.867 0.365 . . . . 74.01 110.912 -179.875 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 12.1 p -76.94 158.21 30.83 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.231 -0.441 . . . . 55.44 111.09 179.981 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 19.0 m -51.49 -30.22 10.65 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.179 -0.464 . . . . 54.52 111.131 179.906 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . -55.51 -52.1 50.21 Favored Glycine 0 N--CA 1.452 -0.293 0 C-N-CA 120.737 -0.744 . . . . 73.13 112.503 179.922 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 49.1 m -63.57 -26.97 68.94 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.857 0.361 . . . . 72.24 110.902 -179.79 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 30.0 mm -64.97 -42.32 94.44 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.145 -0.479 . . . . 74.44 111.158 179.923 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 28' ' ' ILE . . . . . 0.665 HD13 HG23 ' A' ' 35' ' ' THR . 35.6 mm -60.45 -36.95 72.85 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.139 -0.482 . . . . 65.5 111.116 179.859 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 12.3 t -63.46 -30.94 71.99 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.209 -0.45 . . . . 54.04 110.883 -179.908 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 30' ' ' ILE . . . . . . . . . . . . . 44.1 mm -70.02 -60.71 2.17 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.105 -0.498 . . . . 54.41 111.158 179.931 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 31' ' ' LEU . . . . . 0.721 HD22 ' CB ' ' A' ' 35' ' ' THR . 4.3 mp -52.01 -41.99 62.67 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.157 -0.474 . . . . 55.21 110.873 179.897 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . 75.83 17.96 79.82 Favored Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.768 -0.73 . . . . 64.11 112.488 179.93 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -137.0 -176.71 14.51 Favored Glycine 0 N--CA 1.451 -0.353 0 C-N-CA 120.761 -0.733 . . . . 63.23 112.527 -179.953 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 34' ' ' VAL . . . . . . . . . . . . . 14.8 t -77.92 58.4 0.11 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-O 120.913 0.387 . . . . 72.03 111.125 -179.949 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 35' ' ' THR . . . . . 0.721 ' CB ' HD22 ' A' ' 31' ' ' LEU . 8.7 t -87.62 8.53 24.85 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.181 -0.463 . . . . 64.43 111.166 -179.981 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 36' ' ' VAL . . . . . . . . . . . . . 41.3 t -55.2 -25.2 16.35 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.201 -0.454 . . . . 63.23 111.144 179.92 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . -64.72 -46.09 90.85 Favored Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.736 -0.745 . . . . 74.14 112.482 179.993 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 38' ' ' LEU . . . . . 0.682 ' HG ' HD11 ' A' ' 6' ' ' ILE . 4.3 mm? -66.28 -26.48 67.36 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.781 0.324 . . . . 75.32 110.906 -179.924 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 3.6 p -52.56 -29.45 25.58 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.205 -0.452 . . . . 71.41 110.86 -179.935 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . -52.19 -33.23 37.74 Favored Glycine 0 N--CA 1.45 -0.376 0 C-N-CA 120.76 -0.734 . . . . 44.11 112.494 -179.972 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 41' ' ' VAL . . . . . 0.667 ' O ' HG23 ' A' ' 45' ' ' VAL . 27.2 m -104.88 -25.1 3.79 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-O 120.834 0.349 . . . . 74.24 111.139 -179.999 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 42' ' ' PHE . . . . . . . . . . . . . 5.4 t80 -52.14 -40.22 61.07 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.167 -0.47 . . . . 74.02 110.867 -179.971 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 1.9 m -61.29 -47.36 86.34 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.131 -0.486 . . . . 73.51 111.119 -179.888 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -66.4 -33.41 75.65 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.19 -0.459 . . . . 70.03 111.129 179.87 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 45' ' ' VAL . . . . . 0.667 HG23 ' O ' ' A' ' 41' ' ' VAL . 90.2 t -63.71 -47.55 90.59 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.222 -0.445 . . . . 42.32 111.111 179.983 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 12.4 tmtt? -53.39 -52.99 57.55 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.173 -0.467 . . . . 71.41 110.903 179.917 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -62.99 -33.85 76.28 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.2 -0.455 . . . . 41.21 111.144 179.776 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -57.19 -33.27 67.32 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.215 -0.448 . . . . 73.23 111.137 179.902 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 49' ' ' ILE . . . . . 0.525 HG12 ' HB2' ' A' ' 57' ' ' ALA . 75.1 mt -56.36 -54.95 21.97 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.156 -0.474 . . . . 50.24 111.138 179.976 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -65.01 -23.68 67.28 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.168 -0.469 . . . . 65.01 111.091 179.821 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 6.7 mmpt? -76.97 -42.69 37.94 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.224 -0.444 . . . . 70.23 110.849 -179.985 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 52' ' ' GLN . . . . . . . . . . . . . 83.4 mm-40 -119.13 -71.01 0.76 Allowed 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.231 -0.44 . . . . 72.24 110.914 179.968 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . 170.69 155.44 10.43 Favored Glycine 0 N--CA 1.45 -0.369 0 C-N-CA 120.807 -0.711 . . . . 62.12 112.552 -179.98 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 54' ' ' ILE . . . . . 0.539 ' O ' ' HB3' ' A' ' 57' ' ' ALA . 17.6 pt -51.87 -34.76 17.23 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-O 120.907 0.384 . . . . 75.04 111.136 -179.935 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 25.6 ttmt -54.75 -56.26 21.23 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.176 -0.465 . . . . 70.31 110.908 179.815 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 3.4 mptp? -57.8 -27.34 63.03 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.199 -0.455 . . . . 65.35 110.898 179.88 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 57' ' ' ALA . . . . . 0.539 ' HB3' ' O ' ' A' ' 54' ' ' ILE . . . -60.28 -42.05 94.61 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.197 -0.456 . . . . 51.21 111.112 179.808 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 58' ' ' ILE . . . . . 0.517 ' O ' HG23 ' A' ' 2' ' ' VAL . 71.9 mt -57.33 -60.01 2.57 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.203 -0.453 . . . . 74.14 111.128 -179.989 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 59' ' ' GLN . . . . . . . . . . . . . 76.0 mm-40 -56.03 -26.91 50.92 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.164 -0.471 . . . . 71.0 110.894 179.952 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 60' ' ' LEU . . . . . 0.4 HD22 ' CE2' ' A' ' 4' ' ' TYR . 1.6 mt . . . . . 0 C--N 1.328 -0.355 0 CA-C-N 116.2 -0.455 . . . . 70.33 110.934 -179.98 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 1' ' ' LEU . . . . . . . . . . . . . 76.4 mt . . . . . 0 C--O 1.23 0.075 0 CA-C-O 120.868 0.366 . . . . 72.32 110.95 . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild core ' A' A ' 2' ' ' VAL . . . . . 0.454 HG23 ' O ' ' A' ' 58' ' ' ILE . 77.0 t -63.03 -50.17 80.58 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.179 -0.464 . . . . 33.43 111.088 179.848 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . -64.26 -32.52 74.14 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.193 -0.458 . . . . 71.41 111.085 179.907 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 4' ' ' TYR . . . . . 0.618 ' CZ ' HG11 ' A' ' 41' ' ' VAL . 67.3 t80 -74.52 -45.91 42.74 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.234 -0.439 . . . . 74.13 110.911 -179.84 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 5' ' ' GLY . . . . . 0.525 ' O ' HD13 ' A' ' 6' ' ' ILE . . . 152.35 57.38 0.01 OUTLIER Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.764 -0.731 . . . . 32.11 112.505 179.975 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 6' ' ' ILE . . . . . 0.525 HD13 ' O ' ' A' ' 5' ' ' GLY . 49.8 mm -136.49 140.36 43.51 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-O 120.891 0.377 . . . . 64.2 111.125 -179.985 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 7' ' ' ALA . . . . . 0.689 ' HB3' ' HB ' ' A' ' 10' ' ' THR . . . -51.6 134.48 29.64 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.159 -0.473 . . . . 63.4 111.085 179.804 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 45.0 mt-30 -67.74 -56.76 8.0 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.208 -0.451 . . . . 73.31 110.948 -179.968 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -59.46 -38.86 94.12 Favored Glycine 0 N--CA 1.451 -0.308 0 C-N-CA 120.697 -0.763 . . . . 72.44 112.51 -179.982 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 10' ' ' THR . . . . . 0.706 ' O ' HG23 ' A' ' 14' ' ' VAL . 95.8 m -74.6 -33.32 62.59 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.791 0.329 . . . . 74.44 111.188 -179.91 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 11' ' ' ALA . . . . . 0.696 ' O ' HG23 ' A' ' 15' ' ' VAL . . . -51.76 -43.37 62.92 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.179 -0.464 . . . . 43.22 111.103 179.848 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 47.6 mt-10 -52.01 -52.34 51.33 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.233 -0.44 . . . . 72.3 110.88 -179.916 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 5.5 ttmt -68.31 -42.0 80.04 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.162 -0.472 . . . . 74.51 110.945 179.961 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 14' ' ' VAL . . . . . 0.706 HG23 ' O ' ' A' ' 10' ' ' THR . 89.8 t -55.91 -47.84 79.32 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.26 0 CA-C-N 116.185 -0.461 . . . . 70.22 111.123 179.876 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 15' ' ' VAL . . . . . 0.828 HG21 HG12 ' A' ' 58' ' ' ILE . 93.7 t -55.53 -39.47 54.1 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.146 -0.479 . . . . 73.22 111.177 179.892 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 1.7 t -53.05 -39.15 63.05 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.128 -0.487 . . . . 54.22 110.862 -179.85 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 17' ' ' LEU . . . . . 0.512 HD21 HG13 ' A' ' 30' ' ' ILE . 4.5 mp -71.28 -31.01 66.96 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.153 -0.476 . . . . 74.32 110.955 179.95 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 18' ' ' ILE . . . . . . . . . . . . . 34.5 mt -65.11 -49.43 79.39 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.133 -0.485 . . . . 72.33 111.154 179.811 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 20.5 t-20 -58.26 -25.48 61.81 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.186 -0.461 . . . . 74.4 110.886 179.964 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -64.95 -20.12 66.31 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.165 -0.47 . . . . 73.02 111.102 179.84 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . 90.69 14.44 58.21 Favored Glycine 0 N--CA 1.451 -0.328 0 C-N-CA 120.754 -0.736 . . . . 75.11 112.434 -179.988 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 85.5 mt -74.91 160.43 30.62 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.889 0.376 . . . . 74.31 110.884 -179.941 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 68.6 p -84.24 155.6 22.4 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.178 -0.464 . . . . 73.54 111.139 179.924 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 24' ' ' VAL . . . . . 0.464 HG21 ' OG ' ' A' ' 39' ' ' SER . 14.0 p -51.43 -30.43 10.7 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.244 -0.435 . . . . 52.23 111.136 179.919 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . -57.08 -41.69 92.71 Favored Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.763 -0.732 . . . . 21.31 112.491 179.94 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 29.5 t -66.16 -26.95 67.66 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-O 120.85 0.357 . . . . 53.22 110.907 -179.757 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 35.4 mm -61.14 -54.97 27.96 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.088 -0.505 . . . . 63.2 111.166 179.929 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 28' ' ' ILE . . . . . 0.433 HG23 ' OG1' ' A' ' 35' ' ' THR . 30.5 mt -60.35 -33.4 53.83 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.16 -0.473 . . . . 70.23 111.135 179.851 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 1.8 t -59.92 -47.04 87.42 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.163 -0.471 . . . . 63.22 110.856 -179.917 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 30' ' ' ILE . . . . . 0.512 HG13 HD21 ' A' ' 17' ' ' LEU . 51.2 mm -76.74 -28.58 17.45 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 116.104 -0.498 . . . . 74.24 111.135 179.944 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 31' ' ' LEU . . . . . 0.744 ' HG ' HG21 ' A' ' 35' ' ' THR . 0.1 OUTLIER -66.43 -41.96 88.41 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.14 -0.482 . . . . 63.24 110.888 179.924 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . 72.12 57.91 5.45 Favored Glycine 0 N--CA 1.451 -0.345 0 C-N-CA 120.78 -0.724 . . . . 73.53 112.498 179.926 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -178.9 177.29 48.43 Favored Glycine 0 N--CA 1.452 -0.296 0 C-N-CA 120.746 -0.74 . . . . 65.13 112.464 -179.896 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 34' ' ' VAL . . . . . . . . . . . . . 16.1 m -77.35 59.98 0.12 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-O 120.961 0.41 . . . . 73.04 111.146 -179.98 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 35' ' ' THR . . . . . 0.744 HG21 ' HG ' ' A' ' 31' ' ' LEU . 0.8 OUTLIER -87.14 7.52 27.76 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.131 -0.486 . . . . 63.41 111.105 -179.954 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 36' ' ' VAL . . . . . . . . . . . . . 10.0 p -57.38 -23.18 18.8 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.248 -0.433 . . . . 63.24 111.088 179.93 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . -73.72 -48.54 16.83 Favored Glycine 0 N--CA 1.451 -0.302 0 C-N-CA 120.767 -0.73 . . . . 33.45 112.473 179.977 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 38' ' ' LEU . . . . . 0.455 ' O ' HG22 ' A' ' 41' ' ' VAL . 4.3 mm? -66.29 -25.68 66.97 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-O 120.799 0.333 . . . . 73.3 110.908 -179.897 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 39' ' ' SER . . . . . 0.464 ' OG ' HG21 ' A' ' 24' ' ' VAL . 1.2 t -55.54 -26.4 42.96 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.21 -0.45 . . . . 64.51 110.881 -179.943 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . -56.48 -30.57 58.96 Favored Glycine 0 N--CA 1.452 -0.3 0 C-N-CA 120.752 -0.737 . . . . 73.42 112.471 179.981 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 41' ' ' VAL . . . . . 0.711 ' O ' HG23 ' A' ' 45' ' ' VAL . 24.9 m -104.91 -24.12 4.16 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-O 120.864 0.364 . . . . 63.23 111.109 -179.911 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 42' ' ' PHE . . . . . . . . . . . . . 10.0 t80 -52.02 -54.39 30.49 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.193 -0.458 . . . . 74.21 110.88 -179.954 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 4.3 t -54.0 -41.13 67.62 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.119 -0.491 . . . . 74.1 111.202 -179.984 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -66.4 -35.06 79.37 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.227 -0.442 . . . . 65.43 111.117 179.826 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 45' ' ' VAL . . . . . 0.711 HG23 ' O ' ' A' ' 41' ' ' VAL . 55.4 t -63.69 -38.28 81.86 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.178 -0.465 . . . . 51.22 111.122 -179.971 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 50.8 tttm -51.9 -49.25 63.4 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.152 -0.476 . . . . 63.44 110.937 179.888 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -63.51 -30.62 71.71 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.211 -0.449 . . . . 74.52 111.088 179.851 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 48' ' ' ALA . . . . . 0.435 ' HB3' ' O ' ' A' ' 45' ' ' VAL . . . -58.59 -29.62 66.57 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.249 -0.432 . . . . 40.33 111.106 179.901 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 49' ' ' ILE . . . . . . . . . . . . . 64.3 mt -56.4 -54.63 25.98 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.342 0 CA-C-N 116.245 -0.434 . . . . 71.53 111.137 179.975 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -65.42 -24.19 67.14 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.194 -0.457 . . . . 63.43 111.15 179.763 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 34.7 mttt -76.93 -39.09 52.01 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.191 -0.459 . . . . 65.22 110.929 179.918 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 52' ' ' GLN . . . . . . . . . . . . . 9.5 mm100 -130.19 -68.59 0.7 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.245 -0.434 . . . . 73.54 110.937 179.938 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . 168.04 156.45 10.19 Favored Glycine 0 N--CA 1.452 -0.288 0 C-N-CA 120.726 -0.75 . . . . 45.33 112.459 179.985 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 54' ' ' ILE . . . . . . . . . . . . . 52.2 mt -53.89 -39.43 40.15 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-O 120.951 0.405 . . . . 71.3 111.157 -179.99 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 7.6 ptpp? -53.91 -45.56 71.18 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.181 -0.463 . . . . 75.15 110.874 179.885 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -65.99 -33.48 75.9 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.209 -0.45 . . . . 61.55 110.889 179.893 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -61.65 -41.77 97.98 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.253 -0.43 . . . . 74.2 111.118 179.814 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 58' ' ' ILE . . . . . 0.828 HG12 HG21 ' A' ' 15' ' ' VAL . 55.5 mt -56.74 -56.92 11.57 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.218 -0.446 . . . . 72.41 111.109 179.989 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 59' ' ' GLN . . . . . . . . . . . . . 42.8 mm-40 -57.0 -29.58 63.43 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.168 -0.469 . . . . 75.11 110.88 179.973 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 1.1 tp . . . . . 0 C--N 1.328 -0.329 0 CA-C-N 116.222 -0.445 . . . . 73.33 110.874 -179.949 . . . . . . . . 0 0 . 1 . 004 nuclear nobuild core ' A' A ' 1' ' ' LEU . . . . . 0.444 HD22 HG13 ' A' ' 6' ' ' ILE . 45.2 mt . . . . . 0 C--O 1.231 0.116 0 CA-C-O 120.863 0.364 . . . . 71.25 110.908 . . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 2' ' ' VAL . . . . . 0.527 HG23 ' O ' ' A' ' 58' ' ' ILE . 34.9 t -63.33 -49.83 81.32 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.175 -0.466 . . . . 73.4 111.16 179.818 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . -64.35 -29.58 70.65 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.15 -0.477 . . . . 73.23 111.06 179.885 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 4' ' ' TYR . . . . . 0.644 ' HE2' HD12 ' A' ' 38' ' ' LEU . 77.6 t80 -73.97 -48.21 32.04 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.26 -0.427 . . . . 71.24 110.923 -179.86 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . 159.69 -27.04 0.35 Allowed Glycine 0 N--CA 1.452 -0.275 0 C-N-CA 120.732 -0.747 . . . . 73.05 112.466 180.0 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 6' ' ' ILE . . . . . 0.444 HG13 HD22 ' A' ' 1' ' ' LEU . 50.7 mm -58.98 130.15 22.02 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.35 0 CA-C-O 120.845 0.355 . . . . 73.35 111.092 -179.945 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -51.75 137.93 24.59 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.158 -0.473 . . . . 53.12 111.088 179.825 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 14.0 pt20 -68.02 -41.93 81.42 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.264 -0.426 . . . . 70.23 110.935 -179.95 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -53.77 -50.76 52.87 Favored Glycine 0 N--CA 1.451 -0.326 0 C-N-CA 120.764 -0.731 . . . . 62.43 112.482 -179.953 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 10' ' ' THR . . . . . 0.694 ' O ' HG23 ' A' ' 14' ' ' VAL . 95.6 m -76.55 -33.22 58.54 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.838 0.352 . . . . 71.03 111.115 -179.839 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 11' ' ' ALA . . . . . 0.751 ' O ' HG23 ' A' ' 15' ' ' VAL . . . -51.68 -48.56 63.41 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.203 -0.453 . . . . 64.11 111.116 179.864 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 6.5 mt-10 -52.08 -48.84 64.48 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.228 -0.442 . . . . 72.4 110.882 -179.9 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 3.3 ttmp? -67.49 -39.88 85.21 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.197 -0.456 . . . . 74.35 110.915 179.947 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 14' ' ' VAL . . . . . 0.694 HG23 ' O ' ' A' ' 10' ' ' THR . 90.2 t -61.12 -35.07 63.1 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.195 -0.457 . . . . 45.25 111.163 179.821 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 15' ' ' VAL . . . . . 0.751 HG23 ' O ' ' A' ' 11' ' ' ALA . 93.5 t -55.58 -44.68 77.41 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.16 -0.473 . . . . 74.52 111.179 179.896 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 4.9 m -54.33 -34.41 60.99 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.152 -0.476 . . . . 73.24 110.817 -179.818 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 4.2 mp -71.23 -35.45 71.49 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.15 -0.477 . . . . 75.33 110.906 -179.986 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 18' ' ' ILE . . . . . . . . . . . . . 34.8 mt -64.97 -49.83 77.83 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.353 0 CA-C-N 116.192 -0.458 . . . . 50.41 111.145 179.84 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 27.6 t-20 -58.62 -28.83 66.01 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.18 -0.463 . . . . 74.3 110.886 179.945 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 20' ' ' ALA . . . . . 0.608 ' HB3' HD23 ' A' ' 22' ' ' LEU . . . -65.09 -20.05 66.29 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.13 -0.487 . . . . 32.44 111.129 179.854 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . 101.81 18.08 19.12 Favored Glycine 0 N--CA 1.452 -0.262 0 C-N-CA 120.729 -0.748 . . . . 55.43 112.506 -179.938 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 22' ' ' LEU . . . . . 0.64 HD12 ' CB ' ' A' ' 26' ' ' SER . 4.5 mm? -74.89 136.37 41.46 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.939 0.4 . . . . 73.35 110.933 -179.889 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 20.7 p -83.67 161.41 21.08 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.163 -0.471 . . . . 73.4 111.166 179.959 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 24' ' ' VAL . . . . . 0.403 HG23 ' HB3' ' A' ' 42' ' ' PHE . 11.4 p -51.42 -30.9 11.31 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.227 -0.442 . . . . 61.44 111.112 179.899 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . -65.45 -39.63 95.81 Favored Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.764 -0.731 . . . . 72.04 112.457 -179.998 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 26' ' ' SER . . . . . 0.64 ' CB ' HD12 ' A' ' 22' ' ' LEU . 1.4 t -70.68 -32.75 70.11 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.796 0.332 . . . . 65.44 110.839 -179.726 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 35.9 mm -60.37 -55.0 27.25 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.154 -0.475 . . . . 63.42 111.153 179.972 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 28' ' ' ILE . . . . . 0.679 HD11 ' OG ' ' A' ' 39' ' ' SER . 83.2 mt -53.46 -34.2 22.9 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.168 -0.469 . . . . 65.0 111.126 179.847 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 15.6 t -63.53 -30.67 71.75 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.197 -0.456 . . . . 71.23 110.869 -179.946 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 30' ' ' ILE . . . . . . . . . . . . . 43.5 mm -69.73 -61.08 1.83 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.181 -0.463 . . . . 65.41 111.188 179.933 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 6.6 mp -63.05 -42.85 99.81 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.177 -0.465 . . . . 54.33 110.914 179.874 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . 50.01 58.03 9.18 Favored Glycine 0 N--CA 1.451 -0.342 0 C-N-CA 120.769 -0.729 . . . . 50.13 112.5 179.907 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -148.6 -147.57 4.56 Favored Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 120.752 -0.737 . . . . 61.12 112.48 -179.906 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 34' ' ' VAL . . . . . . . . . . . . . 32.3 m -78.21 -1.96 4.46 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-O 120.851 0.358 . . . . 75.42 111.133 179.958 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 71.3 p -78.21 -2.72 39.13 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.223 -0.444 . . . . 73.14 111.14 -179.946 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 36' ' ' VAL . . . . . 0.659 HG23 HG21 ' A' ' 28' ' ' ILE . 6.1 p -56.27 -24.33 17.99 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.264 0 CA-C-N 116.217 -0.447 . . . . 73.55 111.146 179.895 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . -91.21 -32.44 8.87 Favored Glycine 0 N--CA 1.452 -0.288 0 C-N-CA 120.688 -0.768 . . . . 71.32 112.501 179.998 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 38' ' ' LEU . . . . . 0.727 ' O ' HG22 ' A' ' 41' ' ' VAL . 4.3 mm? -66.19 -20.98 66.29 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-O 120.796 0.331 . . . . 61.44 110.893 -179.954 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 39' ' ' SER . . . . . 0.679 ' OG ' HD11 ' A' ' 28' ' ' ILE . 0.9 OUTLIER -58.56 -22.0 54.39 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.16 -0.473 . . . . 71.55 110.891 -179.892 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . -53.51 -26.29 30.37 Favored Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 120.719 -0.753 . . . . 31.32 112.479 -179.955 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 41' ' ' VAL . . . . . 0.727 HG22 ' O ' ' A' ' 38' ' ' LEU . 18.7 m -93.36 -20.3 6.42 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-O 120.889 0.376 . . . . 72.31 111.16 179.985 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 42' ' ' PHE . . . . . 0.403 ' HB3' HG23 ' A' ' 24' ' ' VAL . 4.6 t80 -55.15 -38.54 68.4 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.142 -0.481 . . . . 75.11 110.867 -179.982 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 21.3 m -58.46 -47.64 83.33 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.175 -0.466 . . . . 64.21 111.123 -179.882 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -65.7 -30.6 71.31 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.235 -0.439 . . . . 71.23 111.103 179.862 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 45' ' ' VAL . . . . . 0.634 HG23 ' O ' ' A' ' 41' ' ' VAL . 53.3 t -65.8 -44.73 92.88 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.202 -0.454 . . . . 73.42 111.141 179.953 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 1.2 tmtp? -53.96 -48.18 70.55 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.143 -0.48 . . . . 74.44 110.892 179.95 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -60.28 -30.75 69.66 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.258 -0.428 . . . . 73.14 111.083 179.804 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 48' ' ' ALA . . . . . 0.445 ' HB3' ' O ' ' A' ' 45' ' ' VAL . . . -58.88 -36.91 75.41 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.241 -0.436 . . . . 75.34 111.062 179.972 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 49' ' ' ILE . . . . . . . . . . . . . 68.3 mt -56.38 -55.78 17.18 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.243 -0.435 . . . . 72.41 111.133 179.981 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -65.42 -23.7 67.01 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.184 -0.462 . . . . 62.5 111.115 179.846 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 30.2 tttp -76.98 -37.46 55.1 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.206 -0.452 . . . . 74.23 110.877 179.925 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 52' ' ' GLN . . . . . . . . . . . . . 71.0 mm-40 -133.89 -67.79 0.58 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.225 -0.443 . . . . 65.01 110.87 -179.986 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . 169.91 156.07 10.7 Favored Glycine 0 N--CA 1.451 -0.361 0 C-N-CA 120.746 -0.74 . . . . 43.33 112.472 -179.948 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 54' ' ' ILE . . . . . . . . . . . . . 22.0 pt -51.67 -32.58 14.17 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-O 120.902 0.382 . . . . 72.22 111.146 -179.994 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -56.69 -42.14 78.55 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.157 -0.474 . . . . 63.31 110.867 179.894 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 17.0 tppt? -66.47 -35.21 79.72 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.205 -0.452 . . . . 64.22 110.892 179.879 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -60.49 -38.56 84.69 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.218 -0.446 . . . . 73.55 111.113 179.814 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 58' ' ' ILE . . . . . 0.527 ' O ' HG23 ' A' ' 2' ' ' VAL . 69.4 mt -56.46 -59.91 2.44 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.354 0 CA-C-N 116.268 -0.424 . . . . 71.02 111.146 179.952 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 59' ' ' GLN . . . . . . . . . . . . . 34.7 mm-40 -58.19 -27.2 63.65 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.152 -0.476 . . . . 61.23 110.929 179.913 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 C--N 1.328 -0.337 0 CA-C-N 116.201 -0.454 . . . . 74.04 110.907 -179.987 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 1' ' ' LEU . . . . . 0.556 HD22 HG13 ' A' ' 6' ' ' ILE . 39.6 mt . . . . . 0 C--O 1.231 0.11 0 CA-C-O 120.795 0.331 . . . . 73.41 110.912 . . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 2' ' ' VAL . . . . . 0.651 HG22 ' HA ' ' A' ' 8' ' ' GLN . 67.9 t -63.22 -50.04 80.67 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.228 -0.442 . . . . 74.22 111.117 179.859 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . -64.44 -28.99 70.05 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.17 -0.468 . . . . 72.4 111.078 179.892 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 4' ' ' TYR . . . . . . . . . . . . . 85.6 t80 -73.98 -48.31 31.23 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.218 -0.446 . . . . 70.43 110.921 -179.889 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . 160.22 -27.57 0.33 Allowed Glycine 0 N--CA 1.451 -0.307 0 C-N-CA 120.791 -0.719 . . . . 72.41 112.491 179.992 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 6' ' ' ILE . . . . . 0.556 HG13 HD22 ' A' ' 1' ' ' LEU . 50.6 mm -57.8 137.69 19.66 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.342 0 CA-C-O 120.818 0.342 . . . . 74.42 111.131 -179.985 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 7' ' ' ALA . . . . . 0.465 ' O ' ' HB2' ' A' ' 11' ' ' ALA . . . -51.64 139.52 20.66 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.183 -0.462 . . . . 73.24 111.102 179.817 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 8' ' ' GLN . . . . . 0.651 ' HA ' HG22 ' A' ' 2' ' ' VAL . 6.6 pt20 -67.88 -42.82 80.67 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.244 -0.435 . . . . 71.55 110.952 -179.977 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -62.33 -46.51 93.74 Favored Glycine 0 N--CA 1.451 -0.354 0 C-N-CA 120.781 -0.723 . . . . 51.43 112.507 179.982 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 88.2 m -77.0 -25.88 53.21 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-O 120.815 0.34 . . . . 53.14 111.14 -179.864 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 11' ' ' ALA . . . . . 0.745 ' O ' HG23 ' A' ' 15' ' ' VAL . . . -51.53 -36.86 46.72 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.207 -0.451 . . . . 74.3 111.054 179.91 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 13.3 mt-10 -72.26 -32.94 67.12 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.236 -0.438 . . . . 63.23 110.838 -179.879 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 29.7 mttm -69.42 -54.26 15.24 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.208 -0.451 . . . . 75.14 110.888 179.953 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 16.9 m -52.08 -34.91 18.17 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.252 -0.431 . . . . 73.31 111.112 179.888 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 15' ' ' VAL . . . . . 0.745 HG23 ' O ' ' A' ' 11' ' ' ALA . 53.8 t -55.57 -34.71 35.98 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.183 -0.462 . . . . 43.31 111.19 179.9 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 1.7 t -59.53 -37.61 78.83 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.177 -0.465 . . . . 74.3 110.88 -179.873 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 2.5 mp -71.38 -29.14 64.6 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.069 -0.514 . . . . 72.51 110.885 -179.965 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 18' ' ' ILE . . . . . . . . . . . . . 24.2 mt -65.27 -49.62 77.89 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.223 -0.444 . . . . 74.14 111.108 179.849 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 4.9 t-20 -55.81 -29.81 60.35 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.189 -0.46 . . . . 65.05 110.865 179.981 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 20' ' ' ALA . . . . . 0.586 ' HB3' HD23 ' A' ' 22' ' ' LEU . . . -64.94 -20.15 66.32 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.221 -0.445 . . . . 70.33 111.131 179.837 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . 95.94 17.71 34.31 Favored Glycine 0 N--CA 1.451 -0.362 0 C-N-CA 120.757 -0.735 . . . . 72.32 112.492 -179.952 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 22' ' ' LEU . . . . . 0.586 HD23 ' HB3' ' A' ' 20' ' ' ALA . 4.5 mm? -74.85 135.37 41.58 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-O 120.862 0.363 . . . . 71.21 110.905 -179.915 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 36.1 p -76.78 157.0 31.92 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.198 -0.455 . . . . 62.43 111.129 179.942 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 24' ' ' VAL . . . . . 0.406 HG11 ' OG1' ' A' ' 43' ' ' THR . 19.5 m -51.3 -30.44 10.27 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.186 -0.461 . . . . 53.31 111.167 179.904 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . -57.61 -46.54 91.99 Favored Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.711 -0.757 . . . . 74.21 112.489 179.987 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 2.8 m -70.8 -26.96 63.56 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.816 0.341 . . . . 54.34 110.84 -179.739 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 41.5 mm -60.27 -41.38 86.82 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 116.163 -0.471 . . . . 75.35 111.146 179.906 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 28' ' ' ILE . . . . . . . . . . . . . 41.0 mt -60.72 -43.9 96.11 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.178 -0.464 . . . . 64.3 111.167 179.841 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 2.8 t -63.92 -45.36 89.61 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.189 -0.459 . . . . 71.52 110.829 -179.915 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 30' ' ' ILE . . . . . . . . . . . . . 45.4 mm -70.02 -27.17 31.68 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.156 -0.475 . . . . 73.51 111.121 179.969 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 31' ' ' LEU . . . . . 0.643 HD11 HD11 ' A' ' 38' ' ' LEU . 0.3 OUTLIER -57.96 -22.84 51.12 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.156 -0.474 . . . . 73.55 110.935 179.907 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . 88.19 29.88 18.57 Favored Glycine 0 N--CA 1.452 -0.292 0 C-N-CA 120.712 -0.756 . . . . 74.44 112.526 179.93 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . 157.65 141.88 3.27 Favored Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 120.783 -0.722 . . . . 71.24 112.494 -179.907 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 34' ' ' VAL . . . . . 0.465 ' O ' HG23 ' A' ' 34' ' ' VAL . 8.2 m -69.72 101.88 0.76 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-O 120.89 0.376 . . . . 64.43 111.177 180.0 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 35' ' ' THR . . . . . 0.617 HG21 ' HG ' ' A' ' 38' ' ' LEU . 8.7 t -81.81 -36.68 28.11 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.188 -0.46 . . . . 65.1 111.148 -179.949 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 36' ' ' VAL . . . . . . . . . . . . . 22.1 t 50.44 65.63 0.17 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.224 -0.444 . . . . 64.35 111.164 179.908 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 174.03 -65.98 0.11 Allowed Glycine 0 N--CA 1.452 -0.299 0 C-N-CA 120.735 -0.745 . . . . 74.04 112.485 -179.995 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 38' ' ' LEU . . . . . 0.643 HD11 HD11 ' A' ' 31' ' ' LEU . 1.5 pp -59.78 -20.26 55.6 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-O 120.833 0.349 . . . . 72.44 110.912 -179.894 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -69.98 -43.83 70.67 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.163 -0.471 . . . . 72.34 110.84 -179.886 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . -60.49 -29.08 68.57 Favored Glycine 0 N--CA 1.451 -0.308 0 C-N-CA 120.745 -0.74 . . . . 75.53 112.447 -179.974 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 41' ' ' VAL . . . . . . . . . . . . . 7.2 p -93.12 -21.51 6.08 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.258 0 CA-C-O 120.831 0.348 . . . . 63.44 111.134 -179.962 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 42' ' ' PHE . . . . . . . . . . . . . 17.7 t80 -51.84 -45.85 64.15 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.224 -0.444 . . . . 74.01 110.9 179.949 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 43' ' ' THR . . . . . 0.406 ' OG1' HG11 ' A' ' 24' ' ' VAL . 0.5 OUTLIER -54.65 -46.59 73.98 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.114 -0.494 . . . . 53.34 111.153 -179.923 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -58.85 -33.76 70.81 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.236 -0.438 . . . . 75.23 111.14 179.832 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 45' ' ' VAL . . . . . 0.755 HG22 HD23 ' A' ' 60' ' ' LEU . 93.7 t -70.79 -46.96 66.16 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.234 -0.439 . . . . 70.2 111.1 179.972 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 8.6 tmtt? -57.79 -48.48 79.56 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.169 -0.469 . . . . 74.25 110.864 179.954 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -59.13 -35.19 73.05 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.28 -0.418 . . . . 73.41 111.118 179.833 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -57.4 -28.23 63.05 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.189 -0.459 . . . . 31.24 111.078 179.961 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 49' ' ' ILE . . . . . . . . . . . . . 72.8 mt -56.5 -56.02 16.06 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.233 -0.439 . . . . 71.24 111.122 -179.999 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -65.82 -23.57 66.72 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.182 -0.463 . . . . 51.14 111.115 179.833 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 1.5 tppp? -76.94 -36.6 56.45 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.189 -0.459 . . . . 53.42 110.86 179.986 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 52' ' ' GLN . . . . . . . . . . . . . 2.9 mp0 -135.92 -69.85 0.48 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.251 -0.431 . . . . 72.22 110.914 179.974 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . 175.12 155.45 12.57 Favored Glycine 0 N--CA 1.451 -0.344 0 C-N-CA 120.731 -0.747 . . . . 44.03 112.489 -179.98 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 54' ' ' ILE . . . . . . . . . . . . . 23.4 pt -51.42 -31.27 11.79 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-O 120.969 0.414 . . . . 73.13 111.158 179.992 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -56.6 -36.86 69.89 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.149 -0.478 . . . . 73.33 110.887 179.878 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 47.6 mmtt -66.24 -40.65 90.37 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.218 -0.446 . . . . 62.24 110.916 179.878 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -55.76 -34.96 65.69 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.202 -0.453 . . . . 73.52 111.09 179.857 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 58' ' ' ILE . . . . . 0.521 ' O ' HG23 ' A' ' 2' ' ' VAL . 71.4 mt -60.63 -57.58 11.36 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.247 -0.433 . . . . 72.41 111.12 179.924 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 59' ' ' GLN . . . . . . . . . . . . . 75.0 mm-40 -57.07 -31.71 65.5 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.171 -0.468 . . . . 71.34 110.905 179.962 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 60' ' ' LEU . . . . . 0.755 HD23 HG22 ' A' ' 45' ' ' VAL . 1.1 mp . . . . . 0 C--N 1.329 -0.312 0 CA-C-N 116.263 -0.426 . . . . 75.31 110.849 -179.962 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 1' ' ' LEU . . . . . 0.421 HD22 HG13 ' A' ' 6' ' ' ILE . 58.9 mt . . . . . 0 C--O 1.231 0.104 0 CA-C-O 120.838 0.351 . . . . 72.2 110.915 . . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 2' ' ' VAL . . . . . 0.475 HG23 ' O ' ' A' ' 58' ' ' ILE . 92.5 t -62.96 -48.91 85.76 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.163 -0.471 . . . . 72.45 111.128 179.827 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . -63.84 -32.63 74.21 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.227 -0.442 . . . . 45.1 111.074 179.869 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 4' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER -74.43 -50.93 16.45 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.225 -0.443 . . . . 75.05 110.929 -179.817 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . 160.11 55.5 0.01 OUTLIER Glycine 0 N--CA 1.452 -0.286 0 C-N-CA 120.677 -0.773 . . . . 71.04 112.427 179.998 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 6' ' ' ILE . . . . . 0.604 HD11 HD12 ' A' ' 38' ' ' LEU . 41.5 mm -134.35 144.39 35.32 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-O 120.826 0.346 . . . . 72.04 111.108 -179.999 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 7' ' ' ALA . . . . . 0.769 ' HB3' ' HB ' ' A' ' 10' ' ' THR . . . -51.48 144.61 9.99 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.155 -0.475 . . . . 73.4 111.072 179.804 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 6.3 tp-100 -67.35 -57.04 7.34 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.152 -0.477 . . . . 72.11 110.925 -179.92 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -67.63 -33.99 82.44 Favored Glycine 0 N--CA 1.452 -0.284 0 C-N-CA 120.743 -0.741 . . . . 73.04 112.477 -179.997 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 10' ' ' THR . . . . . 0.769 ' HB ' ' HB3' ' A' ' 7' ' ' ALA . 7.4 m -77.1 -25.65 52.47 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.734 0.302 . . . . 75.54 111.085 -179.853 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 11' ' ' ALA . . . . . 0.643 ' O ' HG23 ' A' ' 15' ' ' VAL . . . -50.96 -38.73 52.53 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.264 -0.425 . . . . 60.12 111.097 179.858 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 9.1 tt0 -71.82 -33.55 68.6 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.217 -0.447 . . . . 73.34 110.886 -179.912 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 51.9 mttp -69.32 -54.47 14.42 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.172 -0.467 . . . . 72.22 110.874 179.976 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 15.3 m -52.65 -41.31 37.3 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.247 -0.433 . . . . 65.43 111.098 179.904 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 15' ' ' VAL . . . . . 0.643 HG23 ' O ' ' A' ' 11' ' ' ALA . 63.6 t -59.48 -43.93 91.73 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.158 -0.474 . . . . 75.11 111.144 179.919 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 4.0 t -53.68 -34.57 59.14 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.169 -0.469 . . . . 63.51 110.88 -179.905 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 1.5 mt -71.54 -28.47 63.89 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.108 -0.497 . . . . 74.03 110.939 -179.989 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 18' ' ' ILE . . . . . . . . . . . . . 17.7 mt -65.52 -34.36 69.92 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.194 -0.457 . . . . 64.2 111.102 179.868 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 17.9 t-20 -57.4 -23.94 52.39 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.227 -0.442 . . . . 63.44 110.862 179.943 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -64.83 -20.03 66.18 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.202 -0.454 . . . . 64.34 111.093 179.872 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . 81.63 7.85 87.63 Favored Glycine 0 N--CA 1.452 -0.277 0 C-N-CA 120.726 -0.75 . . . . 72.44 112.465 -179.963 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 22' ' ' LEU . . . . . 0.569 HD12 ' OG ' ' A' ' 26' ' ' SER . 1.6 pt? -69.96 169.31 13.54 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.909 0.385 . . . . 73.24 110.913 -179.88 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 12.2 p -84.04 149.15 26.44 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.192 -0.458 . . . . 72.41 111.142 179.952 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 6.7 p -51.4 -33.03 13.86 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.227 -0.442 . . . . 75.34 111.129 179.903 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . -53.34 -35.1 49.6 Favored Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.722 -0.752 . . . . 75.53 112.494 -179.998 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 26' ' ' SER . . . . . 0.569 ' OG ' HD12 ' A' ' 22' ' ' LEU . 22.1 t -70.7 -27.03 63.69 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.834 0.35 . . . . 75.21 110.837 -179.787 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 38.1 mm -60.28 -49.28 84.8 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.152 -0.476 . . . . 71.55 111.124 179.942 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 28' ' ' ILE . . . . . 0.529 HD11 ' CB ' ' A' ' 39' ' ' SER . 59.9 mt -60.5 -40.63 84.94 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.194 -0.457 . . . . 65.43 111.176 179.876 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 2.4 t -55.49 -39.19 70.13 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.14 -0.482 . . . . 63.34 110.834 -179.906 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 30' ' ' ILE . . . . . . . . . . . . . 50.7 mm -74.45 -24.5 18.77 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-N 116.114 -0.494 . . . . 65.21 111.143 179.94 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 31' ' ' LEU . . . . . 0.941 HD22 HG21 ' A' ' 35' ' ' THR . 6.4 mt -78.48 -27.06 46.2 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.152 -0.477 . . . . 55.23 110.921 179.898 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . 128.04 -38.04 2.17 Favored Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.759 -0.734 . . . . 30.15 112.503 179.948 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 33' ' ' GLY . . . . . 0.573 ' O ' HG13 ' A' ' 36' ' ' VAL . . . 124.31 -23.63 6.4 Favored Glycine 0 N--CA 1.451 -0.353 0 C-N-CA 120.8 -0.714 . . . . 42.53 112.51 -179.918 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 34' ' ' VAL . . . . . . . . . . . . . 25.1 m -77.57 -13.03 14.09 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-O 120.899 0.381 . . . . 75.5 111.141 -179.976 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 35' ' ' THR . . . . . 0.941 HG21 HD22 ' A' ' 31' ' ' LEU . 80.6 p -87.27 8.17 25.37 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.133 -0.485 . . . . 73.2 111.12 -179.997 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 36' ' ' VAL . . . . . 0.573 HG13 ' O ' ' A' ' 33' ' ' GLY . 4.4 m -53.16 101.47 0.04 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.237 -0.438 . . . . 64.25 111.14 179.915 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 165.95 -45.99 0.27 Allowed Glycine 0 N--CA 1.451 -0.323 0 C-N-CA 120.767 -0.73 . . . . 72.33 112.494 -179.994 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 38' ' ' LEU . . . . . 0.604 HD12 HD11 ' A' ' 6' ' ' ILE . 2.0 pt? -66.2 -18.18 65.19 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-O 120.83 0.348 . . . . 73.43 110.921 -179.918 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 39' ' ' SER . . . . . 0.529 ' CB ' HD11 ' A' ' 28' ' ' ILE . 1.9 t -57.17 -23.83 50.18 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.191 -0.459 . . . . 71.44 110.863 -179.954 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . -74.24 -24.12 74.15 Favored Glycine 0 N--CA 1.451 -0.333 0 C-N-CA 120.701 -0.762 . . . . 71.33 112.496 -179.975 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 41' ' ' VAL . . . . . 0.448 HG22 ' O ' ' A' ' 38' ' ' LEU . 35.0 m -105.18 -24.39 4.06 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-O 120.854 0.359 . . . . 72.52 111.164 179.978 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 42' ' ' PHE . . . . . . . . . . . . . 11.9 t80 -54.13 -54.48 39.02 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.174 -0.466 . . . . 72.53 110.903 -179.975 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 1.1 m -54.01 -43.11 69.78 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.102 -0.499 . . . . 53.22 111.154 -179.923 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -59.86 -40.54 88.96 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.229 -0.441 . . . . 41.5 111.089 179.875 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 45' ' ' VAL . . . . . 0.609 HG22 HD23 ' A' ' 60' ' ' LEU . 89.2 t -70.54 -33.69 54.4 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.24 -0.436 . . . . 64.14 111.115 -180.0 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 19.0 ttpt -55.89 -52.97 62.21 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.203 -0.453 . . . . 75.44 110.875 179.927 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -57.38 -32.75 67.1 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.205 -0.452 . . . . 74.22 111.097 179.849 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 48' ' ' ALA . . . . . 0.414 ' HB3' ' O ' ' A' ' 45' ' ' VAL . . . -58.01 -31.12 66.65 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.197 -0.456 . . . . 74.31 111.102 179.945 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 49' ' ' ILE . . . . . . . . . . . . . 79.9 mt -56.38 -55.82 16.93 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.361 0 CA-C-N 116.222 -0.445 . . . . 72.42 111.142 179.993 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -62.31 -24.38 67.27 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.149 -0.478 . . . . 73.23 111.128 179.764 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 1.3 mmmm -77.11 -45.98 25.08 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.208 -0.451 . . . . 72.42 110.891 -179.998 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 52' ' ' GLN . . . . . . . . . . . . . 29.0 mm-40 -122.12 -72.83 0.67 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.198 -0.456 . . . . 65.21 110.896 179.966 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . 173.73 154.82 11.04 Favored Glycine 0 N--CA 1.451 -0.364 0 C-N-CA 120.802 -0.713 . . . . 63.12 112.55 -179.964 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 54' ' ' ILE . . . . . . . . . . . . . 17.5 pt -51.77 -34.78 16.93 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-O 120.911 0.386 . . . . 63.33 111.153 -179.938 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 13.0 ptpt -56.75 -45.17 82.18 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.124 -0.489 . . . . 74.21 110.914 179.795 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 3.0 mmmp? -66.18 -36.96 84.46 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.199 -0.455 . . . . 72.3 110.874 179.91 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -56.83 -32.98 66.29 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.238 -0.437 . . . . 72.52 111.056 179.858 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 58' ' ' ILE . . . . . 0.475 ' O ' HG23 ' A' ' 2' ' ' VAL . 77.8 mt -56.44 -59.46 2.89 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.212 -0.449 . . . . 64.45 111.086 -179.995 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 59' ' ' GLN . . . . . . . . . . . . . 33.1 mm-40 -54.8 -31.01 58.5 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.204 -0.453 . . . . 71.33 110.881 180.0 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 60' ' ' LEU . . . . . 0.609 HD23 HG22 ' A' ' 45' ' ' VAL . 1.2 mp . . . . . 0 C--N 1.328 -0.344 0 CA-C-N 116.196 -0.456 . . . . 51.11 110.899 -179.941 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 1' ' ' LEU . . . . . . . . . . . . . 1.7 mp . . . . . 0 C--O 1.231 0.109 0 CA-C-O 120.886 0.374 . . . . 75.35 110.926 . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild core ' A' A ' 2' ' ' VAL . . . . . 0.496 HG23 ' O ' ' A' ' 58' ' ' ILE . 25.5 t -62.95 -49.96 81.51 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.179 -0.464 . . . . 75.24 111.114 179.837 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . -64.18 -29.75 70.84 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.202 -0.454 . . . . 74.55 111.135 179.874 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 4' ' ' TYR . . . . . . . . . . . . . 1.7 m-85 -74.08 -48.5 29.38 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.178 -0.464 . . . . 70.32 110.933 -179.882 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . 160.68 -27.67 0.31 Allowed Glycine 0 N--CA 1.451 -0.335 0 C-N-CA 120.815 -0.707 . . . . 75.13 112.552 -179.988 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 50.0 mm -57.81 128.19 18.01 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-O 120.848 0.356 . . . . 71.42 111.144 179.993 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -51.41 132.0 29.21 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.151 -0.477 . . . . 65.42 111.144 179.817 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 3.4 pm0 -62.38 -32.03 72.78 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.224 -0.443 . . . . 45.41 110.859 -179.893 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -63.45 -51.14 56.78 Favored Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.752 -0.737 . . . . 63.02 112.479 -179.972 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 10' ' ' THR . . . . . 0.698 ' O ' HG23 ' A' ' 14' ' ' VAL . 93.1 m -77.11 -32.22 56.4 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-O 120.771 0.32 . . . . 72.14 111.123 -179.829 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 11' ' ' ALA . . . . . 0.75 ' O ' HG23 ' A' ' 15' ' ' VAL . . . -52.04 -44.69 64.35 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.23 -0.441 . . . . 72.41 111.068 179.851 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 60.6 mt-10 -52.19 -51.43 58.16 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.238 -0.437 . . . . 75.11 110.88 -179.92 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 46.5 mttp -67.53 -38.48 84.29 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.195 -0.457 . . . . 70.14 110.93 179.947 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 14' ' ' VAL . . . . . 0.698 HG23 ' O ' ' A' ' 10' ' ' THR . 99.3 t -60.21 -34.98 59.13 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.191 -0.459 . . . . 73.13 111.117 179.887 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 15' ' ' VAL . . . . . 0.75 HG23 ' O ' ' A' ' 11' ' ' ALA . 97.9 t -55.45 -44.51 76.25 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.164 -0.471 . . . . 72.15 111.15 179.947 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 27.9 t -53.22 -35.34 59.8 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.132 -0.486 . . . . 71.5 110.843 -179.819 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 5.0 mp -71.37 -36.43 71.45 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.107 -0.497 . . . . 74.15 110.868 -179.974 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 18' ' ' ILE . . . . . . . . . . . . . 33.6 mt -64.98 -49.76 78.15 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.179 -0.464 . . . . 50.32 111.164 179.817 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 34.1 t30 -58.28 -28.52 65.06 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.147 -0.479 . . . . 75.42 110.855 179.997 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 20' ' ' ALA . . . . . 0.613 ' HB3' HD23 ' A' ' 22' ' ' LEU . . . -65.37 -20.12 66.25 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.211 -0.45 . . . . 65.03 111.087 179.868 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . 96.75 19.63 26.51 Favored Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 120.708 -0.758 . . . . 74.32 112.519 -179.911 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 22' ' ' LEU . . . . . 0.613 HD23 ' HB3' ' A' ' 20' ' ' ALA . 4.4 mm? -74.82 136.29 41.6 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.897 0.379 . . . . 75.44 110.898 -179.935 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 3.1 p -77.26 156.73 31.22 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.23 -0.441 . . . . 73.3 111.141 179.905 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 19.6 m -51.49 -30.47 10.96 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.215 -0.448 . . . . 61.33 111.104 179.948 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . -58.97 -46.25 93.95 Favored Glycine 0 N--CA 1.451 -0.303 0 C-N-CA 120.73 -0.748 . . . . 23.35 112.477 179.981 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 2.7 m -66.81 -31.36 71.94 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.868 0.366 . . . . 74.21 110.875 -179.729 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 36.9 mm -60.4 -55.06 26.85 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.116 -0.493 . . . . 74.22 111.103 179.958 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 28' ' ' ILE . . . . . 0.722 HG23 ' OG1' ' A' ' 35' ' ' THR . 46.3 mm -60.47 -38.42 77.93 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.204 -0.453 . . . . 50.35 111.111 179.892 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 22.7 t -55.56 -31.31 62.05 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.166 -0.47 . . . . 71.41 110.829 -179.882 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 30' ' ' ILE . . . . . . . . . . . . . 44.4 mt -77.15 -49.02 23.72 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.346 0 CA-C-N 116.155 -0.475 . . . . 74.31 111.122 179.966 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 31' ' ' LEU . . . . . 0.761 ' HG ' HG21 ' A' ' 35' ' ' THR . 4.1 mm? -51.95 -39.03 58.6 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.187 -0.461 . . . . 73.42 110.96 179.86 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . 53.49 57.97 13.75 Favored Glycine 0 N--CA 1.451 -0.3 0 C-N-CA 120.768 -0.729 . . . . 72.45 112.48 179.888 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -168.45 -165.87 26.57 Favored Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.76 -0.733 . . . . 74.11 112.512 -179.9 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 34' ' ' VAL . . . . . . . . . . . . . 15.5 t -77.55 59.35 0.12 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-O 120.95 0.405 . . . . 74.44 111.145 -179.961 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 35' ' ' THR . . . . . 0.761 HG21 ' HG ' ' A' ' 31' ' ' LEU . 0.7 OUTLIER -87.01 7.18 28.76 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.132 -0.486 . . . . 61.05 111.113 -179.945 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 36' ' ' VAL . . . . . 0.451 HG13 ' O ' ' A' ' 36' ' ' VAL . 2.6 p -54.95 100.75 0.05 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.256 -0.429 . . . . 71.52 111.152 179.893 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 137.84 -31.54 2.46 Favored Glycine 0 N--CA 1.451 -0.361 0 C-N-CA 120.767 -0.73 . . . . 72.33 112.529 179.99 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 38' ' ' LEU . . . . . 0.601 ' O ' HD12 ' A' ' 38' ' ' LEU . 2.9 tp -66.65 -39.9 88.43 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.799 0.333 . . . . 74.55 110.938 -179.972 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 93.4 p -58.93 -25.55 63.58 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.165 -0.471 . . . . 61.01 110.887 -179.969 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . -61.4 -39.0 96.67 Favored Glycine 0 N--CA 1.451 -0.336 0 C-N-CA 120.734 -0.746 . . . . 72.24 112.466 -179.962 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 41' ' ' VAL . . . . . 0.679 ' O ' HG23 ' A' ' 45' ' ' VAL . 32.2 m -93.54 -24.86 5.0 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-O 120.868 0.366 . . . . 64.41 111.147 -179.965 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 42' ' ' PHE . . . . . . . . . . . . . 3.6 t80 -56.37 -51.32 68.73 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.172 -0.467 . . . . 74.54 110.888 -179.985 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 4.3 t -54.09 -41.1 67.87 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.163 -0.471 . . . . 64.12 111.159 -179.914 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -66.39 -33.59 76.05 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.171 -0.468 . . . . 53.2 111.126 179.81 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 45' ' ' VAL . . . . . 0.679 HG23 ' O ' ' A' ' 41' ' ' VAL . 62.6 t -63.56 -45.89 96.45 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.217 -0.447 . . . . 63.15 111.124 -179.987 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 30.3 tttm -51.91 -41.42 61.96 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.186 -0.461 . . . . 74.31 110.898 179.924 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -63.45 -35.36 80.17 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.209 -0.45 . . . . 73.3 111.107 179.807 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -61.1 -36.4 79.6 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.228 -0.442 . . . . 73.5 111.105 179.933 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 49' ' ' ILE . . . . . . . . . . . . . 75.7 mt -56.48 -56.05 15.88 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.241 -0.436 . . . . 52.31 111.14 179.967 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -65.57 -24.1 67.01 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.189 -0.46 . . . . 71.24 111.111 179.82 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 38.3 tttt -76.94 -34.92 57.61 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.189 -0.459 . . . . 72.33 110.911 179.976 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 52' ' ' GLN . . . . . . . . . . . . . 22.6 mm100 -136.81 -73.43 0.43 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.19 -0.459 . . . . 75.32 110.949 179.951 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . 178.47 154.18 12.35 Favored Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.764 -0.732 . . . . 55.12 112.483 -179.982 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 54' ' ' ILE . . . . . 0.411 ' O ' ' HB3' ' A' ' 57' ' ' ALA . 35.3 pt -51.42 -30.28 10.47 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-O 120.934 0.397 . . . . 71.31 111.134 179.989 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -52.06 -47.24 65.22 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.197 -0.456 . . . . 71.2 110.872 179.899 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 3.8 mttp -66.1 -28.53 68.89 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.223 -0.444 . . . . 73.12 110.945 179.837 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 57' ' ' ALA . . . . . 0.411 ' HB3' ' O ' ' A' ' 54' ' ' ILE . . . -62.96 -34.44 77.51 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.15 -0.477 . . . . 72.43 111.126 179.842 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 58' ' ' ILE . . . . . 0.496 ' O ' HG23 ' A' ' 2' ' ' VAL . 63.4 mt -61.91 -59.86 3.63 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.231 -0.44 . . . . 74.33 111.148 179.933 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 59' ' ' GLN . . . . . . . . . . . . . 3.8 pt20 -55.26 -26.98 43.3 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.131 -0.486 . . . . 75.53 110.943 179.942 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 60' ' ' LEU . . . . . 0.665 HD23 HG22 ' A' ' 45' ' ' VAL . 1.0 OUTLIER . . . . . 0 C--N 1.329 -0.32 0 CA-C-N 116.184 -0.462 . . . . 74.53 110.94 179.999 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 1' ' ' LEU . . . . . 0.478 HD22 HG13 ' A' ' 6' ' ' ILE . 58.7 mt . . . . . 0 C--O 1.232 0.138 0 CA-C-O 120.906 0.384 . . . . 74.5 110.931 . . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 2' ' ' VAL . . . . . 0.596 HG22 ' HA ' ' A' ' 8' ' ' GLN . 97.6 t -63.19 -49.22 84.06 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.21 -0.45 . . . . 74.42 111.111 179.89 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . -64.06 -28.62 69.91 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.197 -0.456 . . . . 65.04 111.103 179.857 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 4' ' ' TYR . . . . . 0.729 ' CZ ' HG11 ' A' ' 41' ' ' VAL . 0.2 OUTLIER -73.92 -51.06 17.31 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.238 -0.437 . . . . 73.43 110.906 -179.871 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . 164.87 -25.22 0.18 Allowed Glycine 0 N--CA 1.451 -0.309 0 C-N-CA 120.737 -0.744 . . . . 71.32 112.481 179.962 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 6' ' ' ILE . . . . . 0.478 HG13 HD22 ' A' ' 1' ' ' LEU . 50.3 mm -56.71 139.4 16.24 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-O 120.761 0.315 . . . . 74.24 111.182 179.999 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 7' ' ' ALA . . . . . 0.471 ' O ' ' HB2' ' A' ' 11' ' ' ALA . . . -51.46 142.93 12.83 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.222 -0.445 . . . . 52.23 111.058 179.831 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 8' ' ' GLN . . . . . 0.596 ' HA ' HG22 ' A' ' 2' ' ' VAL . 5.1 pt20 -68.09 -43.19 79.09 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.198 -0.455 . . . . 73.04 110.891 -179.948 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -69.11 -42.26 77.35 Favored Glycine 0 N--CA 1.451 -0.337 0 C-N-CA 120.715 -0.755 . . . . 51.41 112.484 -179.956 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 25.7 m -76.36 -25.64 54.88 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.798 0.332 . . . . 74.24 111.163 -179.874 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 11' ' ' ALA . . . . . 0.658 ' O ' HG23 ' A' ' 15' ' ' VAL . . . -51.05 -38.74 53.36 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.213 -0.449 . . . . 62.11 111.08 179.846 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 3.8 tt0 -71.85 -33.39 68.39 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.21 -0.45 . . . . 72.2 110.881 -179.934 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 25.3 tttp -69.43 -54.46 14.27 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.167 -0.47 . . . . 72.51 110.874 179.992 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 15.3 m -52.54 -41.23 36.04 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.225 -0.443 . . . . 72.25 111.122 179.878 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 15' ' ' VAL . . . . . 0.658 HG23 ' O ' ' A' ' 11' ' ' ALA . 59.7 t -58.61 -45.11 90.71 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.128 -0.487 . . . . 73.52 111.131 179.946 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 4.2 t -54.01 -33.95 58.56 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.138 -0.483 . . . . 65.15 110.889 -179.87 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 17' ' ' LEU . . . . . 0.722 HD12 HD21 ' A' ' 22' ' ' LEU . 0.2 OUTLIER -71.52 -28.01 63.59 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.085 -0.507 . . . . 54.4 110.978 179.993 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 18' ' ' ILE . . . . . 0.404 HD11 ' CZ ' ' A' ' 42' ' ' PHE . 17.4 mt -65.41 -32.49 58.44 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.138 -0.483 . . . . 71.11 111.144 179.807 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 19.3 t30 -59.01 -21.24 58.72 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.155 -0.475 . . . . 74.32 110.913 179.944 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -64.75 -20.0 66.1 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.185 -0.461 . . . . 74.22 111.098 179.843 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . 90.01 -7.28 81.94 Favored Glycine 0 N--CA 1.452 -0.295 0 C-N-CA 120.736 -0.745 . . . . 44.55 112.481 -179.954 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 22' ' ' LEU . . . . . 0.722 HD21 HD12 ' A' ' 17' ' ' LEU . 4.2 pp -67.45 146.5 53.93 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 120.891 0.377 . . . . 75.11 110.913 -179.943 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 2.3 p -76.61 170.79 15.77 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.168 -0.469 . . . . 70.53 111.163 179.919 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 24' ' ' VAL . . . . . 0.581 HG11 ' OG1' ' A' ' 43' ' ' THR . 26.3 m -51.82 -28.91 10.16 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-N 116.232 -0.44 . . . . 74.44 111.152 179.883 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . -52.81 -39.69 55.9 Favored Glycine 0 N--CA 1.451 -0.349 0 C-N-CA 120.729 -0.748 . . . . 54.34 112.488 -179.981 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 26' ' ' SER . . . . . 0.686 ' HB3' HD13 ' A' ' 22' ' ' LEU . 0.3 OUTLIER -70.55 -32.92 70.54 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.83 0.348 . . . . 75.21 110.857 -179.78 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 33.1 mm -60.6 -46.1 96.2 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.137 -0.483 . . . . 74.54 111.114 179.95 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 28' ' ' ILE . . . . . 0.825 HD13 HG23 ' A' ' 35' ' ' THR . 36.5 mm -60.5 -35.39 62.83 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.198 -0.455 . . . . 62.42 111.063 179.92 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 14.7 m -63.42 -31.1 72.16 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.201 -0.454 . . . . 64.11 110.844 -179.843 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 30' ' ' ILE . . . . . . . . . . . . . 50.0 mm -72.7 -60.49 2.37 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.139 -0.482 . . . . 72.25 111.107 179.971 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 4.4 mm? -58.29 -42.07 85.8 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.173 -0.467 . . . . 72.3 110.909 179.906 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . 119.33 -18.02 10.31 Favored Glycine 0 N--CA 1.451 -0.31 0 C-N-CA 120.716 -0.754 . . . . 72.15 112.488 179.911 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . 136.26 -5.74 3.91 Favored Glycine 0 N--CA 1.451 -0.332 0 C-N-CA 120.705 -0.76 . . . . 45.44 112.48 -179.87 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 34' ' ' VAL . . . . . . . . . . . . . 41.2 t -69.96 -34.87 61.81 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-O 120.92 0.39 . . . . 61.2 111.157 179.997 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 35' ' ' THR . . . . . 0.825 HG23 HD13 ' A' ' 28' ' ' ILE . 8.9 t -87.81 10.08 19.68 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.192 -0.458 . . . . 72.45 111.18 179.999 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 36' ' ' VAL . . . . . 0.549 ' HA ' HD12 ' A' ' 28' ' ' ILE . 12.1 p -53.35 -26.72 13.06 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.226 -0.443 . . . . 71.52 111.1 179.96 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . -89.12 -40.78 6.04 Favored Glycine 0 N--CA 1.451 -0.352 0 C-N-CA 120.768 -0.729 . . . . 54.0 112.482 179.998 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 38' ' ' LEU . . . . . 0.46 ' O ' HG22 ' A' ' 41' ' ' VAL . 4.3 mm? -66.28 -29.14 69.3 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-O 120.833 0.349 . . . . 64.01 110.918 -179.923 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 39' ' ' SER . . . . . 0.731 ' HB3' HD11 ' A' ' 28' ' ' ILE . 4.4 p -54.7 -26.99 37.25 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.166 -0.47 . . . . 74.33 110.822 -179.876 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . -52.05 -31.82 33.78 Favored Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.8 -0.714 . . . . 73.45 112.453 -179.967 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 41' ' ' VAL . . . . . 0.743 ' O ' HG23 ' A' ' 45' ' ' VAL . 26.9 m -105.1 -22.79 4.7 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-O 120.873 0.368 . . . . 73.05 111.13 -179.958 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 42' ' ' PHE . . . . . 0.404 ' CZ ' HD11 ' A' ' 18' ' ' ILE . 12.2 t80 -51.64 -43.13 62.51 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.143 -0.481 . . . . 63.51 110.844 -179.941 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 43' ' ' THR . . . . . 0.581 ' OG1' HG11 ' A' ' 24' ' ' VAL . 0.2 OUTLIER -58.98 -47.58 84.65 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.17 -0.468 . . . . 65.2 111.146 -179.897 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -66.52 -29.46 69.56 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.242 -0.435 . . . . 45.13 111.086 179.846 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 45' ' ' VAL . . . . . 0.743 HG23 ' O ' ' A' ' 41' ' ' VAL . 97.7 t -63.59 -38.59 82.66 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.25 -0.432 . . . . 52.15 111.143 179.988 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 41.9 tttm -51.91 -46.97 64.8 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.186 -0.461 . . . . 74.22 110.938 179.894 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -63.55 -30.91 71.96 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.225 -0.443 . . . . 62.41 111.114 179.835 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 48' ' ' ALA . . . . . 0.45 ' HB3' ' O ' ' A' ' 45' ' ' VAL . . . -57.28 -40.44 77.75 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.165 -0.471 . . . . 50.34 111.079 179.933 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 49' ' ' ILE . . . . . . . . . . . . . 73.6 mt -56.35 -55.67 17.7 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.234 -0.439 . . . . 72.32 111.148 179.963 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -63.86 -24.78 67.88 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.135 -0.484 . . . . 73.22 111.09 179.814 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 3.7 tppt? -77.02 -37.45 54.92 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.223 -0.444 . . . . 74.13 110.879 179.979 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 52' ' ' GLN . . . . . . . . . . . . . 53.4 mt-30 -131.98 -74.35 0.51 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.272 -0.422 . . . . 61.23 110.903 179.996 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . 175.5 153.3 10.16 Favored Glycine 0 N--CA 1.45 -0.373 0 C-N-CA 120.79 -0.719 . . . . 62.21 112.515 -179.967 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 54' ' ' ILE . . . . . . . . . . . . . 16.4 pt -51.83 -35.45 17.97 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-O 120.917 0.389 . . . . 70.55 111.112 -179.947 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 8.9 ptpp? -56.2 -44.85 79.88 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.156 -0.475 . . . . 73.34 110.883 179.866 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 21.2 mmmt -65.7 -38.4 89.13 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.247 -0.433 . . . . 54.02 110.903 179.857 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -56.92 -32.95 66.46 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.207 -0.451 . . . . 63.31 111.133 179.814 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 58' ' ' ILE . . . . . 0.4 ' O ' HG23 ' A' ' 2' ' ' VAL . 78.5 mt -58.8 -58.69 5.68 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.205 -0.452 . . . . 71.33 111.182 179.946 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 59' ' ' GLN . . . . . . . . . . . . . 52.1 mt-30 -51.75 -33.11 33.38 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.107 -0.497 . . . . 75.41 110.891 179.937 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 1.2 mp . . . . . 0 C--N 1.329 -0.322 0 CA-C-N 116.185 -0.462 . . . . 72.2 110.94 -179.992 . . . . . . . . 0 0 . 1 . 009 nuclear nobuild core ' A' A ' 1' ' ' LEU . . . . . . . . . . . . . 2.1 mp . . . . . 0 C--O 1.231 0.087 0 CA-C-O 120.857 0.361 . . . . 73.54 110.883 . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild core ' A' A ' 2' ' ' VAL . . . . . 0.486 HG23 ' O ' ' A' ' 58' ' ' ILE . 39.1 t -63.16 -49.3 83.79 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.209 -0.451 . . . . 62.43 111.107 179.837 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . -64.36 -30.14 71.19 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.17 -0.468 . . . . 74.23 111.07 179.919 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 4' ' ' TYR . . . . . 0.713 ' CE1' HG21 ' A' ' 41' ' ' VAL . 65.7 t80 -74.08 -49.44 23.99 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.229 -0.441 . . . . 74.14 110.914 -179.843 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . 161.22 -26.85 0.28 Allowed Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 120.781 -0.723 . . . . 74.55 112.542 179.995 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 6' ' ' ILE . . . . . 0.433 HD11 HD22 ' A' ' 38' ' ' LEU . 51.0 mm -58.38 133.84 23.32 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-O 120.837 0.351 . . . . 74.45 111.154 -179.968 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -51.83 137.75 25.42 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.163 -0.471 . . . . 72.43 111.084 179.888 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 8' ' ' GLN . . . . . 0.48 ' HA ' HG22 ' A' ' 2' ' ' VAL . 43.7 tt0 -67.53 -46.44 72.78 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.204 -0.453 . . . . 60.2 110.889 -179.901 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -54.82 -46.11 77.24 Favored Glycine 0 N--CA 1.451 -0.343 0 C-N-CA 120.716 -0.754 . . . . 71.45 112.503 -179.961 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 10' ' ' THR . . . . . 0.709 ' O ' HG23 ' A' ' 14' ' ' VAL . 94.0 m -76.22 -37.86 57.16 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.766 0.317 . . . . 72.13 111.15 -179.891 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 11' ' ' ALA . . . . . 0.722 ' O ' HG23 ' A' ' 15' ' ' VAL . . . -53.33 -34.65 58.34 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.2 -0.455 . . . . 43.14 111.136 179.885 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 3.4 tt0 -55.61 -56.1 24.28 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.165 -0.47 . . . . 62.13 110.845 -179.935 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 1.3 mptm? -66.3 -38.77 88.49 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.176 -0.465 . . . . 60.12 110.86 -179.973 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 14' ' ' VAL . . . . . 0.709 HG23 ' O ' ' A' ' 10' ' ' THR . 94.1 t -53.47 -37.5 30.26 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.221 -0.445 . . . . 61.32 111.155 179.865 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 15' ' ' VAL . . . . . 0.722 HG23 ' O ' ' A' ' 11' ' ' ALA . 57.9 t -55.62 -40.65 60.8 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.205 -0.452 . . . . 74.11 111.11 179.917 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 6.3 t -53.72 -38.02 63.89 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.185 -0.461 . . . . 71.11 110.858 -179.799 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 5.5 mt -71.25 -37.6 71.96 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.115 -0.493 . . . . 61.02 110.906 179.969 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 18' ' ' ILE . . . . . . . . . . . . . 38.7 mt -65.04 -40.62 89.62 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.199 -0.455 . . . . 71.3 111.116 179.88 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 14.9 t-20 -58.23 -25.33 61.54 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.153 -0.476 . . . . 72.51 110.871 179.961 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -64.96 -20.1 66.3 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.182 -0.463 . . . . 34.24 111.094 179.87 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . 87.48 14.46 63.63 Favored Glycine 0 N--CA 1.451 -0.339 0 C-N-CA 120.791 -0.718 . . . . 62.42 112.456 -179.957 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 4.0 mm? -74.94 155.04 37.86 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-O 120.945 0.402 . . . . 50.14 110.871 -179.906 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 17.8 p -84.21 160.69 20.76 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.165 -0.47 . . . . 72.55 111.154 179.947 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 11.3 p -51.44 -29.96 10.11 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.239 -0.437 . . . . 74.35 111.134 179.866 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . -52.95 -49.56 54.57 Favored Glycine 0 N--CA 1.45 -0.372 0 C-N-CA 120.784 -0.722 . . . . 64.32 112.514 179.988 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 26' ' ' SER . . . . . 0.645 ' O ' HD12 ' A' ' 30' ' ' ILE . 1.5 p -70.73 -29.78 66.14 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.839 0.352 . . . . 61.31 110.841 -179.73 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 34.5 mm -60.55 -49.17 85.47 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.137 -0.483 . . . . 60.14 111.124 179.955 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 28' ' ' ILE . . . . . 0.651 HG23 ' OG1' ' A' ' 35' ' ' THR . 79.1 mt -55.37 -33.02 30.48 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.171 -0.468 . . . . 72.04 111.114 179.837 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 6.2 t -59.91 -51.22 70.61 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.17 -0.468 . . . . 65.02 110.861 -179.861 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 30' ' ' ILE . . . . . 0.645 HD12 ' O ' ' A' ' 26' ' ' SER . 3.8 mp -77.59 -24.74 14.6 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.085 -0.507 . . . . 72.5 111.107 179.966 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 31' ' ' LEU . . . . . 0.938 HD21 HD21 ' A' ' 38' ' ' LEU . 6.2 tp -59.9 -27.5 66.78 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.223 -0.444 . . . . 74.14 110.888 179.907 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . 128.09 -38.18 2.14 Favored Glycine 0 N--CA 1.452 -0.292 0 C-N-CA 120.753 -0.737 . . . . 64.32 112.476 179.912 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . 121.98 164.1 12.12 Favored Glycine 0 N--CA 1.451 -0.342 0 C-N-CA 120.76 -0.733 . . . . 54.22 112.503 -179.885 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 34' ' ' VAL . . . . . 0.426 HG12 ' O ' ' A' ' 34' ' ' VAL . 3.2 t 52.11 27.22 0.13 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-O 120.942 0.401 . . . . 70.15 111.112 -179.961 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 35' ' ' THR . . . . . 0.717 HG21 ' HB3' ' A' ' 31' ' ' LEU . 28.5 p -88.64 10.23 21.34 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.22 -0.445 . . . . 75.11 111.132 -179.971 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 36' ' ' VAL . . . . . . . . . . . . . 61.0 t -51.21 102.25 0.03 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.218 -0.446 . . . . 63.33 111.133 179.895 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 162.83 -62.84 0.26 Allowed Glycine 0 N--CA 1.451 -0.339 0 C-N-CA 120.731 -0.747 . . . . 73.4 112.473 179.983 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 38' ' ' LEU . . . . . 0.938 HD21 HD21 ' A' ' 31' ' ' LEU . 1.3 pp -66.72 -13.8 61.77 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.82 0.343 . . . . 74.52 110.939 -179.924 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 74.5 p -51.93 -47.78 64.54 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.165 -0.47 . . . . 74.41 110.82 -179.924 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . -58.3 -20.28 43.33 Favored Glycine 0 N--CA 1.451 -0.342 0 C-N-CA 120.704 -0.76 . . . . 74.42 112.507 -179.946 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 41' ' ' VAL . . . . . 0.713 HG21 ' CE1' ' A' ' 4' ' ' TYR . 90.5 t -94.66 -36.7 7.17 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-O 120.815 0.341 . . . . 61.04 111.129 179.947 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 42' ' ' PHE . . . . . . . . . . . . . 2.2 t80 -53.78 -48.48 69.74 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.216 -0.447 . . . . 64.14 110.881 -179.955 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 1.9 m -54.72 -46.66 74.24 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.118 -0.492 . . . . 55.34 111.164 -179.911 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -61.65 -33.27 73.67 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.202 -0.453 . . . . 74.41 111.099 179.878 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 45' ' ' VAL . . . . . 0.579 HG23 ' O ' ' A' ' 41' ' ' VAL . 61.7 t -69.61 -48.11 67.57 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.221 -0.445 . . . . 71.32 111.156 179.931 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 5.5 mtpm? -52.07 -42.34 63.11 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.158 -0.474 . . . . 74.23 110.864 179.941 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -61.93 -40.02 94.06 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.222 -0.444 . . . . 72.45 111.11 179.859 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -57.16 -30.75 64.73 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.209 -0.451 . . . . 72.53 111.094 179.918 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 49' ' ' ILE . . . . . . . . . . . . . 73.1 mt -56.59 -55.86 17.15 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.219 -0.446 . . . . 74.01 111.124 -179.969 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -64.84 -22.43 66.99 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.183 -0.462 . . . . 71.42 111.105 179.823 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 26.9 mmtm -76.92 -46.03 25.72 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.224 -0.443 . . . . 74.25 110.918 179.915 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 52' ' ' GLN . . . . . . . . . . . . . 4.6 mt-30 -124.08 -68.61 0.85 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.24 -0.437 . . . . 73.21 110.94 179.94 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . 173.5 155.97 12.54 Favored Glycine 0 N--CA 1.45 -0.368 0 C-N-CA 120.723 -0.751 . . . . 71.12 112.509 -179.96 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 54' ' ' ILE . . . . . . . . . . . . . 20.5 pt -51.77 -33.69 15.73 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-O 120.876 0.369 . . . . 75.51 111.102 -179.976 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -55.58 -40.0 71.41 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.238 -0.437 . . . . 61.44 110.873 179.87 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 4.7 mptp? -65.87 -38.32 88.48 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.251 -0.431 . . . . 71.42 110.893 179.908 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -55.75 -35.13 65.86 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.212 -0.449 . . . . 51.34 111.1 179.832 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 58' ' ' ILE . . . . . 0.486 ' O ' HG23 ' A' ' 2' ' ' VAL . 77.3 mt -56.59 -56.12 15.72 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.228 -0.442 . . . . 70.35 111.13 179.97 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 59' ' ' GLN . . . . . . . . . . . . . 35.9 mt-30 -57.65 -27.1 62.54 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.214 -0.448 . . . . 72.41 110.933 179.957 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 C--N 1.328 -0.33 0 CA-C-N 116.165 -0.47 . . . . 71.1 110.92 179.997 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 1' ' ' LEU . . . . . . . . . . . . . 8.1 mp . . . . . 0 C--O 1.231 0.122 0 CA-C-O 120.861 0.362 . . . . 73.44 110.874 . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild core ' A' A ' 2' ' ' VAL . . . . . 0.65 HG22 ' HA ' ' A' ' 8' ' ' GLN . 71.1 t -62.46 -49.84 82.24 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.239 -0.437 . . . . 65.13 111.138 179.846 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . -64.44 -29.71 70.76 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.203 -0.453 . . . . 62.33 111.132 179.859 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 4' ' ' TYR . . . . . 0.634 ' CE2' HD22 ' A' ' 60' ' ' LEU . 1.1 m-85 -74.26 -50.96 16.8 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.162 -0.472 . . . . 71.32 110.921 -179.861 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . 164.06 -27.28 0.21 Allowed Glycine 0 N--CA 1.452 -0.293 0 C-N-CA 120.73 -0.748 . . . . 55.22 112.465 179.968 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 6' ' ' ILE . . . . . 1.031 HD11 HD13 ' A' ' 38' ' ' LEU . 50.6 mm -56.89 138.03 18.15 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-O 120.841 0.353 . . . . 73.4 111.145 -179.959 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 7' ' ' ALA . . . . . 0.467 ' O ' ' HB2' ' A' ' 11' ' ' ALA . . . -51.5 143.25 12.41 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.207 -0.451 . . . . 51.24 111.089 179.831 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 8' ' ' GLN . . . . . 0.65 ' HA ' HG22 ' A' ' 2' ' ' VAL . 24.9 pt20 -67.84 -42.46 81.39 Favored 'General case' 0 C--N 1.33 -0.283 0 CA-C-N 116.252 -0.431 . . . . 73.53 110.895 -179.923 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -68.14 -43.81 79.19 Favored Glycine 0 N--CA 1.452 -0.286 0 C-N-CA 120.732 -0.747 . . . . 71.24 112.492 -179.981 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 63.4 m -75.86 -25.74 56.46 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-O 120.757 0.313 . . . . 62.13 111.091 -179.832 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 11' ' ' ALA . . . . . 0.673 ' O ' HG23 ' A' ' 15' ' ' VAL . . . -51.08 -38.56 52.43 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.223 -0.444 . . . . 65.05 111.121 179.869 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 5.7 tm-20 -71.91 -33.39 68.26 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.269 -0.423 . . . . 75.34 110.919 -179.939 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 8.8 mtpm? -69.36 -54.48 14.31 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.166 -0.47 . . . . 74.43 110.893 179.936 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 14.9 m -52.49 -41.18 35.47 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.258 -0.428 . . . . 73.34 111.093 179.861 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 15' ' ' VAL . . . . . 0.673 HG23 ' O ' ' A' ' 11' ' ' ALA . 55.1 t -57.44 -44.15 84.03 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.212 -0.449 . . . . 64.34 111.137 179.918 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 10.1 t -53.6 -35.03 60.44 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.183 -0.462 . . . . 62.41 110.838 -179.834 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 17' ' ' LEU . . . . . 0.708 ' HG ' HD21 ' A' ' 22' ' ' LEU . 2.7 tp -71.49 -28.79 64.17 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.1 -0.5 . . . . 64.43 110.941 -179.991 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 18' ' ' ILE . . . . . 0.401 HD11 ' CZ ' ' A' ' 42' ' ' PHE . 21.3 mt -65.22 -38.26 82.21 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.158 -0.474 . . . . 75.34 111.167 179.808 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 10.0 t-20 -58.74 -22.18 57.09 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.194 -0.457 . . . . 72.44 110.875 179.93 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -64.88 -20.06 66.23 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.125 -0.488 . . . . 74.24 111.074 179.913 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . 93.75 -6.29 73.67 Favored Glycine 0 N--CA 1.451 -0.34 0 C-N-CA 120.753 -0.737 . . . . 63.32 112.483 -179.95 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 22' ' ' LEU . . . . . 0.708 HD21 ' HG ' ' A' ' 17' ' ' LEU . 3.9 pp -67.65 141.96 56.55 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-O 120.875 0.369 . . . . 74.24 110.915 -179.921 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 30.6 p -76.85 171.46 14.7 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.197 -0.456 . . . . 73.51 111.114 179.976 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 10.5 p -51.41 -30.34 10.51 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.191 -0.459 . . . . 71.13 111.08 179.903 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . -52.98 -38.42 55.38 Favored Glycine 0 N--CA 1.45 -0.368 0 C-N-CA 120.773 -0.727 . . . . 34.55 112.495 -179.975 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 26' ' ' SER . . . . . 0.641 ' HB2' HD13 ' A' ' 22' ' ' LEU . 2.1 m -70.77 -31.87 68.8 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 120.853 0.358 . . . . 71.41 110.849 -179.734 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 40.7 mm -61.42 -47.08 95.07 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.101 -0.5 . . . . 62.42 111.143 179.931 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 28' ' ' ILE . . . . . . . . . . . . . 40.2 mm -59.98 -36.37 66.65 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.156 -0.475 . . . . 64.12 111.147 179.837 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 2.0 t -60.55 -32.81 71.85 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.186 -0.461 . . . . 61.11 110.866 -179.934 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 30' ' ' ILE . . . . . . . . . . . . . 51.9 mm -77.19 -54.94 11.93 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.128 -0.487 . . . . 73.41 111.136 179.965 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 31' ' ' LEU . . . . . 0.809 ' HG ' HG21 ' A' ' 35' ' ' THR . 4.2 mm? -52.38 -41.9 63.52 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.2 -0.455 . . . . 72.41 110.898 179.91 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . 66.26 23.85 71.77 Favored Glycine 0 N--CA 1.45 -0.372 0 C-N-CA 120.759 -0.734 . . . . 71.41 112.546 179.929 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -138.28 -174.74 13.55 Favored Glycine 0 N--CA 1.452 -0.285 0 C-N-CA 120.746 -0.74 . . . . 74.14 112.427 -179.866 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 34' ' ' VAL . . . . . . . . . . . . . 16.1 m -77.35 59.86 0.12 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-O 120.906 0.384 . . . . 53.01 111.147 -179.967 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 35' ' ' THR . . . . . 0.935 HG22 HD21 ' A' ' 38' ' ' LEU . 2.8 p -86.93 7.07 28.95 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.186 -0.461 . . . . 65.41 111.151 -179.973 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 36' ' ' VAL . . . . . . . . . . . . . 33.4 m -58.03 -22.52 19.29 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.237 -0.438 . . . . 60.43 111.115 179.945 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . -81.06 -56.33 3.08 Favored Glycine 0 N--CA 1.451 -0.33 0 C-N-CA 120.707 -0.759 . . . . 33.13 112.512 179.982 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 38' ' ' LEU . . . . . 1.031 HD13 HD11 ' A' ' 6' ' ' ILE . 3.1 pp -66.29 -36.68 83.59 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 120.782 0.325 . . . . 70.2 110.903 -179.948 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 39.2 p -59.83 -21.03 60.35 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.208 -0.451 . . . . 72.0 110.847 -179.881 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . -52.65 -27.28 26.81 Favored Glycine 0 N--CA 1.451 -0.34 0 C-N-CA 120.739 -0.743 . . . . 63.01 112.497 179.966 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 41' ' ' VAL . . . . . 0.697 ' O ' HG23 ' A' ' 45' ' ' VAL . 18.9 m -93.42 -21.59 5.99 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-O 120.808 0.337 . . . . 71.14 111.067 -179.947 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 42' ' ' PHE . . . . . 0.401 ' CZ ' HD11 ' A' ' 18' ' ' ILE . 4.7 t80 -51.9 -39.72 59.53 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.249 -0.432 . . . . 74.44 110.891 -179.944 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -59.19 -51.48 69.83 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.156 -0.475 . . . . 74.32 111.146 -179.945 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -63.86 -29.83 70.98 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.188 -0.46 . . . . 71.15 111.073 179.896 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 45' ' ' VAL . . . . . 0.697 HG23 ' O ' ' A' ' 41' ' ' VAL . 90.1 t -65.13 -36.11 77.0 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.231 -0.441 . . . . 60.21 111.154 179.959 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 46' ' ' LYS . . . . . 0.569 ' HA ' HD12 ' A' ' 49' ' ' ILE . 2.5 ttmp? -55.98 -48.8 75.18 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.154 -0.475 . . . . 70.52 110.933 179.869 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -61.99 -30.06 70.68 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.211 -0.45 . . . . 71.13 111.075 179.835 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 48' ' ' ALA . . . . . 0.425 ' HB3' ' O ' ' A' ' 45' ' ' VAL . . . -58.74 -45.34 89.88 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.226 -0.443 . . . . 74.22 111.147 179.936 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 49' ' ' ILE . . . . . 0.569 HD12 ' HA ' ' A' ' 46' ' ' LYS . 4.1 mt -56.26 -52.84 46.74 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.213 -0.449 . . . . 75.13 111.153 179.964 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -65.08 -25.04 67.63 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.147 -0.478 . . . . 74.32 111.054 179.848 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 31.5 tptt -77.37 -39.82 46.05 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.22 -0.446 . . . . 74.14 110.847 -179.969 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 52' ' ' GLN . . . . . . . . . . . . . 28.2 mm-40 -134.42 -64.5 0.68 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.199 -0.455 . . . . 72.45 110.87 -179.974 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . 165.9 157.61 10.2 Favored Glycine 0 N--CA 1.451 -0.325 0 C-N-CA 120.775 -0.726 . . . . 71.35 112.516 -179.905 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 54' ' ' ILE . . . . . . . . . . . . . 1.7 pp -51.68 -30.56 11.73 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.358 0 CA-C-O 120.941 0.4 . . . . 73.13 111.137 179.988 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 15.2 ptmt -52.58 -46.45 66.92 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.149 -0.478 . . . . 75.53 110.874 179.907 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 32.1 tptt -66.54 -34.79 78.69 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.272 -0.422 . . . . 73.31 110.902 179.883 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -58.08 -33.08 68.68 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.208 -0.451 . . . . 53.23 111.137 179.791 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 58' ' ' ILE . . . . . 0.51 ' O ' HG23 ' A' ' 2' ' ' VAL . 67.8 mt -57.61 -60.04 2.61 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.19 -0.459 . . . . 63.1 111.162 179.949 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 59' ' ' GLN . . . . . . . . . . . . . 60.7 mm-40 -55.45 -31.9 62.32 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.185 -0.461 . . . . 62.22 110.881 179.971 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 60' ' ' LEU . . . . . 0.634 HD22 ' CE2' ' A' ' 4' ' ' TYR . 1.2 mt . . . . . 0 C--N 1.328 -0.339 0 CA-C-N 116.252 -0.431 . . . . 52.21 110.886 179.982 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 1' ' ' LEU . . . . . 0.501 ' HG ' HG11 ' A' ' 45' ' ' VAL . 45.3 mt . . . . . 0 C--O 1.231 0.119 0 CA-C-O 120.864 0.364 . . . . 71.23 110.903 . . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 2' ' ' VAL . . . . . 0.575 HG23 ' O ' ' A' ' 58' ' ' ILE . 90.3 t -59.5 -51.43 72.74 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.238 -0.437 . . . . 73.42 111.115 179.852 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . -65.07 -28.69 69.64 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.181 -0.463 . . . . 64.51 111.063 179.912 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 4' ' ' TYR . . . . . . . . . . . . . 2.7 m-85 -74.1 -50.65 18.56 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.223 -0.444 . . . . 62.04 110.936 -179.868 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . 160.79 49.75 0.02 OUTLIER Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.759 -0.734 . . . . 75.24 112.513 179.973 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 6' ' ' ILE . . . . . 0.572 HD11 HD23 ' A' ' 38' ' ' LEU . 45.9 mm -131.28 144.24 38.26 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-O 120.849 0.357 . . . . 72.34 111.107 -179.975 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 7' ' ' ALA . . . . . 0.731 ' HB3' ' HB ' ' A' ' 10' ' ' THR . . . -51.46 151.2 3.18 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.138 -0.483 . . . . 74.44 111.078 179.86 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 28.9 tt0 -68.0 -57.11 6.7 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.214 -0.448 . . . . 73.23 110.908 -179.914 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -71.0 -37.17 64.4 Favored Glycine 0 N--CA 1.451 -0.325 0 C-N-CA 120.777 -0.725 . . . . 55.3 112.52 179.995 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 10' ' ' THR . . . . . 0.731 ' HB ' ' HB3' ' A' ' 7' ' ' ALA . 3.3 m -70.91 -25.78 62.92 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-O 120.776 0.322 . . . . 73.32 111.157 -179.892 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 11' ' ' ALA . . . . . 0.636 ' O ' HG23 ' A' ' 15' ' ' VAL . . . -51.01 -38.73 53.08 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.209 -0.451 . . . . 60.33 111.093 179.872 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 39.9 mt-10 -71.8 -33.56 68.65 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.227 -0.442 . . . . 71.02 110.861 -179.898 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 32.9 tttt -69.27 -54.5 14.35 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.183 -0.462 . . . . 50.42 110.902 179.935 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 15.4 m -52.76 -41.16 37.89 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.264 0 CA-C-N 116.234 -0.439 . . . . 62.31 111.144 179.911 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 15' ' ' VAL . . . . . 0.636 HG23 ' O ' ' A' ' 11' ' ' ALA . 72.5 t -61.12 -42.81 94.67 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.133 -0.485 . . . . 64.13 111.148 179.893 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 3.2 t -53.48 -34.94 59.88 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.19 -0.459 . . . . 75.1 110.868 -179.879 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 3.0 mm? -71.54 -28.88 64.18 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.12 -0.491 . . . . 72.33 110.894 -179.959 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 18' ' ' ILE . . . . . . . . . . . . . 21.4 mt -65.3 -48.12 84.58 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.217 -0.447 . . . . 70.51 111.128 179.849 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 10.2 t-20 -58.37 -22.79 54.93 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.178 -0.464 . . . . 74.2 110.866 179.937 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -64.87 -20.01 66.2 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.179 -0.464 . . . . 73.13 111.123 179.869 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . 82.82 83.08 0.89 Allowed Glycine 0 N--CA 1.452 -0.271 0 C-N-CA 120.759 -0.734 . . . . 71.14 112.468 -179.987 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 8.9 mt -160.2 162.08 33.72 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.912 0.387 . . . . 64.34 110.875 -179.924 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 1.3 p -77.15 157.11 31.15 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.203 -0.453 . . . . 73.33 111.124 179.958 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 18.8 m -51.4 -30.26 10.38 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.194 -0.457 . . . . 72.12 111.075 179.954 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . -53.05 -41.7 60.37 Favored Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 120.727 -0.749 . . . . 63.1 112.495 179.982 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 24.1 t -63.6 -27.92 69.57 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.835 0.35 . . . . 74.33 110.878 -179.775 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 36.7 mm -62.92 -53.5 45.86 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.134 -0.485 . . . . 63.33 111.088 179.965 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 28' ' ' ILE . . . . . 0.659 HG23 ' OG1' ' A' ' 35' ' ' THR . 65.2 mt -60.23 -32.92 51.84 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.164 -0.471 . . . . 62.14 111.158 179.885 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 2.6 m -55.56 -41.68 73.62 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.156 -0.475 . . . . 70.02 110.885 -179.926 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 30' ' ' ILE . . . . . . . . . . . . . 75.6 mt -77.27 -46.12 28.81 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.103 -0.498 . . . . 64.03 111.111 179.963 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 4.1 mm? -54.49 -41.97 70.21 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.179 -0.464 . . . . 75.5 110.909 179.91 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . 57.51 43.75 93.99 Favored Glycine 0 N--CA 1.451 -0.323 0 C-N-CA 120.78 -0.724 . . . . 44.13 112.502 179.93 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -144.14 -173.3 15.45 Favored Glycine 0 N--CA 1.451 -0.34 0 C-N-CA 120.71 -0.757 . . . . 62.1 112.47 -179.94 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 34' ' ' VAL . . . . . . . . . . . . . 15.7 t -77.66 59.39 0.12 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-O 120.943 0.401 . . . . 70.4 111.099 -179.899 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 35' ' ' THR . . . . . 0.659 ' OG1' HG23 ' A' ' 28' ' ' ILE . 0.6 OUTLIER -86.95 7.01 29.3 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.146 -0.479 . . . . 64.32 111.149 -179.968 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 36' ' ' VAL . . . . . . . . . . . . . 54.6 t -57.7 98.79 0.06 OUTLIER 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.189 -0.459 . . . . 71.11 111.12 179.916 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 143.11 -52.06 0.64 Allowed Glycine 0 N--CA 1.452 -0.252 0 C-N-CA 120.732 -0.747 . . . . 71.05 112.457 179.96 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 38' ' ' LEU . . . . . 0.572 HD23 HD11 ' A' ' 6' ' ' ILE . 7.8 mp -58.6 -23.07 57.98 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-O 120.804 0.335 . . . . 75.23 110.899 -179.862 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 39' ' ' SER . . . . . 0.47 ' OG ' HD11 ' A' ' 28' ' ' ILE . 1.7 m -56.1 -25.37 45.39 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.211 -0.45 . . . . 72.33 110.849 -179.942 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . -74.16 -32.29 58.54 Favored Glycine 0 N--CA 1.452 -0.294 0 C-N-CA 120.739 -0.743 . . . . 40.33 112.505 -179.997 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 41' ' ' VAL . . . . . 0.638 ' O ' HG23 ' A' ' 45' ' ' VAL . 35.5 m -93.35 -24.67 5.09 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-O 120.857 0.36 . . . . 63.14 111.086 -179.939 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 42' ' ' PHE . . . . . . . . . . . . . 24.1 t80 -55.56 -56.02 25.2 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.216 -0.447 . . . . 70.43 110.873 -179.991 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 5.4 t -56.49 -39.06 72.63 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.169 -0.468 . . . . 72.55 111.169 -179.915 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -63.6 -36.41 83.72 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.216 -0.447 . . . . 43.01 111.07 179.904 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 45' ' ' VAL . . . . . 0.638 HG23 ' O ' ' A' ' 41' ' ' VAL . 88.7 t -69.64 -35.34 65.45 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.223 -0.444 . . . . 61.14 111.111 179.993 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 1.4 ttmp? -57.75 -51.48 69.39 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.175 -0.466 . . . . 64.03 110.92 179.887 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -57.02 -31.78 65.49 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.252 -0.431 . . . . 74.32 111.105 179.852 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 48' ' ' ALA . . . . . 0.409 ' HB3' ' O ' ' A' ' 45' ' ' VAL . . . -57.82 -30.21 65.54 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.229 -0.442 . . . . 61.13 111.073 179.936 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 49' ' ' ILE . . . . . . . . . . . . . 78.0 mt -56.38 -55.97 16.13 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-N 116.216 -0.447 . . . . 65.23 111.125 -179.988 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -62.74 -24.21 67.58 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.176 -0.465 . . . . 44.13 111.102 179.812 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 22.7 tttm -76.99 -44.68 30.1 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.179 -0.464 . . . . 61.54 110.908 179.987 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 52' ' ' GLN . . . . . . . . . . . . . 28.5 mt-30 -122.35 -74.63 0.61 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.226 -0.443 . . . . 62.04 110.902 179.963 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . 175.79 153.88 10.88 Favored Glycine 0 N--CA 1.451 -0.328 0 C-N-CA 120.715 -0.755 . . . . 73.31 112.47 -179.953 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 54' ' ' ILE . . . . . . . . . . . . . 16.5 pt -51.71 -35.55 17.64 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-O 120.919 0.39 . . . . 73.55 111.147 179.99 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 12.2 ptmm? -53.19 -47.03 69.21 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.15 -0.477 . . . . 70.2 110.881 179.857 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 17.0 mmmt -66.21 -34.31 77.73 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.263 -0.426 . . . . 62.25 110.897 179.869 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -57.47 -33.56 68.11 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.212 -0.449 . . . . 73.35 111.093 179.817 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 58' ' ' ILE . . . . . 0.575 ' O ' HG23 ' A' ' 2' ' ' VAL . 79.9 mt -60.45 -60.05 3.19 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.201 -0.454 . . . . 63.34 111.119 -179.991 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 59' ' ' GLN . . . . . . . . . . . . . 31.1 mt-30 -59.73 -26.99 66.09 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.205 -0.452 . . . . 62.24 110.889 179.947 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 2.7 mt . . . . . 0 C--N 1.328 -0.349 0 CA-C-N 116.224 -0.443 . . . . 74.02 110.958 179.971 . . . . . . . . 0 0 . 1 . 012 nuclear nobuild core ' A' A ' 1' ' ' LEU . . . . . 0.665 HD12 HG21 ' A' ' 45' ' ' VAL . 7.0 mp . . . . . 0 C--O 1.231 0.119 0 CA-C-O 120.816 0.341 . . . . 74.32 110.925 . . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 2' ' ' VAL . . . . . 0.587 HG22 ' HA ' ' A' ' 8' ' ' GLN . 39.0 t -63.22 -49.51 82.85 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.212 -0.449 . . . . 62.31 111.122 179.84 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . -64.28 -29.22 70.31 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.221 -0.445 . . . . 74.4 111.129 179.85 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 4' ' ' TYR . . . . . 0.61 ' CE2' HD22 ' A' ' 60' ' ' LEU . 0.9 OUTLIER -74.06 -51.09 16.86 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.186 -0.461 . . . . 73.34 110.943 -179.849 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . 161.38 -24.46 0.24 Allowed Glycine 0 N--CA 1.451 -0.34 0 C-N-CA 120.767 -0.73 . . . . 45.15 112.469 179.943 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 6' ' ' ILE . . . . . 0.65 HD13 ' HG ' ' A' ' 1' ' ' LEU . 2.7 mp -63.23 137.08 25.25 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-O 120.859 0.361 . . . . 74.31 111.15 -179.979 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 7' ' ' ALA . . . . . 0.465 ' O ' ' HB2' ' A' ' 11' ' ' ALA . . . -51.21 142.08 13.49 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.215 -0.448 . . . . 65.05 111.135 179.807 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 8' ' ' GLN . . . . . 0.587 ' HA ' HG22 ' A' ' 2' ' ' VAL . 33.0 tt0 -67.6 -48.72 66.01 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.23 -0.441 . . . . 75.31 110.936 -179.97 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -54.55 -48.32 65.81 Favored Glycine 0 N--CA 1.452 -0.298 0 C-N-CA 120.732 -0.747 . . . . 72.43 112.5 -179.988 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 10' ' ' THR . . . . . 0.458 HG22 HG13 ' A' ' 14' ' ' VAL . 69.2 m -76.97 -25.94 53.36 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-O 120.78 0.324 . . . . 72.23 111.13 -179.825 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 11' ' ' ALA . . . . . 0.753 ' O ' HG23 ' A' ' 15' ' ' VAL . . . -51.61 -39.28 57.71 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.174 -0.466 . . . . 45.43 111.078 179.881 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 4.3 tt0 -72.08 -33.25 67.75 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.238 -0.437 . . . . 73.12 110.863 -179.895 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 33.3 mtmt -69.43 -54.2 15.54 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.212 -0.449 . . . . 54.4 110.895 179.975 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 14' ' ' VAL . . . . . 0.458 HG13 HG22 ' A' ' 10' ' ' THR . 17.1 m -52.11 -34.99 18.34 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.237 -0.438 . . . . 65.33 111.113 179.876 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 15' ' ' VAL . . . . . 0.753 HG23 ' O ' ' A' ' 11' ' ' ALA . 54.2 t -55.51 -47.21 78.81 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.206 -0.452 . . . . 64.34 111.136 179.926 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 22.9 t -53.52 -33.44 54.49 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.171 -0.468 . . . . 63.12 110.846 -179.818 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -71.35 -30.41 66.14 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.098 -0.501 . . . . 64.43 110.927 179.958 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 18' ' ' ILE . . . . . . . . . . . . . 22.4 mt -65.42 -50.01 75.11 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.352 0 CA-C-N 116.213 -0.449 . . . . 75.21 111.092 179.891 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 11.4 t-20 -58.91 -21.6 58.03 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.218 -0.447 . . . . 73.23 110.897 179.9 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -64.81 -20.06 66.18 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.167 -0.469 . . . . 64.42 111.114 179.874 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . 91.46 77.71 1.36 Allowed Glycine 0 N--CA 1.451 -0.323 0 C-N-CA 120.757 -0.735 . . . . 64.51 112.54 -179.946 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 22' ' ' LEU . . . . . 0.466 HD22 ' OG ' ' A' ' 26' ' ' SER . 9.1 mt -160.17 144.85 14.66 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.934 0.397 . . . . 72.25 110.895 -179.899 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 69.3 p -76.65 165.47 24.72 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.154 -0.475 . . . . 73.03 111.175 179.947 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 18.6 m -51.48 -30.35 10.77 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.266 -0.425 . . . . 64.33 111.142 179.936 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . -53.22 -36.78 53.38 Favored Glycine 0 N--CA 1.451 -0.339 0 C-N-CA 120.728 -0.748 . . . . 53.21 112.472 -179.992 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 26' ' ' SER . . . . . 0.466 ' OG ' HD22 ' A' ' 22' ' ' LEU . 1.8 m -70.51 -28.03 64.65 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.799 0.333 . . . . 71.21 110.825 -179.735 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 47.6 mm -67.9 -49.34 69.76 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.175 -0.466 . . . . 71.34 111.111 179.948 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 28' ' ' ILE . . . . . 0.611 HD11 ' HB2' ' A' ' 39' ' ' SER . 42.1 mt -51.97 -32.91 15.53 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.177 -0.465 . . . . 72.25 111.136 179.867 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 22.5 m -58.66 -36.71 74.58 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.223 -0.444 . . . . 55.22 110.873 -179.931 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 30' ' ' ILE . . . . . . . . . . . . . 48.7 mt -77.26 -61.04 1.84 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.095 -0.502 . . . . 74.1 111.119 179.967 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 88.1 mt -53.76 -27.97 31.82 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.188 -0.46 . . . . 74.31 110.924 179.911 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . 91.84 13.08 58.44 Favored Glycine 0 N--CA 1.451 -0.305 0 C-N-CA 120.691 -0.766 . . . . 75.41 112.492 179.916 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . 52.17 35.9 43.15 Favored Glycine 0 N--CA 1.451 -0.303 0 C-N-CA 120.754 -0.736 . . . . 54.13 112.495 -179.899 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 34' ' ' VAL . . . . . . . . . . . . . 12.4 p -78.26 -31.08 16.02 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.261 0 CA-C-O 120.925 0.393 . . . . 61.24 111.128 -179.933 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 35' ' ' THR . . . . . 0.404 HG21 HD13 ' A' ' 38' ' ' LEU . 9.7 t -86.79 -36.47 18.53 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.171 -0.468 . . . . 65.31 111.121 -179.974 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 36' ' ' VAL . . . . . . . . . . . . . 21.3 t 51.0 63.43 0.21 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.249 -0.432 . . . . 74.24 111.12 179.916 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . -179.32 -34.98 0.06 OUTLIER Glycine 0 N--CA 1.452 -0.261 0 C-N-CA 120.748 -0.739 . . . . 74.41 112.494 -179.994 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 38' ' ' LEU . . . . . 0.404 HD13 HG21 ' A' ' 35' ' ' THR . 7.4 mp -58.24 -23.26 55.35 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.801 0.334 . . . . 72.14 110.896 -179.884 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 39' ' ' SER . . . . . 0.611 ' HB2' HD11 ' A' ' 28' ' ' ILE . 6.5 t -65.22 -24.52 67.37 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.235 -0.439 . . . . 74.24 110.882 -179.952 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . -79.42 -30.25 46.04 Favored Glycine 0 N--CA 1.451 -0.364 0 C-N-CA 120.794 -0.717 . . . . 63.24 112.494 179.994 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 41' ' ' VAL . . . . . 0.518 ' O ' HG23 ' A' ' 45' ' ' VAL . 18.9 m -93.11 -24.09 5.31 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-O 120.889 0.376 . . . . 72.44 111.133 -179.95 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 42' ' ' PHE . . . . . . . . . . . . . 5.0 t80 -62.87 -44.09 97.05 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.16 -0.473 . . . . 75.41 110.861 -179.912 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -57.55 -40.78 79.62 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.12 -0.491 . . . . 74.11 111.142 -179.884 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -65.37 -37.25 86.46 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.217 -0.447 . . . . 64.33 111.122 179.856 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 45' ' ' VAL . . . . . 0.665 HG21 HD12 ' A' ' 1' ' ' LEU . 92.3 t -65.91 -33.32 62.78 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-N 116.198 -0.456 . . . . 70.02 111.155 179.979 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 41.6 tptt -55.89 -52.91 62.41 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.182 -0.463 . . . . 74.34 110.917 179.878 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -62.93 -30.2 71.37 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.237 -0.438 . . . . 65.33 111.08 179.811 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -63.23 -42.87 99.3 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.24 -0.436 . . . . 72.45 111.087 179.974 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 49' ' ' ILE . . . . . 0.482 HG12 ' HB2' ' A' ' 57' ' ' ALA . 59.1 mt -56.42 -55.93 16.43 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.198 -0.455 . . . . 64.41 111.14 179.963 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -65.01 -21.71 66.89 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.179 -0.464 . . . . 51.34 111.064 179.843 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 1.2 mmmm -76.98 -60.96 2.14 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.224 -0.444 . . . . 75.11 110.893 -179.995 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 52' ' ' GLN . . . . . . . . . . . . . 28.3 mm-40 -105.8 -63.89 1.21 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.251 -0.431 . . . . 71.3 110.892 179.941 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . 168.67 157.94 12.05 Favored Glycine 0 N--CA 1.451 -0.344 0 C-N-CA 120.725 -0.75 . . . . 51.0 112.489 -179.956 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 54' ' ' ILE . . . . . . . . . . . . . 18.3 pt -51.6 -34.68 16.2 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-O 120.897 0.379 . . . . 71.41 111.128 -179.952 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 8.2 ptmt -53.97 -46.33 71.62 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.177 -0.465 . . . . 75.34 110.85 179.871 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -66.32 -32.75 74.34 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.286 -0.415 . . . . 65.5 110.877 179.904 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 57' ' ' ALA . . . . . 0.482 ' HB2' HG12 ' A' ' 49' ' ' ILE . . . -58.25 -33.58 69.52 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.245 -0.434 . . . . 74.12 111.116 179.806 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 58' ' ' ILE . . . . . 0.583 ' O ' HG23 ' A' ' 2' ' ' VAL . 79.3 mt -61.12 -59.48 4.2 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.241 -0.436 . . . . 60.34 111.129 -179.997 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 59' ' ' GLN . . . . . . . . . . . . . 0.3 OUTLIER -51.92 -32.53 33.19 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.148 -0.478 . . . . 54.13 110.886 179.956 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 60' ' ' LEU . . . . . 0.61 HD22 ' CE2' ' A' ' 4' ' ' TYR . 1.1 mt . . . . . 0 C--N 1.328 -0.334 0 CA-C-N 116.236 -0.438 . . . . 71.33 110.926 -180.0 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 1' ' ' LEU . . . . . 0.655 ' CD2' HG11 ' A' ' 45' ' ' VAL . 4.4 mm? . . . . . 0 C--O 1.231 0.124 0 CA-C-O 120.841 0.353 . . . . 74.34 110.953 . . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 2' ' ' VAL . . . . . 0.444 HG23 ' O ' ' A' ' 58' ' ' ILE . 90.9 t -63.02 -49.56 83.04 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.172 -0.467 . . . . 70.11 111.154 179.794 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . -64.1 -31.15 72.23 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.18 -0.464 . . . . 65.35 111.107 179.89 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 4' ' ' TYR . . . . . 0.555 ' CE2' HD22 ' A' ' 60' ' ' LEU . 1.0 OUTLIER -74.1 -49.87 22.03 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.201 -0.454 . . . . 71.22 110.918 -179.837 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 5' ' ' GLY . . . . . 0.501 ' O ' HD13 ' A' ' 6' ' ' ILE . . . 159.15 58.38 0.01 OUTLIER Glycine 0 N--CA 1.451 -0.3 0 C-N-CA 120.733 -0.746 . . . . 72.01 112.449 179.955 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 6' ' ' ILE . . . . . 0.566 HG13 HD12 ' A' ' 1' ' ' LEU . 46.8 mm -140.56 143.8 28.43 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-O 120.831 0.348 . . . . 75.54 111.148 179.982 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 7' ' ' ALA . . . . . 0.766 ' HB3' ' HB ' ' A' ' 10' ' ' THR . . . -54.06 151.53 6.82 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.162 -0.472 . . . . 54.44 111.164 179.784 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 21.9 tt0 -64.25 -56.98 10.86 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.263 -0.426 . . . . 73.11 110.924 -179.923 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -71.06 -27.05 72.71 Favored Glycine 0 N--CA 1.451 -0.352 0 C-N-CA 120.728 -0.749 . . . . 25.34 112.463 -179.957 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 10' ' ' THR . . . . . 0.766 ' HB ' ' HB3' ' A' ' 7' ' ' ALA . 35.0 m -75.25 -47.27 28.88 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.791 0.329 . . . . 55.03 111.133 -179.881 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 11' ' ' ALA . . . . . 0.7 ' O ' HG23 ' A' ' 15' ' ' VAL . . . -51.53 -30.96 22.31 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.201 -0.454 . . . . 63.33 111.097 179.915 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 7.0 tt0 -69.62 -53.38 19.01 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.197 -0.456 . . . . 61.41 110.912 -179.933 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 44.3 tttm -62.92 -41.65 99.53 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.121 -0.49 . . . . 74.52 110.926 179.952 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 14' ' ' VAL . . . . . 0.69 HG23 ' O ' ' A' ' 10' ' ' THR . 99.0 t -53.12 -34.86 22.07 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.266 0 CA-C-N 116.196 -0.456 . . . . 65.11 111.098 179.914 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 15' ' ' VAL . . . . . 0.7 HG23 ' O ' ' A' ' 11' ' ' ALA . 92.2 t -55.43 -40.89 60.16 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.194 -0.457 . . . . 50.42 111.163 179.882 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 5.1 t -61.01 -32.2 71.8 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.16 -0.473 . . . . 44.23 110.856 -179.906 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 1.4 mp -71.32 -31.38 67.33 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.138 -0.483 . . . . 73.51 110.932 -179.954 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 18' ' ' ILE . . . . . . . . . . . . . 29.9 mt -65.22 -48.17 84.57 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.162 -0.472 . . . . 71.01 111.161 179.803 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 18.0 t-20 -57.96 -29.43 65.2 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.176 -0.466 . . . . 60.54 110.889 179.917 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -65.04 -20.06 66.3 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.205 -0.452 . . . . 71.31 111.114 179.905 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . 87.86 18.76 55.68 Favored Glycine 0 N--CA 1.451 -0.361 0 C-N-CA 120.715 -0.755 . . . . 63.22 112.546 -179.942 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 13.4 mt -74.89 154.09 38.35 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 120.894 0.378 . . . . 61.32 110.909 -179.918 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 1.9 p -76.73 139.27 40.39 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.184 -0.462 . . . . 74.12 111.117 179.952 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 24' ' ' VAL . . . . . 0.639 HG12 ' CD1' ' A' ' 42' ' ' PHE . 19.1 m -51.46 -30.53 10.94 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.204 -0.453 . . . . 71.01 111.095 179.906 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . -54.22 -32.68 51.17 Favored Glycine 0 N--CA 1.451 -0.309 0 C-N-CA 120.745 -0.74 . . . . 54.31 112.482 -179.996 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 6.0 p -67.79 -28.14 67.34 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.847 0.356 . . . . 73.14 110.87 -179.731 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 27' ' ' ILE . . . . . 0.705 ' HA ' HD12 ' A' ' 30' ' ' ILE . 43.0 mm -60.3 -41.83 88.48 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.158 -0.474 . . . . 62.54 111.161 179.875 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 28' ' ' ILE . . . . . 0.578 HG23 ' OG1' ' A' ' 35' ' ' THR . 62.0 mt -60.36 -45.72 96.14 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 116.137 -0.483 . . . . 65.24 111.157 179.876 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 15.7 m -57.32 -30.89 65.14 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.149 -0.478 . . . . 62.21 110.895 -179.93 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 30' ' ' ILE . . . . . 0.705 HD12 ' HA ' ' A' ' 27' ' ' ILE . 47.4 mt -70.04 -60.95 1.91 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.081 -0.509 . . . . 74.32 111.084 179.992 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 4.3 mm? -55.21 -42.12 72.89 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.184 -0.462 . . . . 73.41 110.939 179.896 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . 51.75 28.51 23.35 Favored Glycine 0 N--CA 1.451 -0.333 0 C-N-CA 120.762 -0.733 . . . . 31.14 112.474 179.861 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -129.63 61.16 0.66 Allowed Glycine 0 N--CA 1.451 -0.309 0 C-N-CA 120.693 -0.765 . . . . 72.41 112.504 -179.911 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 34' ' ' VAL . . . . . . . . . . . . . 11.7 t 49.55 54.96 0.36 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-O 120.944 0.402 . . . . 73.43 111.142 -179.94 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 35' ' ' THR . . . . . 0.806 HG22 HD12 ' A' ' 38' ' ' LEU . 0.1 OUTLIER -87.04 7.47 27.58 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.177 -0.465 . . . . 54.4 111.104 -179.943 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 36' ' ' VAL . . . . . 0.42 HG23 ' O ' ' A' ' 36' ' ' VAL . 4.8 m -55.04 100.61 0.05 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.261 -0.427 . . . . 73.42 111.171 179.874 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 140.94 -41.47 1.26 Allowed Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 120.774 -0.727 . . . . 74.4 112.503 -179.977 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 38' ' ' LEU . . . . . 0.806 HD12 HG22 ' A' ' 35' ' ' THR . 74.8 mt -65.43 -18.27 65.19 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.866 0.365 . . . . 52.32 110.971 -179.934 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 39' ' ' SER . . . . . 0.414 ' HB3' HD11 ' A' ' 28' ' ' ILE . 13.4 p -69.25 -39.8 78.23 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.139 -0.482 . . . . 55.51 110.853 -179.911 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . -65.17 -22.34 68.92 Favored Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 120.733 -0.746 . . . . 53.5 112.485 -179.937 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 41' ' ' VAL . . . . . 0.593 ' O ' HG23 ' A' ' 45' ' ' VAL . 6.2 p -101.85 -23.35 4.41 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-O 120.844 0.354 . . . . 72.24 111.162 179.972 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 42' ' ' PHE . . . . . 0.639 ' CD1' HG12 ' A' ' 24' ' ' VAL . 11.2 t80 -58.89 -49.3 78.31 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.2 -0.454 . . . . 71.13 110.929 179.98 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 85.2 m -57.94 -44.18 86.78 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.104 -0.498 . . . . 64.12 111.15 -179.977 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -59.5 -36.64 76.46 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.242 -0.436 . . . . 35.14 111.097 179.889 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 45' ' ' VAL . . . . . 0.728 HG13 HD13 ' A' ' 60' ' ' LEU . 72.1 t -70.76 -32.84 50.4 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.237 -0.438 . . . . 72.2 111.107 -179.977 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 2.2 ttpm? -52.04 -52.79 48.6 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.154 -0.475 . . . . 75.44 110.896 179.94 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -63.3 -30.01 71.22 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.231 -0.44 . . . . 73.22 111.114 179.804 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 48' ' ' ALA . . . . . 0.459 ' HB3' ' O ' ' A' ' 45' ' ' VAL . . . -57.29 -28.93 63.46 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.237 -0.438 . . . . 53.3 111.079 179.928 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 49' ' ' ILE . . . . . 0.631 HG12 ' HB2' ' A' ' 57' ' ' ALA . 53.0 mt -56.45 -55.8 17.17 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.26 -0.427 . . . . 72.45 111.142 179.996 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -62.19 -23.93 66.91 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.223 -0.444 . . . . 73.54 111.136 179.771 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -76.97 -49.44 15.47 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.242 -0.436 . . . . 71.32 110.93 179.958 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 52' ' ' GLN . . . . . . . . . . . . . 28.4 mm-40 -108.17 -70.98 0.78 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.208 -0.451 . . . . 64.2 110.939 179.921 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . 169.57 156.45 10.88 Favored Glycine 0 N--CA 1.451 -0.303 0 C-N-CA 120.793 -0.718 . . . . 75.53 112.556 -179.965 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 54' ' ' ILE . . . . . 0.521 ' HA ' HG23 ' A' ' 49' ' ' ILE . 51.3 mt -53.81 -43.35 56.18 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-O 120.929 0.395 . . . . 54.54 111.16 179.971 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 8.8 ptpp? -56.73 -43.55 80.76 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.14 -0.482 . . . . 62.5 110.883 179.901 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -65.22 -29.86 70.7 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.2 -0.454 . . . . 73.25 110.913 179.862 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 57' ' ' ALA . . . . . 0.631 ' HB2' HG12 ' A' ' 49' ' ' ILE . . . -59.71 -41.28 90.44 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.198 -0.455 . . . . 73.21 111.102 179.807 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 58' ' ' ILE . . . . . 0.444 ' O ' HG23 ' A' ' 2' ' ' VAL . 61.3 mt -56.56 -58.0 7.12 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.179 -0.464 . . . . 53.42 111.165 179.992 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 59' ' ' GLN . . . . . . . . . . . . . 10.3 mm100 -53.51 -32.42 50.31 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.168 -0.469 . . . . 74.31 110.923 179.943 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 60' ' ' LEU . . . . . 0.728 HD13 HG13 ' A' ' 45' ' ' VAL . 1.3 mt . . . . . 0 C--N 1.328 -0.36 0 CA-C-N 116.185 -0.461 . . . . 72.51 110.911 179.973 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 1' ' ' LEU . . . . . 0.708 HD12 HG13 ' A' ' 6' ' ' ILE . 4.3 mm? . . . . . 0 C--O 1.231 0.104 0 CA-C-O 120.854 0.359 . . . . 73.35 110.961 . . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 2' ' ' VAL . . . . . 0.691 HG22 ' HA ' ' A' ' 8' ' ' GLN . 66.7 t -60.41 -51.41 73.29 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.18 -0.464 . . . . 62.14 111.111 179.83 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . -64.95 -27.22 68.69 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.209 -0.45 . . . . 73.12 111.108 179.891 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 4' ' ' TYR . . . . . . . . . . . . . 2.3 m-85 -73.92 -50.98 17.58 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.206 -0.452 . . . . 72.21 110.909 -179.831 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . 163.05 -26.18 0.22 Allowed Glycine 0 N--CA 1.452 -0.292 0 C-N-CA 120.708 -0.758 . . . . 61.42 112.486 179.958 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 6' ' ' ILE . . . . . 0.708 HG13 HD12 ' A' ' 1' ' ' LEU . 48.1 mm -61.49 138.94 21.34 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-O 120.779 0.323 . . . . 73.02 111.149 -179.962 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -51.45 143.16 12.38 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.169 -0.469 . . . . 64.3 111.087 179.819 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 8' ' ' GLN . . . . . 0.691 ' HA ' HG22 ' A' ' 2' ' ' VAL . 26.6 tt0 -67.97 -56.94 7.13 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.215 -0.448 . . . . 62.33 110.894 -179.903 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -52.17 -42.31 55.17 Favored Glycine 0 N--CA 1.451 -0.341 0 C-N-CA 120.745 -0.741 . . . . 65.34 112.501 179.984 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 27.4 m -77.03 -25.7 52.87 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-O 120.758 0.313 . . . . 72.43 111.141 -179.847 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 11' ' ' ALA . . . . . 0.655 ' O ' HG23 ' A' ' 15' ' ' VAL . . . -50.79 -39.02 51.62 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.195 -0.457 . . . . 61.54 111.106 179.927 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 3.3 tt0 -71.89 -33.86 68.69 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.227 -0.442 . . . . 75.53 110.874 -179.961 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 34.9 mttm -69.45 -54.45 14.26 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.126 -0.488 . . . . 63.52 110.92 179.963 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 14' ' ' VAL . . . . . 0.406 HG13 ' N ' ' A' ' 15' ' ' VAL . 4.1 p -52.74 -43.07 43.77 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.216 -0.447 . . . . 65.24 111.127 179.892 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 15' ' ' VAL . . . . . 0.655 HG23 ' O ' ' A' ' 11' ' ' ALA . 55.6 t -55.4 -45.76 78.25 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.148 -0.478 . . . . 53.2 111.139 179.915 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 1.3 t -57.04 -32.55 66.31 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.203 -0.453 . . . . 43.13 110.925 -179.911 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 17' ' ' LEU . . . . . 0.485 HD12 HD12 ' A' ' 22' ' ' LEU . 2.4 mm? -71.54 -27.67 63.34 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.116 -0.493 . . . . 70.51 110.932 179.955 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 18' ' ' ILE . . . . . 0.404 HD11 ' CZ ' ' A' ' 42' ' ' PHE . 19.7 mt -63.26 -46.85 94.62 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.227 -0.442 . . . . 64.13 111.136 179.833 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 13.1 t-20 -58.83 -21.91 57.65 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.21 -0.45 . . . . 73.0 110.864 179.926 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 20' ' ' ALA . . . . . 0.433 ' HB3' ' O ' ' A' ' 17' ' ' LEU . . . -64.9 -20.09 66.26 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.212 -0.449 . . . . 62.42 111.105 179.903 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . 102.96 -5.31 50.16 Favored Glycine 0 N--CA 1.451 -0.303 0 C-N-CA 120.712 -0.756 . . . . 42.13 112.495 -179.959 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 22' ' ' LEU . . . . . 0.632 HD22 ' CB ' ' A' ' 26' ' ' SER . 75.3 mt -67.68 126.29 28.91 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-O 120.923 0.392 . . . . 51.13 110.895 -179.909 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 5.8 p -76.75 173.19 11.95 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.142 -0.481 . . . . 71.01 111.135 179.959 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 24' ' ' VAL . . . . . 0.539 HG12 ' HB3' ' A' ' 42' ' ' PHE . 22.1 m -51.4 -30.33 10.46 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.231 -0.44 . . . . 73.43 111.133 179.932 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . -64.36 -43.1 97.32 Favored Glycine 0 N--CA 1.451 -0.328 0 C-N-CA 120.762 -0.732 . . . . 71.03 112.485 179.939 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 26' ' ' SER . . . . . 0.632 ' CB ' HD22 ' A' ' 22' ' ' LEU . 2.4 m -70.7 -32.22 69.37 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.824 0.345 . . . . 72.02 110.871 -179.741 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 42.7 mm -60.55 -54.9 28.76 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-N 116.15 -0.477 . . . . 74.03 111.147 179.896 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 28' ' ' ILE . . . . . . . . . . . . . 50.3 mm -53.63 -34.42 24.14 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.169 -0.469 . . . . 72.15 111.154 179.881 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 34.2 t -62.87 -33.03 74.42 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.119 -0.491 . . . . 62.43 110.881 -179.931 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 30' ' ' ILE . . . . . . . . . . . . . 50.1 mm -70.07 -25.17 27.19 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.156 -0.475 . . . . 75.33 111.132 179.947 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 4.1 tp -82.47 -25.76 33.26 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.192 -0.458 . . . . 74.41 110.89 179.914 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . 127.96 -21.59 5.54 Favored Glycine 0 N--CA 1.451 -0.346 0 C-N-CA 120.805 -0.712 . . . . 70.4 112.514 179.899 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 33' ' ' GLY . . . . . 0.429 ' O ' HG23 ' A' ' 36' ' ' VAL . . . 94.83 -4.65 68.71 Favored Glycine 0 N--CA 1.452 -0.292 0 C-N-CA 120.756 -0.735 . . . . 75.01 112.514 -179.907 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 34' ' ' VAL . . . . . . . . . . . . . 18.0 m -74.0 -8.8 12.19 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-O 120.884 0.373 . . . . 75.24 111.108 -179.997 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 35' ' ' THR . . . . . 0.611 HG21 HD12 ' A' ' 38' ' ' LEU . 0.0 OUTLIER -78.8 -69.82 0.54 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.233 -0.44 . . . . 75.42 111.113 -179.978 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 36' ' ' VAL . . . . . 0.429 HG23 ' O ' ' A' ' 33' ' ' GLY . 30.3 t 53.11 77.26 0.07 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.196 -0.456 . . . . 62.22 111.113 179.925 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 157.78 -39.2 0.54 Allowed Glycine 0 N--CA 1.451 -0.325 0 C-N-CA 120.749 -0.739 . . . . 73.43 112.533 179.975 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 38' ' ' LEU . . . . . 0.611 HD12 HG21 ' A' ' 35' ' ' THR . 0.9 OUTLIER -58.63 -25.34 62.6 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.795 0.331 . . . . 63.42 110.892 -179.933 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -54.81 -30.96 58.53 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.172 -0.467 . . . . 71.03 110.851 -179.892 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . -75.39 -21.78 76.91 Favored Glycine 0 N--CA 1.451 -0.305 0 C-N-CA 120.76 -0.733 . . . . 52.35 112.472 -179.999 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 41' ' ' VAL . . . . . 0.605 ' O ' HG23 ' A' ' 45' ' ' VAL . 98.5 t -93.56 -31.56 4.58 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-O 120.869 0.366 . . . . 75.32 111.152 -179.966 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 42' ' ' PHE . . . . . 0.539 ' HB3' HG12 ' A' ' 24' ' ' VAL . 5.4 t80 -65.04 -48.34 74.18 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.141 -0.482 . . . . 63.51 110.839 -179.963 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 43' ' ' THR . . . . . 0.423 ' HB ' HG11 ' A' ' 24' ' ' VAL . 4.4 t -54.07 -40.92 67.63 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.118 -0.492 . . . . 73.15 111.175 -179.905 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -66.45 -36.64 83.27 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.208 -0.451 . . . . 64.22 111.096 179.867 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 45' ' ' VAL . . . . . 0.679 HG11 HD21 ' A' ' 1' ' ' LEU . 93.6 t -70.9 -36.69 65.13 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.191 -0.459 . . . . 74.24 111.137 179.971 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 11.7 tttp -51.88 -51.13 58.95 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.184 -0.462 . . . . 74.02 110.953 179.874 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -63.03 -30.5 71.65 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.232 -0.44 . . . . 74.11 111.117 179.793 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 48' ' ' ALA . . . . . 0.424 ' HB3' ' O ' ' A' ' 45' ' ' VAL . . . -59.63 -39.56 84.72 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.225 -0.443 . . . . 61.32 111.08 179.923 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 49' ' ' ILE . . . . . 0.546 HG12 ' HB2' ' A' ' 57' ' ' ALA . 73.6 mt -56.0 -56.01 15.17 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.344 0 CA-C-N 116.253 -0.43 . . . . 72.13 111.117 179.985 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -64.6 -20.55 66.32 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.185 -0.461 . . . . 50.45 111.071 179.854 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -76.85 -59.37 2.8 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.259 -0.428 . . . . 75.33 110.882 179.973 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 52' ' ' GLN . . . . . . . . . . . . . 37.8 mm-40 -100.59 -74.96 0.59 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.184 -0.462 . . . . 74.34 110.909 179.985 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . 175.93 153.91 10.96 Favored Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 120.756 -0.735 . . . . 62.04 112.483 -179.976 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 54' ' ' ILE . . . . . . . . . . . . . 15.8 pt -51.64 -36.02 17.96 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-O 120.847 0.356 . . . . 61.23 111.1 -179.981 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 9.1 ptpp? -57.11 -46.05 82.93 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.203 -0.453 . . . . 60.54 110.92 179.871 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 35.1 mmtm -66.35 -33.04 74.82 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.235 -0.439 . . . . 24.44 110.887 179.846 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 57' ' ' ALA . . . . . 0.546 ' HB2' HG12 ' A' ' 49' ' ' ILE . . . -55.45 -41.12 72.45 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.199 -0.455 . . . . 64.31 111.171 179.842 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 58' ' ' ILE . . . . . 0.511 ' O ' HG23 ' A' ' 2' ' ' VAL . 63.6 mt -56.24 -60.02 2.27 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.207 -0.451 . . . . 73.41 111.15 179.953 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 59' ' ' GLN . . . . . . . . . . . . . 47.7 mt-30 -56.5 -27.29 56.83 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.158 -0.474 . . . . 64.02 110.927 179.921 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER . . . . . 0 C--N 1.329 -0.307 0 CA-C-N 116.195 -0.457 . . . . 61.24 110.944 -179.97 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 1' ' ' LEU . . . . . 0.616 HD23 HG21 ' A' ' 45' ' ' VAL . 10.7 mt . . . . . 0 C--O 1.231 0.101 0 CA-C-O 120.84 0.353 . . . . 75.52 110.866 . . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 2' ' ' VAL . . . . . 0.598 HG22 ' HA ' ' A' ' 8' ' ' GLN . 51.3 t -63.05 -48.97 85.37 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.224 -0.443 . . . . 72.45 111.136 179.857 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . -64.01 -29.96 71.07 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.109 -0.496 . . . . 63.33 111.113 179.856 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 4' ' ' TYR . . . . . 0.573 ' CE2' HG13 ' A' ' 41' ' ' VAL . 0.1 OUTLIER -74.13 -49.34 24.23 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.242 -0.435 . . . . 74.55 110.919 -179.852 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . 161.79 -25.45 0.24 Allowed Glycine 0 N--CA 1.451 -0.307 0 C-N-CA 120.71 -0.757 . . . . 61.3 112.477 179.969 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 6' ' ' ILE . . . . . 0.502 HD12 ' HA ' ' A' ' 1' ' ' LEU . 33.6 mt -56.94 136.88 19.55 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-O 120.843 0.354 . . . . 70.22 111.08 -179.906 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -51.61 134.33 29.84 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.138 -0.483 . . . . 61.21 111.079 179.804 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 8' ' ' GLN . . . . . 0.598 ' HA ' HG22 ' A' ' 2' ' ' VAL . 39.4 tt0 -67.83 -55.09 14.28 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.216 -0.447 . . . . 72.22 110.929 -179.957 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -52.19 -42.67 55.92 Favored Glycine 0 N--CA 1.451 -0.35 0 C-N-CA 120.708 -0.758 . . . . 74.14 112.481 -179.944 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 10' ' ' THR . . . . . 0.699 ' O ' HG23 ' A' ' 14' ' ' VAL . 95.7 m -75.71 -40.43 55.73 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 120.777 0.323 . . . . 70.33 111.141 -179.879 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 11' ' ' ALA . . . . . 0.741 ' O ' HG23 ' A' ' 15' ' ' VAL . . . -51.37 -30.97 20.66 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.222 -0.445 . . . . 55.14 111.117 179.841 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 14.2 tt0 -58.4 -57.08 14.48 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.209 -0.45 . . . . 72.1 110.896 -179.943 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 18.6 ptmt -68.42 -33.87 74.99 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.151 -0.477 . . . . 74.53 110.886 179.981 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 14' ' ' VAL . . . . . 0.699 HG23 ' O ' ' A' ' 10' ' ' THR . 91.7 t -57.39 -35.01 47.81 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.26 -0.427 . . . . 72.44 111.103 179.875 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 15' ' ' VAL . . . . . 0.741 HG23 ' O ' ' A' ' 11' ' ' ALA . 97.7 t -55.36 -48.12 77.22 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.137 -0.483 . . . . 72.45 111.119 179.95 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 18.1 t -53.01 -32.96 49.5 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.166 -0.47 . . . . 74.24 110.846 -179.858 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 17' ' ' LEU . . . . . 0.533 HD23 HD13 ' A' ' 30' ' ' ILE . 1.8 mp -71.36 -33.67 69.77 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.196 -0.456 . . . . 75.52 110.901 -179.983 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 18' ' ' ILE . . . . . . . . . . . . . 28.6 mt -65.22 -49.56 78.37 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.361 0 CA-C-N 116.206 -0.452 . . . . 62.22 111.106 179.843 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 3.2 m120 -57.71 -24.48 57.1 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.201 -0.454 . . . . 61.12 110.87 179.933 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -64.95 -20.08 66.28 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.162 -0.472 . . . . 44.12 111.079 179.892 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . 96.82 12.37 50.38 Favored Glycine 0 N--CA 1.451 -0.301 0 C-N-CA 120.716 -0.754 . . . . 74.23 112.442 -179.997 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 4.2 mm? -74.91 140.25 43.65 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-O 120.917 0.389 . . . . 74.04 110.919 -179.925 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 39.9 p -82.73 160.39 22.35 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.202 -0.453 . . . . 52.21 111.152 179.93 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 24' ' ' VAL . . . . . 0.696 HG21 ' HA ' ' A' ' 39' ' ' SER . 11.8 p -51.42 -30.52 10.81 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.196 -0.456 . . . . 74.34 111.132 179.938 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . -53.07 -43.95 62.58 Favored Glycine 0 N--CA 1.451 -0.338 0 C-N-CA 120.744 -0.741 . . . . 63.34 112.471 179.959 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 1.1 t -69.89 -34.83 74.06 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.809 0.338 . . . . 51.24 110.852 -179.702 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 27' ' ' ILE . . . . . 0.835 ' HA ' HD12 ' A' ' 30' ' ' ILE . 35.3 mm -60.38 -39.1 79.96 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.161 -0.472 . . . . 71.35 111.154 179.905 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 28' ' ' ILE . . . . . 0.495 HG23 ' OG1' ' A' ' 35' ' ' THR . 60.3 mt -60.43 -45.5 96.68 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.179 -0.464 . . . . 73.44 111.104 179.877 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 14.3 t -63.43 -31.41 72.56 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.204 -0.453 . . . . 42.12 110.896 -179.912 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 30' ' ' ILE . . . . . 0.835 HD12 ' HA ' ' A' ' 27' ' ' ILE . 28.4 mt -70.02 -61.13 1.81 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.13 -0.486 . . . . 71.44 111.099 179.937 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 31' ' ' LEU . . . . . 0.767 HD12 HG21 ' A' ' 35' ' ' THR . 61.9 mt -60.79 -42.33 97.37 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.181 -0.463 . . . . 74.11 110.935 179.901 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . 51.48 30.97 27.83 Favored Glycine 0 N--CA 1.451 -0.356 0 C-N-CA 120.804 -0.713 . . . . 71.33 112.476 179.943 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -128.15 70.85 0.5 Allowed Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 120.773 -0.727 . . . . 22.54 112.537 -179.966 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 34' ' ' VAL . . . . . . . . . . . . . 8.5 t 49.41 50.97 0.4 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-O 120.935 0.397 . . . . 65.03 111.132 -179.991 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 35' ' ' THR . . . . . 0.767 HG21 HD12 ' A' ' 31' ' ' LEU . 0.0 OUTLIER -87.49 8.65 23.93 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.191 -0.459 . . . . 72.52 111.192 -179.969 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 36' ' ' VAL . . . . . . . . . . . . . 55.3 t -55.83 -24.78 17.54 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.169 -0.468 . . . . 51.33 111.104 179.932 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . -90.75 -21.35 37.02 Favored Glycine 0 N--CA 1.452 -0.243 0 C-N-CA 120.701 -0.762 . . . . 74.34 112.505 179.98 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 38' ' ' LEU . . . . . 0.472 ' HG ' HG22 ' A' ' 35' ' ' THR . 4.3 mm? -66.2 -17.97 65.06 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.805 0.336 . . . . 72.24 110.911 -179.938 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 39' ' ' SER . . . . . 0.696 ' HA ' HG21 ' A' ' 24' ' ' VAL . 82.7 p -52.61 -29.17 24.51 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.18 -0.463 . . . . 63.53 110.831 -179.883 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . -99.0 -12.21 43.68 Favored Glycine 0 N--CA 1.452 -0.291 0 C-N-CA 120.745 -0.741 . . . . 72.33 112.433 -179.956 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 41' ' ' VAL . . . . . 0.573 HG13 ' CE2' ' A' ' 4' ' ' TYR . 93.7 t -93.26 -59.08 3.23 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-O 120.839 0.352 . . . . 43.43 111.105 -179.959 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 42' ' ' PHE . . . . . . . . . . . . . 2.6 t80 -51.87 -31.3 27.39 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.178 -0.465 . . . . 71.21 110.877 -179.967 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -61.7 -53.36 57.12 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.16 -0.473 . . . . 54.13 111.126 -179.914 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -58.94 -34.93 72.3 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.227 -0.442 . . . . 44.11 111.104 179.883 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 45' ' ' VAL . . . . . 0.616 HG21 HD23 ' A' ' 1' ' ' LEU . 87.4 t -64.76 -46.26 92.66 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.232 -0.44 . . . . 73.22 111.108 179.986 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 7.0 mtpm? -54.97 -45.2 74.95 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.177 -0.465 . . . . 74.35 110.916 179.936 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -63.43 -36.47 83.85 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.209 -0.45 . . . . 73.54 111.073 179.861 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -58.39 -32.28 68.46 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.224 -0.444 . . . . 70.41 111.12 179.937 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 49' ' ' ILE . . . . . . . . . . . . . 78.8 mt -56.15 -55.78 16.7 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.194 -0.457 . . . . 40.12 111.173 179.926 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -64.36 -22.73 67.05 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.119 -0.491 . . . . 74.41 111.053 179.851 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER -76.84 -47.97 19.81 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.223 -0.444 . . . . 70.03 110.95 179.936 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 52' ' ' GLN . . . . . . . . . . . . . 23.2 mm-40 -122.13 -67.53 0.95 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.169 -0.469 . . . . 65.13 110.902 179.98 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . 170.71 156.32 11.31 Favored Glycine 0 N--CA 1.451 -0.307 0 C-N-CA 120.748 -0.739 . . . . 72.04 112.466 -179.976 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 54' ' ' ILE . . . . . . . . . . . . . 16.7 pt -51.7 -35.35 17.36 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-O 120.94 0.4 . . . . 73.03 111.165 -179.994 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -56.56 -42.95 79.46 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.163 -0.471 . . . . 72.34 110.873 179.863 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -66.31 -35.36 80.17 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.226 -0.443 . . . . 71.41 110.931 179.846 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -56.33 -33.93 66.08 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.219 -0.446 . . . . 54.4 111.087 179.86 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 58' ' ' ILE . . . . . 0.551 ' O ' HG23 ' A' ' 2' ' ' VAL . 78.7 mt -56.39 -58.34 5.69 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.219 -0.446 . . . . 72.3 111.088 179.987 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 59' ' ' GLN . . . . . . . . . . . . . 67.6 mt-30 -56.1 -29.72 61.02 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.166 -0.47 . . . . 54.13 110.912 179.962 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER . . . . . 0 C--N 1.329 -0.318 0 CA-C-N 116.212 -0.449 . . . . 75.11 110.931 179.981 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 1' ' ' LEU . . . . . 0.632 HD22 HG13 ' A' ' 6' ' ' ILE . 40.6 mt . . . . . 0 C--O 1.231 0.089 0 CA-C-O 120.893 0.378 . . . . 75.32 110.9 . . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 2' ' ' VAL . . . . . 0.565 HG22 ' HA ' ' A' ' 8' ' ' GLN . 48.5 t -62.99 -49.19 84.54 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.252 0 CA-C-N 116.158 -0.474 . . . . 71.13 111.146 179.867 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . -64.16 -29.17 70.3 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.185 -0.462 . . . . 70.22 111.062 179.892 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 4' ' ' TYR . . . . . 0.586 ' OH ' HG11 ' A' ' 41' ' ' VAL . 0.2 OUTLIER -73.97 -50.99 17.43 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.28 -0.418 . . . . 75.21 110.87 -179.809 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . 163.77 -27.11 0.21 Allowed Glycine 0 N--CA 1.451 -0.351 0 C-N-CA 120.777 -0.725 . . . . 75.52 112.525 179.998 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 6' ' ' ILE . . . . . 0.632 HG13 HD22 ' A' ' 1' ' ' LEU . 50.8 mm -56.81 135.69 20.35 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-O 120.818 0.342 . . . . 64.3 111.134 -179.982 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -51.62 135.46 28.5 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.172 -0.467 . . . . 54.44 111.12 179.801 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 8' ' ' GLN . . . . . 0.565 ' HA ' HG22 ' A' ' 2' ' ' VAL . 6.3 pt20 -68.01 -42.78 80.18 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.238 -0.437 . . . . 73.33 110.912 -179.909 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -58.01 -47.65 87.72 Favored Glycine 0 N--CA 1.451 -0.336 0 C-N-CA 120.731 -0.747 . . . . 71.13 112.48 -179.988 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 10' ' ' THR . . . . . 0.712 ' O ' HG23 ' A' ' 14' ' ' VAL . 94.0 m -76.82 -32.93 57.94 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.768 0.318 . . . . 62.01 111.138 -179.878 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 11' ' ' ALA . . . . . 0.753 ' O ' HG23 ' A' ' 15' ' ' VAL . . . -51.66 -48.16 63.53 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.22 -0.445 . . . . 72.31 111.151 179.844 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 18.3 mt-10 -51.97 -48.64 64.25 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.233 -0.44 . . . . 73.22 110.871 -179.961 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 61.1 mttm -68.43 -39.35 81.58 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.197 -0.456 . . . . 75.44 110.889 179.97 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 14' ' ' VAL . . . . . 0.712 HG23 ' O ' ' A' ' 10' ' ' THR . 99.6 t -61.24 -34.98 62.98 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.188 -0.46 . . . . 74.25 111.165 179.847 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 15' ' ' VAL . . . . . 0.753 HG23 ' O ' ' A' ' 11' ' ' ALA . 98.9 t -55.48 -38.78 50.56 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.158 -0.474 . . . . 73.13 111.077 179.948 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 3.9 t -61.13 -33.85 74.05 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.187 -0.46 . . . . 70.44 110.865 -179.836 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 4.4 mp -71.3 -37.95 71.8 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.129 -0.487 . . . . 74.34 110.912 179.987 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 18' ' ' ILE . . . . . . . . . . . . . 34.3 mt -65.03 -50.04 76.65 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.199 -0.455 . . . . 71.2 111.152 179.831 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 57.4 m-80 -58.84 -26.73 64.46 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.128 -0.487 . . . . 55.33 110.848 179.969 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 20' ' ' ALA . . . . . 0.464 ' HB3' HD23 ' A' ' 22' ' ' LEU . . . -64.96 -20.04 66.28 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.168 -0.469 . . . . 22.31 111.112 179.866 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . 94.15 17.75 39.15 Favored Glycine 0 N--CA 1.451 -0.309 0 C-N-CA 120.705 -0.76 . . . . 63.3 112.534 -179.93 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 22' ' ' LEU . . . . . 0.464 HD23 ' HB3' ' A' ' 20' ' ' ALA . 4.1 mm? -74.85 141.17 44.26 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.853 0.358 . . . . 75.13 110.922 -179.919 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 19.1 p -76.81 157.68 31.38 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.218 -0.447 . . . . 71.03 111.135 179.932 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 18.3 m -51.37 -30.26 10.25 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.203 -0.453 . . . . 44.25 111.175 179.866 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . -53.28 -52.18 42.28 Favored Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 120.788 -0.72 . . . . 70.45 112.489 179.939 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 30.0 t -63.82 -26.75 68.76 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.873 0.368 . . . . 70.05 110.911 -179.754 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 27' ' ' ILE . . . . . 0.489 HG22 ' HG ' ' A' ' 31' ' ' LEU . 25.4 mm -67.82 -47.39 79.66 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 116.093 -0.503 . . . . 74.21 111.149 179.916 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 28' ' ' ILE . . . . . 0.592 HD13 HD12 ' A' ' 31' ' ' LEU . 40.2 mm -51.85 -32.99 15.25 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.172 -0.467 . . . . 72.41 111.13 179.827 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 23.1 t -60.35 -50.64 72.8 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.21 -0.45 . . . . 74.0 110.872 -179.921 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 30' ' ' ILE . . . . . . . . . . . . . 39.2 mm -77.27 -25.82 15.35 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.109 -0.496 . . . . 72.32 111.081 179.979 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 31' ' ' LEU . . . . . 0.682 ' HB3' HG21 ' A' ' 35' ' ' THR . 47.3 mt -63.77 -24.42 67.76 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.225 -0.443 . . . . 63.21 110.956 179.893 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . 128.16 -38.14 2.14 Favored Glycine 0 N--CA 1.451 -0.339 0 C-N-CA 120.704 -0.76 . . . . 41.34 112.479 179.887 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . 130.31 146.43 5.95 Favored Glycine 0 N--CA 1.452 -0.292 0 C-N-CA 120.723 -0.751 . . . . 52.41 112.475 -179.921 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 34' ' ' VAL . . . . . 0.419 HG12 ' O ' ' A' ' 34' ' ' VAL . 3.2 t 51.14 28.16 0.14 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-O 120.922 0.391 . . . . 65.31 111.116 -179.962 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 35' ' ' THR . . . . . 0.682 HG21 ' HB3' ' A' ' 31' ' ' LEU . 2.6 p -88.68 10.29 21.23 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.169 -0.469 . . . . 74.34 111.122 -179.957 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 36' ' ' VAL . . . . . . . . . . . . . 14.9 p -51.1 -29.23 7.85 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.195 -0.457 . . . . 63.32 111.126 179.93 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . -56.23 -64.64 4.21 Favored Glycine 0 N--CA 1.451 -0.325 0 C-N-CA 120.742 -0.742 . . . . 55.02 112.5 179.984 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 38' ' ' LEU . . . . . 0.615 ' O ' HG22 ' A' ' 41' ' ' VAL . 1.8 mt -66.48 -28.11 68.32 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.834 0.35 . . . . 63.44 110.901 -179.911 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -60.58 -19.97 59.15 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.156 -0.475 . . . . 64.21 110.863 -179.93 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . -51.96 -27.64 22.27 Favored Glycine 0 N--CA 1.452 -0.275 0 C-N-CA 120.713 -0.756 . . . . 64.55 112.471 -179.97 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 41' ' ' VAL . . . . . 0.728 ' O ' HG23 ' A' ' 45' ' ' VAL . 19.1 m -94.79 -21.99 5.57 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-O 120.823 0.344 . . . . 73.41 111.116 -179.962 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 42' ' ' PHE . . . . . . . . . . . . . 5.3 t80 -51.67 -42.37 62.09 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.15 -0.477 . . . . 74.14 110.892 -179.964 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -62.21 -46.33 89.39 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.149 -0.478 . . . . 73.1 111.153 -179.903 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -66.55 -34.04 77.01 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.196 -0.456 . . . . 51.23 111.061 179.888 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 45' ' ' VAL . . . . . 0.728 HG23 ' O ' ' A' ' 41' ' ' VAL . 98.9 t -63.55 -41.43 92.64 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.236 -0.438 . . . . 75.33 111.1 179.998 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 1.7 tmmm? -54.83 -39.7 68.83 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.181 -0.463 . . . . 74.41 110.915 179.921 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -62.83 -32.81 74.09 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.204 -0.453 . . . . 74.31 111.134 179.8 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -57.24 -36.37 70.86 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.175 -0.466 . . . . 61.41 111.091 179.965 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 49' ' ' ILE . . . . . . . . . . . . . 61.5 mt -56.37 -55.89 16.51 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.231 -0.44 . . . . 75.24 111.149 179.995 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -63.84 -22.44 66.92 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.184 -0.462 . . . . 73.14 111.125 179.79 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 15.1 mmmt -76.92 -61.05 2.11 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.199 -0.455 . . . . 63.24 110.907 179.956 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 52' ' ' GLN . . . . . . . . . . . . . 29.7 mm100 -110.3 -58.55 2.06 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.197 -0.456 . . . . 74.33 110.906 179.951 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . 161.54 159.04 9.79 Favored Glycine 0 N--CA 1.451 -0.342 0 C-N-CA 120.76 -0.733 . . . . 75.34 112.52 -179.97 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 54' ' ' ILE . . . . . . . . . . . . . 23.4 pt -51.6 -30.23 11.02 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-O 120.916 0.389 . . . . 71.54 111.165 -179.973 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 6.2 ptpp? -54.17 -44.63 71.65 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.136 -0.484 . . . . 73.2 110.854 179.846 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 56' ' ' LYS . . . . . 0.445 ' O ' HD23 ' A' ' 60' ' ' LEU . 11.5 mmmt -64.77 -33.21 75.44 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.254 -0.43 . . . . 73.13 110.921 179.9 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -64.53 -32.74 74.5 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.208 -0.451 . . . . 73.25 111.104 179.805 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 58' ' ' ILE . . . . . 0.518 ' O ' HG23 ' A' ' 2' ' ' VAL . 70.5 mt -63.54 -60.67 2.39 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.208 -0.451 . . . . 74.3 111.148 179.974 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 59' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -60.51 -26.43 66.85 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.181 -0.463 . . . . 55.24 110.87 179.986 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 60' ' ' LEU . . . . . 0.445 HD23 ' O ' ' A' ' 56' ' ' LYS . 0.6 OUTLIER . . . . . 0 C--N 1.328 -0.335 0 CA-C-N 116.184 -0.462 . . . . 61.22 110.971 179.992 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 1' ' ' LEU . . . . . 0.683 HD13 HG11 ' A' ' 45' ' ' VAL . 6.3 mp . . . . . 0 C--O 1.231 0.091 0 CA-C-O 120.892 0.377 . . . . 54.12 110.923 . . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 2' ' ' VAL . . . . . 0.577 HG23 ' O ' ' A' ' 58' ' ' ILE . 75.8 t -61.6 -50.7 79.21 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.153 -0.476 . . . . 44.23 111.117 179.864 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . -64.46 -29.4 70.44 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.157 -0.474 . . . . 73.51 111.069 179.94 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 4' ' ' TYR . . . . . 0.735 ' CE2' HG21 ' A' ' 41' ' ' VAL . 62.2 t80 -74.14 -51.06 16.77 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.233 -0.44 . . . . 72.23 110.948 -179.877 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . 164.21 -27.04 0.2 Allowed Glycine 0 N--CA 1.451 -0.355 0 C-N-CA 120.743 -0.741 . . . . 73.01 112.485 179.963 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 6' ' ' ILE . . . . . 0.822 HD11 HD23 ' A' ' 38' ' ' LEU . 50.8 mm -56.95 132.39 21.18 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-O 120.859 0.361 . . . . 63.52 111.114 -179.954 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 7' ' ' ALA . . . . . 0.424 ' O ' ' HB2' ' A' ' 11' ' ' ALA . . . -51.66 145.97 8.45 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.202 -0.454 . . . . 75.31 111.093 179.817 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 10.5 mt-30 -68.01 -56.92 7.17 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.21 -0.45 . . . . 55.43 110.89 -179.911 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -54.72 -41.53 75.13 Favored Glycine 0 N--CA 1.452 -0.291 0 C-N-CA 120.753 -0.737 . . . . 41.33 112.486 -179.957 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 10' ' ' THR . . . . . 0.705 ' O ' HG23 ' A' ' 14' ' ' VAL . 18.0 m -75.39 -32.83 60.91 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-O 120.792 0.33 . . . . 53.55 111.144 -179.84 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 11' ' ' ALA . . . . . 0.732 ' O ' HG23 ' A' ' 15' ' ' VAL . . . -52.22 -51.93 55.39 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.202 -0.453 . . . . 71.34 111.109 179.878 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 20.0 tt0 -52.76 -49.44 65.51 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.244 -0.434 . . . . 63.41 110.862 -179.91 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 14.3 ttmm -62.29 -45.8 91.61 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.142 -0.481 . . . . 54.4 110.948 179.935 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 14' ' ' VAL . . . . . 0.705 HG23 ' O ' ' A' ' 10' ' ' THR . 92.0 t -57.0 -35.63 48.12 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.227 -0.442 . . . . 75.2 111.141 179.858 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 15' ' ' VAL . . . . . 0.732 HG23 ' O ' ' A' ' 11' ' ' ALA . 81.4 t -55.77 -45.45 79.45 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.184 -0.462 . . . . 65.02 111.149 179.851 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 23.2 t -57.08 -35.6 69.58 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.216 -0.447 . . . . 72.4 110.883 -179.855 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 17' ' ' LEU . . . . . 0.435 ' O ' ' HB3' ' A' ' 20' ' ' ALA . 3.2 mp -65.14 -34.97 79.66 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.128 -0.487 . . . . 74.32 110.921 179.956 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 18' ' ' ILE . . . . . . . . . . . . . 17.5 mt -65.76 -50.05 73.38 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.198 -0.455 . . . . 71.04 111.115 179.882 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 3.2 t-20 -59.92 -18.87 48.29 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.153 -0.476 . . . . 64.53 110.888 179.95 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 20' ' ' ALA . . . . . 0.435 ' HB3' ' O ' ' A' ' 17' ' ' LEU . . . -64.19 -20.08 65.77 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.153 -0.476 . . . . 74.13 111.103 179.87 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . 80.17 85.9 0.61 Allowed Glycine 0 N--CA 1.451 -0.31 0 C-N-CA 120.737 -0.744 . . . . 73.12 112.479 -179.937 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 22' ' ' LEU . . . . . 0.684 HD13 ' HB3' ' A' ' 26' ' ' SER . 4.1 pp -162.22 166.77 25.05 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.857 0.361 . . . . 74.22 110.916 -179.925 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER -76.65 144.42 39.47 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.195 -0.457 . . . . 52.01 111.162 179.907 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 24' ' ' VAL . . . . . 0.507 HG22 ' HD2' ' A' ' 42' ' ' PHE . 35.4 t -51.49 -29.92 10.23 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.212 -0.449 . . . . 72.11 111.125 179.915 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . -53.0 -34.2 45.86 Favored Glycine 0 N--CA 1.451 -0.303 0 C-N-CA 120.749 -0.739 . . . . 73.52 112.507 179.985 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 26' ' ' SER . . . . . 0.684 ' HB3' HD13 ' A' ' 22' ' ' LEU . 1.2 t -63.32 -26.91 68.98 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.895 0.379 . . . . 63.01 110.875 -179.742 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 28.9 mm -66.31 -45.52 89.47 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.112 -0.495 . . . . 73.22 111.155 179.951 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 28' ' ' ILE . . . . . 0.648 HG23 ' OG1' ' A' ' 35' ' ' THR . 30.8 mt -60.42 -38.65 78.58 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.164 -0.471 . . . . 75.24 111.132 179.845 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 5.0 t -55.83 -33.58 64.61 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.128 -0.487 . . . . 45.34 110.841 -179.886 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 30' ' ' ILE . . . . . . . . . . . . . 22.0 mt -77.39 -60.99 1.86 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.136 -0.484 . . . . 65.22 111.124 179.969 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 31' ' ' LEU . . . . . 1.038 HD13 HG21 ' A' ' 35' ' ' THR . 3.2 mt -51.87 -42.12 62.4 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.223 -0.444 . . . . 65.21 110.922 179.865 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . 51.99 57.84 11.96 Favored Glycine 0 N--CA 1.451 -0.303 0 C-N-CA 120.714 -0.755 . . . . 74.43 112.474 179.93 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -159.69 54.9 0.35 Allowed Glycine 0 N--CA 1.451 -0.32 0 C-N-CA 120.689 -0.767 . . . . 65.54 112.47 -179.924 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 34' ' ' VAL . . . . . . . . . . . . . 10.1 t 49.52 52.56 0.39 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-O 120.899 0.38 . . . . 74.34 111.136 -179.978 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 35' ' ' THR . . . . . 1.038 HG21 HD13 ' A' ' 31' ' ' LEU . 0.0 OUTLIER -87.53 8.65 24.04 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.186 -0.461 . . . . 60.2 111.141 -179.945 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 36' ' ' VAL . . . . . . . . . . . . . 6.6 m -55.41 -24.98 16.63 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.204 -0.453 . . . . 63.54 111.119 179.923 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . -75.45 -44.64 21.05 Favored Glycine 0 N--CA 1.452 -0.275 0 C-N-CA 120.734 -0.746 . . . . 71.45 112.457 179.995 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 38' ' ' LEU . . . . . 0.822 HD23 HD11 ' A' ' 6' ' ' ILE . 8.6 mp -66.21 -22.08 66.33 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-O 120.783 0.325 . . . . 64.41 110.89 -179.9 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -54.79 -28.76 51.52 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.19 -0.459 . . . . 73.54 110.81 -179.886 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . -78.01 -21.92 69.87 Favored Glycine 0 N--CA 1.451 -0.366 0 C-N-CA 120.765 -0.731 . . . . 73.03 112.495 -179.975 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 41' ' ' VAL . . . . . 0.735 HG21 ' CE2' ' A' ' 4' ' ' TYR . 87.6 t -93.38 -26.04 4.77 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-O 120.822 0.344 . . . . 75.33 111.157 -179.988 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 42' ' ' PHE . . . . . 0.507 ' HD2' HG22 ' A' ' 24' ' ' VAL . 2.9 t80 -58.1 -50.88 71.96 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.174 -0.466 . . . . 75.53 110.851 -179.965 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -57.3 -44.77 84.38 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.141 -0.481 . . . . 72.32 111.172 -179.9 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -58.82 -40.41 84.09 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.163 -0.472 . . . . 31.41 111.093 179.863 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 45' ' ' VAL . . . . . 0.683 HG11 HD13 ' A' ' 1' ' ' LEU . 87.7 t -70.79 -44.05 76.59 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.185 -0.461 . . . . 53.45 111.121 -179.993 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -52.66 -51.58 59.5 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.131 -0.486 . . . . 74.2 110.904 179.906 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -55.67 -37.26 68.05 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.189 -0.46 . . . . 75.4 111.112 179.841 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -57.54 -29.08 64.09 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.181 -0.463 . . . . 72.42 111.092 179.921 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 49' ' ' ILE . . . . . . . . . . . . . 68.6 mt -56.44 -55.0 21.52 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.2 -0.455 . . . . 64.3 111.121 -179.964 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -65.36 -23.65 67.04 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.219 -0.446 . . . . 72.43 111.088 179.814 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER -76.94 -41.01 45.05 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.206 -0.452 . . . . 62.0 110.855 179.992 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 52' ' ' GLN . . . . . . . . . . . . . 22.3 mm100 -123.7 -69.5 0.81 Allowed 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.241 -0.436 . . . . 65.25 110.922 180.0 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . 167.75 156.62 10.19 Favored Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 120.699 -0.762 . . . . 64.41 112.453 -179.969 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 54' ' ' ILE . . . . . . . . . . . . . 17.0 pt -51.7 -35.26 17.25 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-O 120.924 0.392 . . . . 70.42 111.151 179.985 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 21.8 pttm -56.94 -44.93 83.0 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.17 -0.468 . . . . 71.14 110.882 179.847 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 16.7 tppt? -66.41 -33.68 76.25 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.247 -0.433 . . . . 55.3 110.911 179.872 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -55.43 -36.13 66.15 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.221 -0.445 . . . . 70.23 111.141 179.794 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 58' ' ' ILE . . . . . 0.577 ' O ' HG23 ' A' ' 2' ' ' VAL . 74.5 mt -59.95 -53.29 50.55 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.205 -0.452 . . . . 71.24 111.189 179.975 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 59' ' ' GLN . . . . . . . . . . . . . 31.5 mt-30 -55.23 -32.82 62.59 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.149 -0.478 . . . . 73.4 110.96 179.883 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 C--N 1.328 -0.368 0 CA-C-N 116.211 -0.449 . . . . 64.33 110.936 179.983 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 1' ' ' LEU . . . . . 0.573 HD13 HG11 ' A' ' 45' ' ' VAL . 6.9 mp . . . . . 0 C--O 1.231 0.114 0 CA-C-O 120.892 0.377 . . . . 72.04 110.947 . . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 2' ' ' VAL . . . . . 0.592 HG23 ' O ' ' A' ' 58' ' ' ILE . 58.4 t -61.82 -50.94 78.16 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.21 -0.45 . . . . 70.1 111.086 179.892 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . -64.57 -28.99 70.01 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.215 -0.448 . . . . 52.05 111.081 179.871 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 4' ' ' TYR . . . . . 0.415 ' CE2' HD13 ' A' ' 38' ' ' LEU . 62.9 t80 -74.11 -51.07 16.8 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.227 -0.442 . . . . 73.44 110.933 -179.817 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . 164.8 -27.55 0.2 Allowed Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 120.729 -0.748 . . . . 65.51 112.46 179.951 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 6' ' ' ILE . . . . . 0.66 HD11 ' HG ' ' A' ' 38' ' ' LEU . 49.8 mm -56.86 126.67 14.76 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-O 120.84 0.352 . . . . 54.32 111.116 -179.916 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -51.47 132.97 30.16 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.14 -0.482 . . . . 71.51 111.088 179.833 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 15.5 pt20 -63.35 -43.08 98.72 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.239 -0.437 . . . . 63.4 110.874 -179.923 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -54.17 -48.76 62.29 Favored Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 120.731 -0.747 . . . . 51.3 112.521 -179.991 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 10' ' ' THR . . . . . 0.711 ' O ' HG23 ' A' ' 14' ' ' VAL . 95.4 m -77.05 -31.19 56.01 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-O 120.828 0.347 . . . . 72.11 111.14 -179.855 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 11' ' ' ALA . . . . . 0.743 ' O ' HG23 ' A' ' 15' ' ' VAL . . . -51.43 -30.92 21.12 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.211 -0.45 . . . . 51.3 111.073 179.872 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 49.2 mt-10 -58.45 -57.07 14.54 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.222 -0.444 . . . . 60.44 110.917 -179.93 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 9.5 ptmm? -68.39 -33.93 75.13 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.122 -0.49 . . . . 72.41 110.875 179.975 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 14' ' ' VAL . . . . . 0.711 HG23 ' O ' ' A' ' 10' ' ' THR . 89.6 t -56.92 -41.1 75.98 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.222 -0.445 . . . . 75.34 111.115 179.888 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 15' ' ' VAL . . . . . 0.743 HG23 ' O ' ' A' ' 11' ' ' ALA . 94.6 t -56.65 -40.13 67.5 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.25 0 CA-C-N 116.16 -0.473 . . . . 72.14 111.155 179.924 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 32.9 t -60.14 -37.51 80.31 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.185 -0.461 . . . . 75.12 110.852 -179.817 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 17' ' ' LEU . . . . . 0.828 HD23 HD13 ' A' ' 30' ' ' ILE . 4.2 mp -64.84 -38.01 89.55 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.11 -0.495 . . . . 61.14 110.906 -179.997 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 18' ' ' ILE . . . . . . . . . . . . . 31.8 mt -65.21 -50.11 75.48 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.347 0 CA-C-N 116.194 -0.457 . . . . 74.03 111.112 179.831 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 13.6 t-20 -58.79 -26.3 63.95 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.166 -0.47 . . . . 64.33 110.914 179.957 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -65.01 -20.09 66.33 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.171 -0.468 . . . . 61.32 111.075 179.841 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . 94.77 18.57 34.45 Favored Glycine 0 N--CA 1.45 -0.377 0 C-N-CA 120.749 -0.739 . . . . 64.43 112.524 -179.933 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 25.9 mt -70.84 156.7 39.24 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.893 0.377 . . . . 72.53 110.888 -179.896 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 26.7 p -84.34 147.52 27.14 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.196 -0.456 . . . . 65.32 111.111 179.945 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 24' ' ' VAL . . . . . 0.419 HG21 ' O ' ' A' ' 39' ' ' SER . 6.4 p -51.34 -38.48 20.0 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.326 0 CA-C-N 116.204 -0.453 . . . . 64.51 111.136 179.888 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . -65.8 -33.92 87.24 Favored Glycine 0 N--CA 1.452 -0.298 0 C-N-CA 120.713 -0.756 . . . . 41.54 112.484 179.951 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 44.8 t -64.68 -26.89 68.57 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.819 0.342 . . . . 61.43 110.832 -179.722 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 27' ' ' ILE . . . . . 0.813 ' HA ' HD12 ' A' ' 30' ' ' ILE . 42.2 mm -60.18 -46.69 94.26 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.169 -0.469 . . . . 62.13 111.147 179.963 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 28' ' ' ILE . . . . . 0.67 HG23 ' OG1' ' A' ' 35' ' ' THR . 70.7 mt -60.46 -40.61 84.77 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.19 -0.459 . . . . 73.33 111.182 179.844 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 3.0 m -63.5 -32.19 73.57 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.155 -0.475 . . . . 64.21 110.843 -179.943 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 30' ' ' ILE . . . . . 0.828 HD13 HD23 ' A' ' 17' ' ' LEU . 13.2 mt -70.29 -60.98 1.88 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.346 0 CA-C-N 116.159 -0.473 . . . . 73.34 111.155 179.964 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 7.0 mt -60.84 -42.22 97.37 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.172 -0.467 . . . . 72.3 110.967 179.831 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . 51.52 34.34 34.77 Favored Glycine 0 N--CA 1.451 -0.345 0 C-N-CA 120.778 -0.725 . . . . 71.2 112.488 179.904 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -127.83 60.63 0.66 Allowed Glycine 0 N--CA 1.452 -0.292 0 C-N-CA 120.728 -0.749 . . . . 75.22 112.484 -179.902 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 34' ' ' VAL . . . . . . . . . . . . . 12.4 t 49.41 55.98 0.35 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-O 120.876 0.37 . . . . 70.21 111.116 -179.953 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 35' ' ' THR . . . . . 0.67 ' OG1' HG23 ' A' ' 28' ' ' ILE . 0.1 OUTLIER -86.92 7.36 27.7 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.179 -0.464 . . . . 71.45 111.183 179.978 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 36' ' ' VAL . . . . . 0.417 HG23 ' O ' ' A' ' 36' ' ' VAL . 4.7 m -55.1 100.45 0.05 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.205 -0.452 . . . . 74.22 111.121 179.898 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 139.59 -42.75 1.2 Allowed Glycine 0 N--CA 1.451 -0.316 0 C-N-CA 120.774 -0.727 . . . . 54.24 112.506 179.989 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 38' ' ' LEU . . . . . 0.66 ' HG ' HD11 ' A' ' 6' ' ' ILE . 4.5 mm? -66.24 -17.49 64.77 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-O 120.784 0.326 . . . . 72.34 110.893 -179.923 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 39' ' ' SER . . . . . 0.419 ' O ' HG21 ' A' ' 24' ' ' VAL . 3.0 p -69.96 -38.0 75.98 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.177 -0.465 . . . . 44.05 110.825 -179.915 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . -67.5 -19.1 70.52 Favored Glycine 0 N--CA 1.45 -0.372 0 C-N-CA 120.773 -0.727 . . . . 44.2 112.509 -179.95 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 41' ' ' VAL . . . . . . . . . . . . . 6.3 p -105.06 -24.44 4.03 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-O 120.864 0.364 . . . . 73.12 111.12 -179.975 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 42' ' ' PHE . . . . . . . . . . . . . 3.3 t80 -52.42 -51.09 60.98 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.138 -0.483 . . . . 73.22 110.915 -179.987 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -54.08 -43.12 70.05 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.191 -0.459 . . . . 71.14 111.115 -179.952 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -60.36 -43.04 96.9 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.232 -0.44 . . . . 75.34 111.127 179.89 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 45' ' ' VAL . . . . . 0.573 HG11 HD13 ' A' ' 1' ' ' LEU . 75.7 t -70.9 -40.67 76.74 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.243 -0.435 . . . . 60.12 111.097 179.968 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 34.2 tttp -54.06 -53.02 58.89 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.188 -0.46 . . . . 61.14 110.921 179.912 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -60.88 -30.11 69.96 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.188 -0.46 . . . . 54.03 111.106 179.847 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 48' ' ' ALA . . . . . 0.463 ' HB3' ' O ' ' A' ' 45' ' ' VAL . . . -58.1 -28.33 64.52 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.213 -0.449 . . . . 54.05 111.117 179.928 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 49' ' ' ILE . . . . . . . . . . . . . 62.8 mt -56.4 -55.88 16.66 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.363 0 CA-C-N 116.264 -0.425 . . . . 62.44 111.105 179.988 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -65.25 -24.27 67.28 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.122 -0.49 . . . . 63.42 111.089 179.793 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 99.5 mttt -76.88 -35.58 57.32 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.227 -0.442 . . . . 73.31 110.919 179.973 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 52' ' ' GLN . . . . . . . . . . . . . 37.5 mt-30 -130.65 -71.39 0.59 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.237 -0.438 . . . . 71.15 110.911 -179.968 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . 170.76 155.92 10.94 Favored Glycine 0 N--CA 1.451 -0.342 0 C-N-CA 120.7 -0.762 . . . . 63.4 112.467 -179.99 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 54' ' ' ILE . . . . . . . . . . . . . 53.4 mt -53.93 -41.95 51.52 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-O 120.911 0.386 . . . . 71.54 111.111 -179.977 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 8.9 ptpt -52.75 -45.41 67.03 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.164 -0.471 . . . . 63.34 110.915 179.845 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 18.8 mttm -66.19 -34.07 77.21 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.168 -0.469 . . . . 74.24 110.904 179.881 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -55.92 -37.43 68.91 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.24 -0.436 . . . . 51.23 111.077 179.841 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 58' ' ' ILE . . . . . 0.592 ' O ' HG23 ' A' ' 2' ' ' VAL . 67.4 mt -58.43 -50.62 78.09 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.254 -0.43 . . . . 74.54 111.166 179.958 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 59' ' ' GLN . . . . . . . . . . . . . 57.7 mt-30 -56.61 -30.78 63.63 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.207 -0.451 . . . . 75.04 110.912 179.926 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 C--N 1.329 -0.318 0 CA-C-N 116.208 -0.451 . . . . 75.55 110.916 179.997 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 1' ' ' LEU . . . . . 0.454 HD23 HG13 ' A' ' 6' ' ' ILE . 6.4 mt . . . . . 0 C--O 1.231 0.081 0 CA-C-O 120.891 0.377 . . . . 64.2 110.932 . . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 2' ' ' VAL . . . . . 0.439 HG22 ' HA ' ' A' ' 8' ' ' GLN . 82.4 t -63.31 -49.3 83.51 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.266 0 CA-C-N 116.187 -0.46 . . . . 64.32 111.135 179.825 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . -64.23 -29.78 70.86 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.165 -0.471 . . . . 55.13 111.113 179.915 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 4' ' ' TYR . . . . . . . . . . . . . 0.5 OUTLIER -73.86 -48.21 32.78 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.197 -0.456 . . . . 73.2 110.929 -179.893 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . 160.02 -27.65 0.34 Allowed Glycine 0 N--CA 1.452 -0.299 0 C-N-CA 120.694 -0.765 . . . . 74.13 112.459 179.974 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 6' ' ' ILE . . . . . 0.465 HD11 HD13 ' A' ' 38' ' ' LEU . 50.4 mm -57.24 132.51 21.64 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-O 120.874 0.369 . . . . 63.32 111.127 -179.955 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -51.61 139.71 20.09 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.181 -0.463 . . . . 65.13 111.09 179.825 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 8' ' ' GLN . . . . . 0.439 ' HA ' HG22 ' A' ' 2' ' ' VAL . 6.1 pt20 -67.87 -42.63 81.0 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.248 -0.433 . . . . 72.03 110.91 -179.955 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -56.38 -51.06 58.61 Favored Glycine 0 N--CA 1.452 -0.27 0 C-N-CA 120.735 -0.745 . . . . 51.5 112.485 -179.984 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 10' ' ' THR . . . . . 0.699 ' O ' HG23 ' A' ' 14' ' ' VAL . 93.5 m -74.6 -31.68 62.11 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.804 0.335 . . . . 55.41 111.141 -179.841 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 11' ' ' ALA . . . . . 0.757 ' O ' HG23 ' A' ' 15' ' ' VAL . . . -51.76 -47.2 64.22 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.203 -0.453 . . . . 71.31 111.131 179.841 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 34.0 mt-10 -54.37 -49.98 68.57 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.21 -0.45 . . . . 74.53 110.84 -179.88 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 8.6 ttmm -64.9 -43.61 92.27 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.126 -0.488 . . . . 54.14 110.897 179.971 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 14' ' ' VAL . . . . . 0.699 HG23 ' O ' ' A' ' 10' ' ' THR . 91.7 t -56.29 -35.06 41.64 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.226 -0.443 . . . . 73.43 111.117 179.874 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 15' ' ' VAL . . . . . 0.757 HG23 ' O ' ' A' ' 11' ' ' ALA . 95.4 t -55.57 -31.04 27.6 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.171 -0.468 . . . . 74.31 111.132 179.944 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 2.0 t -59.47 -42.09 91.25 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.167 -0.469 . . . . 60.22 110.885 -179.877 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 3.8 mm? -71.29 -39.74 71.32 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.112 -0.494 . . . . 55.23 110.91 -179.993 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 18' ' ' ILE . . . . . . . . . . . . . 35.5 mt -65.07 -48.38 84.1 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.201 -0.454 . . . . 63.0 111.121 179.87 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 57.9 t30 -58.68 -27.91 65.26 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.163 -0.472 . . . . 42.01 110.877 179.929 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -64.98 -20.12 66.33 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.21 -0.45 . . . . 50.51 111.062 179.881 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . 96.01 13.49 49.34 Favored Glycine 0 N--CA 1.45 -0.373 0 C-N-CA 120.743 -0.742 . . . . 25.1 112.498 -179.925 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 22' ' ' LEU . . . . . 0.693 HD12 ' CB ' ' A' ' 26' ' ' SER . 4.0 mm? -74.9 137.5 41.77 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-O 120.843 0.354 . . . . 41.52 110.938 -179.926 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 53.6 p -76.85 167.92 20.99 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.211 -0.45 . . . . 70.32 111.141 179.966 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 24' ' ' VAL . . . . . 0.554 HG21 ' HB2' ' A' ' 39' ' ' SER . 10.7 p -51.35 -30.16 10.07 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.239 -0.437 . . . . 63.13 111.135 179.921 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . -53.82 -52.05 45.14 Favored Glycine 0 N--CA 1.451 -0.337 0 C-N-CA 120.767 -0.73 . . . . 72.3 112.485 179.967 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 26' ' ' SER . . . . . 0.693 ' CB ' HD12 ' A' ' 22' ' ' LEU . 2.1 t -65.58 -26.93 68.08 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.898 0.38 . . . . 73.52 110.87 -179.732 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 27' ' ' ILE . . . . . 0.575 HG22 HD23 ' A' ' 31' ' ' LEU . 26.2 mm -67.39 -50.51 61.59 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.135 -0.484 . . . . 74.25 111.147 179.93 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 28' ' ' ILE . . . . . 0.787 HG23 HG23 ' A' ' 35' ' ' THR . 50.4 mm -53.59 -37.6 31.51 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.174 -0.466 . . . . 71.41 111.126 179.87 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 71.1 m -63.41 -36.54 84.07 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.19 -0.459 . . . . 74.12 110.917 -179.947 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 30' ' ' ILE . . . . . . . . . . . . . 43.7 mm -77.61 -36.6 23.26 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.1 -0.5 . . . . 65.23 111.102 179.97 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 31' ' ' LEU . . . . . 0.575 HD23 HG22 ' A' ' 27' ' ' ILE . 3.8 mm? -51.97 -42.29 62.8 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.165 -0.471 . . . . 62.12 110.902 179.898 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . 51.67 58.04 11.05 Favored Glycine 0 N--CA 1.451 -0.333 0 C-N-CA 120.724 -0.75 . . . . 74.12 112.516 179.906 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -179.39 -159.15 22.94 Favored Glycine 0 N--CA 1.451 -0.352 0 C-N-CA 120.747 -0.739 . . . . 50.35 112.499 -179.88 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 34' ' ' VAL . . . . . . . . . . . . . 12.5 t -78.43 56.25 0.09 OUTLIER 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-O 120.901 0.381 . . . . 55.42 111.134 179.953 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 35' ' ' THR . . . . . 0.787 HG23 HG23 ' A' ' 28' ' ' ILE . 5.0 t -89.0 10.3 22.03 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.187 -0.46 . . . . 74.13 111.133 179.999 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 36' ' ' VAL . . . . . . . . . . . . . 17.3 t -75.91 60.53 0.11 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.243 -0.435 . . . . 74.12 111.12 179.916 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 165.83 -36.74 0.26 Allowed Glycine 0 N--CA 1.452 -0.296 0 C-N-CA 120.733 -0.746 . . . . 63.22 112.526 179.97 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 38' ' ' LEU . . . . . 0.614 ' O ' HG22 ' A' ' 41' ' ' VAL . 0.4 OUTLIER -66.67 -24.83 66.33 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.812 0.339 . . . . 53.13 110.905 -179.914 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 39' ' ' SER . . . . . 0.554 ' HB2' HG21 ' A' ' 24' ' ' VAL . 0.9 OUTLIER -60.21 -20.01 56.83 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.187 -0.46 . . . . 73.0 110.866 -179.944 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . -51.77 -27.81 21.26 Favored Glycine 0 N--CA 1.45 -0.376 0 C-N-CA 120.761 -0.733 . . . . 64.14 112.519 -179.969 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 41' ' ' VAL . . . . . 0.711 ' O ' HG23 ' A' ' 45' ' ' VAL . 18.9 m -94.16 -24.1 5.08 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-O 120.885 0.374 . . . . 73.34 111.161 -179.982 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 42' ' ' PHE . . . . . . . . . . . . . 2.4 t80 -56.27 -51.85 66.64 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.15 -0.477 . . . . 73.3 110.891 -179.995 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 17.2 m -54.0 -43.33 69.95 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.138 -0.483 . . . . 75.44 111.127 -179.929 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -66.62 -34.49 77.99 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.246 -0.434 . . . . 44.52 111.054 179.904 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 45' ' ' VAL . . . . . 0.711 HG23 ' O ' ' A' ' 41' ' ' VAL . 95.7 t -70.77 -52.18 30.42 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.241 -0.436 . . . . 72.4 111.106 -179.988 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 5.7 ptmm? -58.06 -36.08 72.29 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.186 -0.461 . . . . 71.4 110.882 179.953 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -63.45 -40.08 96.17 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.24 -0.436 . . . . 65.12 111.059 179.84 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -60.53 -27.18 67.44 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.202 -0.454 . . . . 30.11 111.087 179.973 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 49' ' ' ILE . . . . . . . . . . . . . 62.4 mt -56.44 -55.98 16.19 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.232 -0.44 . . . . 64.23 111.102 -179.993 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -61.93 -23.6 66.46 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.161 -0.472 . . . . 70.25 111.121 179.827 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 10.6 mtmt -76.98 -60.97 2.14 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.189 -0.46 . . . . 74.54 110.919 179.954 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 52' ' ' GLN . . . . . . . . . . . . . 2.6 mt-30 -104.89 -67.63 0.9 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.209 -0.451 . . . . 74.13 110.934 179.925 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . 169.71 157.35 11.97 Favored Glycine 0 N--CA 1.451 -0.341 0 C-N-CA 120.726 -0.749 . . . . 63.31 112.482 -179.986 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 54' ' ' ILE . . . . . . . . . . . . . 34.7 pt -51.63 -30.08 10.93 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-O 120.973 0.416 . . . . 74.4 111.185 179.986 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 4.4 ptpt -56.33 -42.78 78.24 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.133 -0.485 . . . . 75.15 110.917 179.845 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -66.2 -31.54 72.43 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.191 -0.459 . . . . 72.43 110.927 179.832 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -58.0 -37.15 73.75 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.268 -0.424 . . . . 55.31 111.121 179.796 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 58' ' ' ILE . . . . . 0.401 ' O ' HG23 ' A' ' 2' ' ' VAL . 62.4 mt -56.73 -60.04 2.39 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.151 -0.477 . . . . 72.53 111.162 179.944 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 59' ' ' GLN . . . . . . . . . . . . . 9.8 pt20 -60.23 -27.58 67.32 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.16 -0.473 . . . . 71.43 110.931 179.954 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 60' ' ' LEU . . . . . 0.549 HD13 ' HA ' ' A' ' 45' ' ' VAL . 1.0 OUTLIER . . . . . 0 C--N 1.328 -0.354 0 CA-C-N 116.189 -0.46 . . . . 75.01 110.886 -179.97 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 1' ' ' LEU . . . . . 0.549 ' HG ' HG11 ' A' ' 45' ' ' VAL . 43.0 mt . . . . . 0 C--O 1.231 0.117 0 CA-C-O 120.871 0.367 . . . . 74.24 110.886 . . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 2' ' ' VAL . . . . . 0.496 HG23 ' O ' ' A' ' 58' ' ' ILE . 95.3 t -62.98 -49.89 81.76 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.206 -0.452 . . . . 71.12 111.096 179.86 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . -64.19 -31.83 73.18 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.212 -0.449 . . . . 74.03 111.076 179.899 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 4' ' ' TYR . . . . . 0.634 ' CE2' HD22 ' A' ' 60' ' ' LEU . 1.6 m-85 -74.25 -51.1 16.35 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.255 -0.429 . . . . 72.41 110.943 -179.872 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . 161.37 56.1 0.02 OUTLIER Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.708 -0.758 . . . . 64.24 112.505 179.991 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 6' ' ' ILE . . . . . 0.436 HG13 HD22 ' A' ' 1' ' ' LEU . 40.4 mm -135.61 142.05 40.47 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-O 120.811 0.339 . . . . 71.04 111.126 -179.945 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 7' ' ' ALA . . . . . 0.815 ' HB3' ' HB ' ' A' ' 10' ' ' THR . . . -51.75 150.22 4.16 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.174 -0.467 . . . . 63.33 111.082 179.806 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 32.8 tt0 -68.02 -57.04 6.8 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.223 -0.444 . . . . 72.3 110.94 -179.935 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -68.56 -35.97 82.36 Favored Glycine 0 N--CA 1.451 -0.301 0 C-N-CA 120.726 -0.75 . . . . 72.34 112.495 179.99 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 10' ' ' THR . . . . . 0.815 ' HB ' ' HB3' ' A' ' 7' ' ' ALA . 29.4 m -74.15 -25.6 59.84 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 120.771 0.319 . . . . 70.34 111.148 -179.85 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 11' ' ' ALA . . . . . 0.612 ' O ' HG23 ' A' ' 15' ' ' VAL . . . -50.73 -37.55 42.37 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.176 -0.466 . . . . 74.12 111.133 179.838 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 3.2 tt0 -71.62 -35.24 70.4 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.189 -0.46 . . . . 63.14 110.914 -179.943 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 35.9 mttm -69.27 -54.32 15.29 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.141 -0.481 . . . . 74.42 110.897 179.974 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 14' ' ' VAL . . . . . 0.42 HG13 ' N ' ' A' ' 15' ' ' VAL . 4.0 p -52.51 -44.01 43.65 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.24 -0.436 . . . . 72.21 111.127 179.866 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 15' ' ' VAL . . . . . 0.612 HG23 ' O ' ' A' ' 11' ' ' ALA . 59.1 t -59.57 -46.02 93.47 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.139 -0.482 . . . . 64.2 111.129 179.923 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 15.0 m -54.49 -32.83 58.69 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.185 -0.462 . . . . 75.03 110.864 -179.805 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 17' ' ' LEU . . . . . 0.634 HD22 HD22 ' A' ' 22' ' ' LEU . 1.3 mt -71.58 -27.69 63.31 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.133 -0.485 . . . . 63.4 110.918 179.997 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 18' ' ' ILE . . . . . . . . . . . . . 16.0 mt -65.23 -49.36 79.43 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.165 -0.471 . . . . 75.31 111.116 179.858 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 22.5 t30 -58.66 -22.02 55.78 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.163 -0.471 . . . . 71.24 110.916 179.922 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 20' ' ' ALA . . . . . 0.401 ' HB3' ' O ' ' A' ' 17' ' ' LEU . . . -64.86 -20.0 66.18 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.199 -0.455 . . . . 74.43 111.066 179.892 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . 90.37 12.75 60.97 Favored Glycine 0 N--CA 1.451 -0.307 0 C-N-CA 120.722 -0.751 . . . . 62.51 112.508 -179.941 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 22' ' ' LEU . . . . . 0.634 HD22 HD22 ' A' ' 17' ' ' LEU . 6.7 mp -74.94 154.42 38.15 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-O 120.925 0.393 . . . . 74.44 110.923 -179.943 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 1.5 p -77.71 142.33 38.82 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.188 -0.46 . . . . 62.53 111.1 179.973 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 24' ' ' VAL . . . . . 0.468 HG22 ' HD2' ' A' ' 42' ' ' PHE . 42.7 t -51.41 -30.23 10.37 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.192 -0.458 . . . . 64.43 111.128 179.875 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . -57.04 -39.11 89.12 Favored Glycine 0 N--CA 1.452 -0.291 0 C-N-CA 120.746 -0.74 . . . . 54.43 112.452 179.992 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 2.6 t -64.89 -26.88 68.51 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.89 0.376 . . . . 65.34 110.895 -179.76 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 35.3 mm -60.26 -41.82 88.34 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.095 -0.502 . . . . 73.31 111.101 179.996 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 28' ' ' ILE . . . . . . . . . . . . . 63.8 mt -57.08 -42.72 79.99 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.187 -0.46 . . . . 65.34 111.14 179.861 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 70.5 m -56.26 -30.85 62.97 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.145 -0.479 . . . . 72.43 110.866 -179.954 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 30' ' ' ILE . . . . . . . . . . . . . 46.0 mm -69.91 -60.12 2.8 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.152 -0.476 . . . . 73.12 111.147 179.929 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 3.7 mm? -56.98 -41.68 78.81 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.163 -0.471 . . . . 73.42 110.915 179.905 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . 53.91 38.22 59.57 Favored Glycine 0 N--CA 1.451 -0.341 0 C-N-CA 120.755 -0.736 . . . . 41.01 112.496 179.891 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -148.72 69.26 0.34 Allowed Glycine 0 N--CA 1.451 -0.334 0 C-N-CA 120.747 -0.739 . . . . 75.2 112.498 -179.933 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 34' ' ' VAL . . . . . . . . . . . . . 7.7 t 49.55 50.17 0.41 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-O 120.893 0.378 . . . . 74.05 111.126 -179.975 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 35' ' ' THR . . . . . 0.513 HG22 ' HB2' ' A' ' 38' ' ' LEU . 0.1 OUTLIER -86.94 6.82 30.19 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.156 -0.475 . . . . 73.25 111.115 -179.963 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 36' ' ' VAL . . . . . . . . . . . . . 55.0 t -59.94 -22.04 23.22 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.248 -0.433 . . . . 74.34 111.139 179.944 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . -87.92 -31.67 14.47 Favored Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 120.73 -0.748 . . . . 61.14 112.5 179.97 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 38' ' ' LEU . . . . . 0.513 ' HB2' HG22 ' A' ' 35' ' ' THR . 4.4 mm? -66.05 -24.92 66.82 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-O 120.812 0.339 . . . . 74.05 110.914 -179.897 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 1.4 m -52.1 -48.69 64.63 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.172 -0.467 . . . . 74.04 110.851 -179.959 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . -59.2 -19.31 45.57 Favored Glycine 0 N--CA 1.451 -0.333 0 C-N-CA 120.741 -0.742 . . . . 72.1 112.485 -179.996 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 41' ' ' VAL . . . . . . . . . . . . . 89.5 t -94.51 -39.47 10.33 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-O 120.837 0.351 . . . . 73.44 111.15 179.998 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 42' ' ' PHE . . . . . 0.468 ' HD2' HG22 ' A' ' 24' ' ' VAL . 3.2 t80 -51.94 -51.36 57.63 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.144 -0.48 . . . . 71.44 110.903 -179.959 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 4.6 t -54.02 -40.4 66.99 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.104 -0.498 . . . . 73.11 111.163 -179.939 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -64.22 -33.63 76.24 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.25 -0.432 . . . . 62.15 111.06 179.878 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 45' ' ' VAL . . . . . 0.549 HG11 ' HG ' ' A' ' 1' ' ' LEU . 96.2 t -70.87 -49.15 52.37 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.247 -0.433 . . . . 34.42 111.123 179.976 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 46' ' ' LYS . . . . . 0.671 ' HD2' HD12 ' A' ' 49' ' ' ILE . 17.9 tptt -56.81 -46.7 81.45 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.179 -0.464 . . . . 70.31 110.899 179.925 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -60.09 -37.26 79.43 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.194 -0.457 . . . . 63.23 111.091 179.824 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -60.25 -25.27 65.55 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.251 -0.431 . . . . 74.43 111.127 179.928 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 49' ' ' ILE . . . . . 0.671 HD12 ' HD2' ' A' ' 46' ' ' LYS . 62.3 mt -56.36 -55.98 15.99 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.184 -0.462 . . . . 74.14 111.09 179.992 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -61.71 -23.59 66.22 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.181 -0.463 . . . . 70.35 111.133 179.83 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 1.8 mptp? -77.0 -55.01 5.83 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.165 -0.471 . . . . 74.33 110.892 179.984 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 52' ' ' GLN . . . . . . . . . . . . . 12.8 mp0 -111.17 -70.33 0.82 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.251 -0.431 . . . . 65.21 110.953 179.912 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . 171.19 155.94 11.17 Favored Glycine 0 N--CA 1.452 -0.287 0 C-N-CA 120.67 -0.776 . . . . 73.2 112.432 -179.998 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 54' ' ' ILE . . . . . 0.404 ' O ' ' HB3' ' A' ' 57' ' ' ALA . 22.4 pt -51.68 -32.6 14.24 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-O 120.874 0.368 . . . . 62.44 111.125 -179.981 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 15.7 pttm -53.98 -45.45 71.42 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.167 -0.47 . . . . 71.34 110.938 179.805 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 2.4 tttm -66.17 -31.91 73.03 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.239 -0.437 . . . . 64.22 110.902 179.853 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 57' ' ' ALA . . . . . 0.404 ' HB3' ' O ' ' A' ' 54' ' ' ILE . . . -55.46 -40.13 71.22 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.231 -0.441 . . . . 74.13 111.12 179.818 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 58' ' ' ILE . . . . . 0.496 ' O ' HG23 ' A' ' 2' ' ' VAL . 70.5 mt -58.69 -58.85 4.91 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.188 -0.46 . . . . 75.44 111.156 179.994 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 59' ' ' GLN . . . . . . . . . . . . . 64.8 mt-30 -59.97 -28.6 67.8 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.158 -0.473 . . . . 70.32 110.893 179.946 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 60' ' ' LEU . . . . . 0.634 HD22 ' CE2' ' A' ' 4' ' ' TYR . 1.8 mt . . . . . 0 C--N 1.328 -0.329 0 CA-C-N 116.181 -0.463 . . . . 74.14 110.903 -179.948 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 1' ' ' LEU . . . . . 0.471 HD23 ' HA ' ' A' ' 11' ' ' ALA . 3.7 mp . . . . . 0 C--O 1.23 0.074 0 CA-C-O 120.835 0.35 . . . . 75.31 110.883 . . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 2' ' ' VAL . . . . . 0.54 HG23 ' O ' ' A' ' 58' ' ' ILE . 51.0 t -62.04 -50.26 80.8 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.153 -0.476 . . . . 73.2 111.093 179.911 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . -64.28 -29.77 70.84 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.218 -0.447 . . . . 73.54 111.074 179.873 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 4' ' ' TYR . . . . . 0.407 ' CE1' HG11 ' A' ' 41' ' ' VAL . 64.0 t80 -74.21 -48.2 30.51 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.223 -0.444 . . . . 72.33 110.888 -179.827 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . 159.49 -26.58 0.35 Allowed Glycine 0 N--CA 1.451 -0.328 0 C-N-CA 120.724 -0.75 . . . . 72.45 112.519 179.989 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 51.7 mm -58.74 135.09 23.49 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-O 120.821 0.343 . . . . 54.51 111.135 -179.975 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -52.2 143.03 15.29 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.17 -0.468 . . . . 61.03 111.096 179.822 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 8' ' ' GLN . . . . . 0.463 ' HA ' HG22 ' A' ' 2' ' ' VAL . 8.1 pt20 -67.24 -41.41 85.71 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.197 -0.456 . . . . 72.14 110.91 -179.955 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -63.22 -46.0 94.03 Favored Glycine 0 N--CA 1.451 -0.342 0 C-N-CA 120.762 -0.732 . . . . 70.24 112.497 -179.974 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 10' ' ' THR . . . . . 0.691 ' O ' HG23 ' A' ' 14' ' ' VAL . 6.3 m -75.89 -26.2 56.81 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.807 0.337 . . . . 65.02 111.14 -179.849 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 11' ' ' ALA . . . . . 0.686 ' O ' HG23 ' A' ' 15' ' ' VAL . . . -56.07 -57.47 12.0 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.207 -0.451 . . . . 71.33 111.108 179.875 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 28.9 mt-10 -52.04 -40.25 60.79 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.177 -0.465 . . . . 62.11 110.897 -179.945 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 40.1 mtmt -67.6 -46.83 71.43 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.179 -0.464 . . . . 72.23 110.912 179.959 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 14' ' ' VAL . . . . . 0.691 HG23 ' O ' ' A' ' 10' ' ' THR . 91.9 t -60.97 -40.33 85.13 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.199 -0.455 . . . . 73.31 111.085 179.924 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 15' ' ' VAL . . . . . 0.798 HG21 HD13 ' A' ' 58' ' ' ILE . 95.4 t -55.66 -36.52 42.81 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.191 -0.459 . . . . 72.22 111.141 179.93 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 10.9 t -60.48 -35.8 76.77 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.155 -0.475 . . . . 62.45 110.896 -179.851 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 2.1 mm? -71.36 -28.65 64.2 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.117 -0.492 . . . . 74.2 110.899 -179.995 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 18' ' ' ILE . . . . . . . . . . . . . 34.4 mt -65.02 -35.89 76.54 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.159 -0.473 . . . . 62.31 111.129 179.828 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 45.3 t30 -57.22 -24.27 53.48 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.177 -0.465 . . . . 71.23 110.884 179.952 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 20' ' ' ALA . . . . . 0.425 ' CB ' HD13 ' A' ' 22' ' ' LEU . . . -64.94 -20.06 66.27 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.207 -0.451 . . . . 72.32 111.082 179.889 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . 84.92 0.31 89.07 Favored Glycine 0 N--CA 1.451 -0.348 0 C-N-CA 120.738 -0.744 . . . . 62.24 112.547 -179.933 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 22' ' ' LEU . . . . . 0.431 HD23 ' CB ' ' A' ' 26' ' ' SER . 7.0 mp -67.65 155.49 39.05 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.876 0.37 . . . . 61.22 110.907 -179.917 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 24.8 p -76.79 165.28 24.93 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.211 -0.449 . . . . 71.35 111.104 179.977 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 24' ' ' VAL . . . . . 0.492 HG21 ' CB ' ' A' ' 39' ' ' SER . 10.7 p -51.47 -30.22 10.57 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.167 -0.47 . . . . 64.41 111.105 179.935 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . -52.99 -40.03 57.76 Favored Glycine 0 N--CA 1.451 -0.31 0 C-N-CA 120.76 -0.733 . . . . 40.24 112.464 179.96 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 26' ' ' SER . . . . . 0.431 ' CB ' HD23 ' A' ' 22' ' ' LEU . 5.9 p -70.76 -27.09 63.68 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.892 0.377 . . . . 50.2 110.869 -179.696 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 27' ' ' ILE . . . . . 0.441 ' O ' HD23 ' A' ' 31' ' ' LEU . 31.0 mm -65.53 -55.01 21.91 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.106 -0.497 . . . . 70.02 111.12 179.963 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 28' ' ' ILE . . . . . 0.579 HG23 ' OG1' ' A' ' 35' ' ' THR . 56.1 mt -60.47 -33.08 52.98 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.161 -0.472 . . . . 75.2 111.101 179.867 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 1.7 t -55.46 -39.43 70.35 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.173 -0.467 . . . . 62.24 110.867 -179.875 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 30' ' ' ILE . . . . . . . . . . . . . 54.7 mt -77.0 -32.37 19.49 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.118 -0.492 . . . . 75.55 111.156 179.91 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 31' ' ' LEU . . . . . 0.441 HD23 ' O ' ' A' ' 27' ' ' ILE . 4.0 mm? -60.6 -40.33 91.44 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.177 -0.465 . . . . 72.51 110.929 179.894 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . 62.37 57.96 14.48 Favored Glycine 0 N--CA 1.452 -0.27 0 C-N-CA 120.733 -0.746 . . . . 64.04 112.457 179.895 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -179.78 178.99 48.84 Favored Glycine 0 N--CA 1.451 -0.349 0 C-N-CA 120.76 -0.734 . . . . 60.12 112.522 -179.95 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 34' ' ' VAL . . . . . . . . . . . . . 16.0 m -77.24 60.41 0.13 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-O 120.871 0.367 . . . . 64.34 111.167 -179.932 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 35' ' ' THR . . . . . 0.579 ' OG1' HG23 ' A' ' 28' ' ' ILE . 42.8 p -86.81 6.63 30.69 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.178 -0.465 . . . . 74.15 111.105 -179.89 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 36' ' ' VAL . . . . . 0.421 HG23 ' O ' ' A' ' 36' ' ' VAL . 4.8 m -56.05 99.94 0.05 OUTLIER 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 116.252 -0.431 . . . . 73.44 111.121 179.913 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 171.05 -52.92 0.19 Allowed Glycine 0 N--CA 1.451 -0.344 0 C-N-CA 120.753 -0.736 . . . . 71.23 112.497 -179.996 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 38' ' ' LEU . . . . . 0.453 ' O ' HG22 ' A' ' 41' ' ' VAL . 2.0 pt? -63.32 -17.98 63.13 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 120.812 0.339 . . . . 41.23 110.918 -179.94 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 39' ' ' SER . . . . . 0.492 ' CB ' HG21 ' A' ' 24' ' ' VAL . 2.9 m -55.84 -25.38 41.69 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.183 -0.462 . . . . 70.12 110.889 -179.941 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . -70.73 -25.89 74.96 Favored Glycine 0 N--CA 1.451 -0.345 0 C-N-CA 120.789 -0.719 . . . . 64.15 112.454 -179.967 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 41' ' ' VAL . . . . . 0.742 ' O ' HG23 ' A' ' 45' ' ' VAL . 35.3 m -105.15 -24.11 4.17 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-O 120.837 0.351 . . . . 75.52 111.095 -179.947 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 42' ' ' PHE . . . . . . . . . . . . . 4.9 t80 -60.99 -37.72 83.49 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.214 -0.448 . . . . 73.43 110.875 -179.995 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 2.3 m -61.74 -45.37 94.21 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.186 -0.461 . . . . 72.21 111.155 -179.912 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -66.35 -33.17 75.12 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.217 -0.447 . . . . 73.14 111.138 179.831 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 45' ' ' VAL . . . . . 0.742 HG23 ' O ' ' A' ' 41' ' ' VAL . 83.3 t -63.52 -36.9 78.05 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.169 -0.469 . . . . 74.43 111.138 179.964 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 21.3 tttp -52.13 -51.76 55.87 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.176 -0.465 . . . . 45.13 110.862 179.926 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -63.36 -30.48 71.61 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.238 -0.437 . . . . 74.04 111.085 179.852 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 48' ' ' ALA . . . . . 0.455 ' HB3' ' O ' ' A' ' 45' ' ' VAL . . . -57.43 -40.41 78.32 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.217 -0.447 . . . . 53.54 111.089 179.94 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 49' ' ' ILE . . . . . . . . . . . . . 78.1 mt -56.37 -56.0 15.95 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.166 -0.47 . . . . 73.43 111.122 179.963 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -65.55 -24.39 67.09 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.191 -0.459 . . . . 61.55 111.098 179.832 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 9.7 tppt? -76.95 -33.59 57.68 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.228 -0.442 . . . . 64.34 110.903 179.974 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 52' ' ' GLN . . . . . . . . . . . . . 11.4 mm-40 -137.45 -72.85 0.42 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.181 -0.463 . . . . 73.45 110.919 179.927 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . 176.28 153.85 11.04 Favored Glycine 0 N--CA 1.452 -0.284 0 C-N-CA 120.746 -0.74 . . . . 64.02 112.502 -179.991 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 54' ' ' ILE . . . . . . . . . . . . . 16.7 pt -51.75 -35.2 17.33 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-O 120.912 0.386 . . . . 72.01 111.153 -179.949 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 18.8 ptmt -55.55 -45.0 77.3 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.187 -0.461 . . . . 74.24 110.892 179.829 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 3.6 mmmm -60.57 -36.73 79.21 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.26 -0.427 . . . . 74.11 110.87 179.905 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -56.3 -33.05 65.17 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.223 -0.444 . . . . 72.01 111.1 179.8 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 58' ' ' ILE . . . . . 0.798 HD13 HG21 ' A' ' 15' ' ' VAL . 40.7 mm -56.43 -57.32 9.42 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.221 -0.445 . . . . 62.54 111.146 179.998 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 59' ' ' GLN . . . . . . . . . . . . . 50.2 mt-30 -55.42 -29.83 59.32 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.192 -0.458 . . . . 61.14 110.89 179.936 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 60' ' ' LEU . . . . . 0.676 HD23 HG22 ' A' ' 45' ' ' VAL . 1.2 mp . . . . . 0 C--N 1.329 -0.313 0 CA-C-N 116.168 -0.469 . . . . 61.35 110.915 -179.948 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 1' ' ' LEU . . . . . . . . . . . . . 1.6 tp . . . . . 0 C--O 1.231 0.117 0 CA-C-O 120.81 0.338 . . . . 74.4 110.922 . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' A' A ' 2' ' ' VAL . . . . . 0.543 HG21 ' NE2' ' A' ' 8' ' ' GLN . 23.4 t -63.29 -48.94 85.06 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.232 -0.44 . . . . 73.15 111.124 179.847 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . -64.21 -30.98 72.01 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.19 -0.459 . . . . 63.31 111.08 179.914 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 4' ' ' TYR . . . . . 0.505 ' CE1' HG11 ' A' ' 41' ' ' VAL . 0.6 OUTLIER -74.18 -50.82 17.61 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.227 -0.442 . . . . 75.42 110.953 -179.903 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 5' ' ' GLY . . . . . 0.553 ' O ' HD13 ' A' ' 6' ' ' ILE . . . 149.74 52.47 0.02 OUTLIER Glycine 0 N--CA 1.452 -0.288 0 C-N-CA 120.72 -0.752 . . . . 55.43 112.48 -179.982 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 6' ' ' ILE . . . . . 0.682 HD11 ' HG ' ' A' ' 38' ' ' LEU . 49.6 mm -139.25 142.94 32.33 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.343 0 CA-C-O 120.801 0.334 . . . . 70.23 111.149 -179.941 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -51.6 132.98 30.86 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.168 -0.469 . . . . 71.54 111.057 179.865 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 8' ' ' GLN . . . . . 0.543 ' NE2' HG21 ' A' ' 2' ' ' VAL . 4.9 tp-100 -67.96 -55.92 10.93 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.212 -0.449 . . . . 61.52 110.948 -179.951 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -52.73 -41.64 57.99 Favored Glycine 0 N--CA 1.451 -0.315 0 C-N-CA 120.695 -0.764 . . . . 73.32 112.53 179.989 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 10' ' ' THR . . . . . 0.697 ' O ' HG23 ' A' ' 14' ' ' VAL . 96.3 m -76.74 -34.58 58.08 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.785 0.326 . . . . 74.13 111.195 -179.928 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 11' ' ' ALA . . . . . 0.745 ' O ' HG23 ' A' ' 15' ' ' VAL . . . -54.68 -38.48 67.03 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.166 -0.47 . . . . 75.33 111.122 179.853 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 10.6 tt0 -55.0 -56.67 17.11 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.21 -0.45 . . . . 70.42 110.919 -179.926 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 21.8 mtpp -61.98 -37.48 84.95 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.157 -0.474 . . . . 72.31 110.867 179.954 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 14' ' ' VAL . . . . . 0.697 HG23 ' O ' ' A' ' 10' ' ' THR . 94.4 t -60.48 -34.96 60.06 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.233 -0.439 . . . . 73.13 111.129 179.888 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 15' ' ' VAL . . . . . 0.745 HG23 ' O ' ' A' ' 11' ' ' ALA . 93.2 t -55.51 -31.1 27.37 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.18 -0.463 . . . . 64.21 111.144 179.905 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 23.6 t -58.63 -42.81 89.11 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.149 -0.478 . . . . 73.3 110.902 -179.887 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 17' ' ' LEU . . . . . 0.52 HD12 HD22 ' A' ' 22' ' ' LEU . 4.1 mm? -71.25 -39.23 71.75 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.111 -0.495 . . . . 54.44 110.942 179.967 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 18' ' ' ILE . . . . . . . . . . . . . 39.8 mt -65.02 -49.17 80.94 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.187 -0.46 . . . . 70.14 111.108 179.825 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 19.3 t-20 -57.3 -26.89 61.59 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.23 -0.441 . . . . 65.41 110.909 179.935 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 20' ' ' ALA . . . . . 0.459 ' HB3' HD13 ' A' ' 22' ' ' LEU . . . -65.01 -20.04 66.3 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.152 -0.476 . . . . 64.32 111.05 179.936 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . 91.57 17.53 48.8 Favored Glycine 0 N--CA 1.452 -0.296 0 C-N-CA 120.731 -0.747 . . . . 72.43 112.488 -179.982 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 22' ' ' LEU . . . . . 0.52 HD22 HD12 ' A' ' 17' ' ' LEU . 6.6 mp -74.88 145.34 42.81 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.867 0.365 . . . . 74.01 110.912 -179.875 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 12.1 p -76.94 158.21 30.83 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.231 -0.441 . . . . 55.44 111.09 179.981 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 19.0 m -51.49 -30.22 10.65 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.179 -0.464 . . . . 54.52 111.131 179.906 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . -55.51 -52.1 50.21 Favored Glycine 0 N--CA 1.452 -0.293 0 C-N-CA 120.737 -0.744 . . . . 73.13 112.503 179.922 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 49.1 m -63.57 -26.97 68.94 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.857 0.361 . . . . 72.24 110.902 -179.79 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 30.0 mm -64.97 -42.32 94.44 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.145 -0.479 . . . . 74.44 111.158 179.923 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 28' ' ' ILE . . . . . 0.665 HD13 HG23 ' A' ' 35' ' ' THR . 35.6 mm -60.45 -36.95 72.85 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.139 -0.482 . . . . 65.5 111.116 179.859 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 12.3 t -63.46 -30.94 71.99 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.209 -0.45 . . . . 54.04 110.883 -179.908 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 30' ' ' ILE . . . . . . . . . . . . . 44.1 mm -70.02 -60.71 2.17 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.105 -0.498 . . . . 54.41 111.158 179.931 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 31' ' ' LEU . . . . . 0.721 HD22 ' CB ' ' A' ' 35' ' ' THR . 4.3 mp -52.01 -41.99 62.67 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.157 -0.474 . . . . 55.21 110.873 179.897 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . 75.83 17.96 79.82 Favored Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.768 -0.73 . . . . 64.11 112.488 179.93 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -137.0 -176.71 14.51 Favored Glycine 0 N--CA 1.451 -0.353 0 C-N-CA 120.761 -0.733 . . . . 63.23 112.527 -179.953 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 34' ' ' VAL . . . . . . . . . . . . . 14.8 t -77.92 58.4 0.11 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-O 120.913 0.387 . . . . 72.03 111.125 -179.949 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 35' ' ' THR . . . . . 0.721 ' CB ' HD22 ' A' ' 31' ' ' LEU . 8.7 t -87.62 8.53 24.85 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.181 -0.463 . . . . 64.43 111.166 -179.981 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 36' ' ' VAL . . . . . . . . . . . . . 41.3 t -55.2 -25.2 16.35 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.201 -0.454 . . . . 63.23 111.144 179.92 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . -64.72 -46.09 90.85 Favored Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.736 -0.745 . . . . 74.14 112.482 179.993 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 38' ' ' LEU . . . . . 0.682 ' HG ' HD11 ' A' ' 6' ' ' ILE . 4.3 mm? -66.28 -26.48 67.36 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.781 0.324 . . . . 75.32 110.906 -179.924 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 3.6 p -52.56 -29.45 25.58 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.205 -0.452 . . . . 71.41 110.86 -179.935 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . -52.19 -33.23 37.74 Favored Glycine 0 N--CA 1.45 -0.376 0 C-N-CA 120.76 -0.734 . . . . 44.11 112.494 -179.972 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 41' ' ' VAL . . . . . 0.667 ' O ' HG23 ' A' ' 45' ' ' VAL . 27.2 m -104.88 -25.1 3.79 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-O 120.834 0.349 . . . . 74.24 111.139 -179.999 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 42' ' ' PHE . . . . . . . . . . . . . 5.4 t80 -52.14 -40.22 61.07 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.167 -0.47 . . . . 74.02 110.867 -179.971 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 1.9 m -61.29 -47.36 86.34 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.131 -0.486 . . . . 73.51 111.119 -179.888 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -66.4 -33.41 75.65 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.19 -0.459 . . . . 70.03 111.129 179.87 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 45' ' ' VAL . . . . . 0.667 HG23 ' O ' ' A' ' 41' ' ' VAL . 90.2 t -63.71 -47.55 90.59 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.222 -0.445 . . . . 42.32 111.111 179.983 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 12.4 tmtt? -53.39 -52.99 57.55 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.173 -0.467 . . . . 71.41 110.903 179.917 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -62.99 -33.85 76.28 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.2 -0.455 . . . . 41.21 111.144 179.776 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -57.19 -33.27 67.32 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.215 -0.448 . . . . 73.23 111.137 179.902 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 49' ' ' ILE . . . . . 0.525 HG12 ' HB2' ' A' ' 57' ' ' ALA . 75.1 mt -56.36 -54.95 21.97 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.156 -0.474 . . . . 50.24 111.138 179.976 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -65.01 -23.68 67.28 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.168 -0.469 . . . . 65.01 111.091 179.821 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 6.7 mmpt? -76.97 -42.69 37.94 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.224 -0.444 . . . . 70.23 110.849 -179.985 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 52' ' ' GLN . . . . . . . . . . . . . 83.4 mm-40 -119.13 -71.01 0.76 Allowed 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.231 -0.44 . . . . 72.24 110.914 179.968 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . 170.69 155.44 10.43 Favored Glycine 0 N--CA 1.45 -0.369 0 C-N-CA 120.807 -0.711 . . . . 62.12 112.552 -179.98 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 54' ' ' ILE . . . . . 0.539 ' O ' ' HB3' ' A' ' 57' ' ' ALA . 17.6 pt -51.87 -34.76 17.23 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-O 120.907 0.384 . . . . 75.04 111.136 -179.935 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 25.6 ttmt -54.75 -56.26 21.23 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.176 -0.465 . . . . 70.31 110.908 179.815 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 3.4 mptp? -57.8 -27.34 63.03 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.199 -0.455 . . . . 65.35 110.898 179.88 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 57' ' ' ALA . . . . . 0.539 ' HB3' ' O ' ' A' ' 54' ' ' ILE . . . -60.28 -42.05 94.61 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.197 -0.456 . . . . 51.21 111.112 179.808 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 58' ' ' ILE . . . . . 0.517 ' O ' HG23 ' A' ' 2' ' ' VAL . 71.9 mt -57.33 -60.01 2.57 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.203 -0.453 . . . . 74.14 111.128 -179.989 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 59' ' ' GLN . . . . . . . . . . . . . 76.0 mm-40 -56.03 -26.91 50.92 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.164 -0.471 . . . . 71.0 110.894 179.952 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 60' ' ' LEU . . . . . 0.4 HD22 ' CE2' ' A' ' 4' ' ' TYR . 1.6 mt . . . . . 0 C--N 1.328 -0.355 0 CA-C-N 116.2 -0.455 . . . . 70.33 110.934 -179.98 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 1' ' ' LEU . . . . . . . . . . . . . 76.4 mt . . . . . 0 C--O 1.23 0.075 0 CA-C-O 120.868 0.366 . . . . 72.32 110.95 . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' A' A ' 2' ' ' VAL . . . . . 0.454 HG23 ' O ' ' A' ' 58' ' ' ILE . 77.0 t -63.03 -50.17 80.58 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.179 -0.464 . . . . 33.43 111.088 179.848 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . -64.26 -32.52 74.14 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.193 -0.458 . . . . 71.41 111.085 179.907 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 4' ' ' TYR . . . . . 0.618 ' CZ ' HG11 ' A' ' 41' ' ' VAL . 67.3 t80 -74.52 -45.91 42.74 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.234 -0.439 . . . . 74.13 110.911 -179.84 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 5' ' ' GLY . . . . . 0.525 ' O ' HD13 ' A' ' 6' ' ' ILE . . . 152.35 57.38 0.01 OUTLIER Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.764 -0.731 . . . . 32.11 112.505 179.975 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 6' ' ' ILE . . . . . 0.525 HD13 ' O ' ' A' ' 5' ' ' GLY . 49.8 mm -136.49 140.36 43.51 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-O 120.891 0.377 . . . . 64.2 111.125 -179.985 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 7' ' ' ALA . . . . . 0.689 ' HB3' ' HB ' ' A' ' 10' ' ' THR . . . -51.6 134.48 29.64 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.159 -0.473 . . . . 63.4 111.085 179.804 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 45.0 mt-30 -67.74 -56.76 8.0 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.208 -0.451 . . . . 73.31 110.948 -179.968 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -59.46 -38.86 94.12 Favored Glycine 0 N--CA 1.451 -0.308 0 C-N-CA 120.697 -0.763 . . . . 72.44 112.51 -179.982 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 10' ' ' THR . . . . . 0.706 ' O ' HG23 ' A' ' 14' ' ' VAL . 95.8 m -74.6 -33.32 62.59 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.791 0.329 . . . . 74.44 111.188 -179.91 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 11' ' ' ALA . . . . . 0.696 ' O ' HG23 ' A' ' 15' ' ' VAL . . . -51.76 -43.37 62.92 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.179 -0.464 . . . . 43.22 111.103 179.848 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 47.6 mt-10 -52.01 -52.34 51.33 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.233 -0.44 . . . . 72.3 110.88 -179.916 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 5.5 ttmt -68.31 -42.0 80.04 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.162 -0.472 . . . . 74.51 110.945 179.961 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 14' ' ' VAL . . . . . 0.706 HG23 ' O ' ' A' ' 10' ' ' THR . 89.8 t -55.91 -47.84 79.32 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.26 0 CA-C-N 116.185 -0.461 . . . . 70.22 111.123 179.876 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 15' ' ' VAL . . . . . 0.828 HG21 HG12 ' A' ' 58' ' ' ILE . 93.7 t -55.53 -39.47 54.1 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.146 -0.479 . . . . 73.22 111.177 179.892 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 1.7 t -53.05 -39.15 63.05 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.128 -0.487 . . . . 54.22 110.862 -179.85 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 17' ' ' LEU . . . . . 0.512 HD21 HG13 ' A' ' 30' ' ' ILE . 4.5 mp -71.28 -31.01 66.96 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.153 -0.476 . . . . 74.32 110.955 179.95 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 18' ' ' ILE . . . . . . . . . . . . . 34.5 mt -65.11 -49.43 79.39 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.133 -0.485 . . . . 72.33 111.154 179.811 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 20.5 t-20 -58.26 -25.48 61.81 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.186 -0.461 . . . . 74.4 110.886 179.964 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -64.95 -20.12 66.31 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.165 -0.47 . . . . 73.02 111.102 179.84 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . 90.69 14.44 58.21 Favored Glycine 0 N--CA 1.451 -0.328 0 C-N-CA 120.754 -0.736 . . . . 75.11 112.434 -179.988 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 85.5 mt -74.91 160.43 30.62 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.889 0.376 . . . . 74.31 110.884 -179.941 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 68.6 p -84.24 155.6 22.4 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.178 -0.464 . . . . 73.54 111.139 179.924 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 24' ' ' VAL . . . . . 0.464 HG21 ' OG ' ' A' ' 39' ' ' SER . 14.0 p -51.43 -30.43 10.7 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.244 -0.435 . . . . 52.23 111.136 179.919 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . -57.08 -41.69 92.71 Favored Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.763 -0.732 . . . . 21.31 112.491 179.94 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 29.5 t -66.16 -26.95 67.66 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-O 120.85 0.357 . . . . 53.22 110.907 -179.757 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 35.4 mm -61.14 -54.97 27.96 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.088 -0.505 . . . . 63.2 111.166 179.929 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 28' ' ' ILE . . . . . 0.433 HG23 ' OG1' ' A' ' 35' ' ' THR . 30.5 mt -60.35 -33.4 53.83 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.16 -0.473 . . . . 70.23 111.135 179.851 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 1.8 t -59.92 -47.04 87.42 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.163 -0.471 . . . . 63.22 110.856 -179.917 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 30' ' ' ILE . . . . . 0.512 HG13 HD21 ' A' ' 17' ' ' LEU . 51.2 mm -76.74 -28.58 17.45 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 116.104 -0.498 . . . . 74.24 111.135 179.944 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 31' ' ' LEU . . . . . 0.744 ' HG ' HG21 ' A' ' 35' ' ' THR . 0.1 OUTLIER -66.43 -41.96 88.41 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.14 -0.482 . . . . 63.24 110.888 179.924 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . 72.12 57.91 5.45 Favored Glycine 0 N--CA 1.451 -0.345 0 C-N-CA 120.78 -0.724 . . . . 73.53 112.498 179.926 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -178.9 177.29 48.43 Favored Glycine 0 N--CA 1.452 -0.296 0 C-N-CA 120.746 -0.74 . . . . 65.13 112.464 -179.896 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 34' ' ' VAL . . . . . . . . . . . . . 16.1 m -77.35 59.98 0.12 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-O 120.961 0.41 . . . . 73.04 111.146 -179.98 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 35' ' ' THR . . . . . 0.744 HG21 ' HG ' ' A' ' 31' ' ' LEU . 0.8 OUTLIER -87.14 7.52 27.76 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.131 -0.486 . . . . 63.41 111.105 -179.954 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 36' ' ' VAL . . . . . . . . . . . . . 10.0 p -57.38 -23.18 18.8 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.248 -0.433 . . . . 63.24 111.088 179.93 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . -73.72 -48.54 16.83 Favored Glycine 0 N--CA 1.451 -0.302 0 C-N-CA 120.767 -0.73 . . . . 33.45 112.473 179.977 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 38' ' ' LEU . . . . . 0.455 ' O ' HG22 ' A' ' 41' ' ' VAL . 4.3 mm? -66.29 -25.68 66.97 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-O 120.799 0.333 . . . . 73.3 110.908 -179.897 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 39' ' ' SER . . . . . 0.464 ' OG ' HG21 ' A' ' 24' ' ' VAL . 1.2 t -55.54 -26.4 42.96 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.21 -0.45 . . . . 64.51 110.881 -179.943 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . -56.48 -30.57 58.96 Favored Glycine 0 N--CA 1.452 -0.3 0 C-N-CA 120.752 -0.737 . . . . 73.42 112.471 179.981 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 41' ' ' VAL . . . . . 0.711 ' O ' HG23 ' A' ' 45' ' ' VAL . 24.9 m -104.91 -24.12 4.16 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-O 120.864 0.364 . . . . 63.23 111.109 -179.911 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 42' ' ' PHE . . . . . . . . . . . . . 10.0 t80 -52.02 -54.39 30.49 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.193 -0.458 . . . . 74.21 110.88 -179.954 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 4.3 t -54.0 -41.13 67.62 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.119 -0.491 . . . . 74.1 111.202 -179.984 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -66.4 -35.06 79.37 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.227 -0.442 . . . . 65.43 111.117 179.826 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 45' ' ' VAL . . . . . 0.711 HG23 ' O ' ' A' ' 41' ' ' VAL . 55.4 t -63.69 -38.28 81.86 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.178 -0.465 . . . . 51.22 111.122 -179.971 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 50.8 tttm -51.9 -49.25 63.4 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.152 -0.476 . . . . 63.44 110.937 179.888 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -63.51 -30.62 71.71 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.211 -0.449 . . . . 74.52 111.088 179.851 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 48' ' ' ALA . . . . . 0.435 ' HB3' ' O ' ' A' ' 45' ' ' VAL . . . -58.59 -29.62 66.57 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.249 -0.432 . . . . 40.33 111.106 179.901 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 49' ' ' ILE . . . . . . . . . . . . . 64.3 mt -56.4 -54.63 25.98 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.342 0 CA-C-N 116.245 -0.434 . . . . 71.53 111.137 179.975 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -65.42 -24.19 67.14 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.194 -0.457 . . . . 63.43 111.15 179.763 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 34.7 mttt -76.93 -39.09 52.01 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.191 -0.459 . . . . 65.22 110.929 179.918 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 52' ' ' GLN . . . . . . . . . . . . . 9.5 mm100 -130.19 -68.59 0.7 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.245 -0.434 . . . . 73.54 110.937 179.938 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . 168.04 156.45 10.19 Favored Glycine 0 N--CA 1.452 -0.288 0 C-N-CA 120.726 -0.75 . . . . 45.33 112.459 179.985 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 54' ' ' ILE . . . . . . . . . . . . . 52.2 mt -53.89 -39.43 40.15 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-O 120.951 0.405 . . . . 71.3 111.157 -179.99 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 7.6 ptpp? -53.91 -45.56 71.18 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.181 -0.463 . . . . 75.15 110.874 179.885 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -65.99 -33.48 75.9 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.209 -0.45 . . . . 61.55 110.889 179.893 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -61.65 -41.77 97.98 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.253 -0.43 . . . . 74.2 111.118 179.814 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 58' ' ' ILE . . . . . 0.828 HG12 HG21 ' A' ' 15' ' ' VAL . 55.5 mt -56.74 -56.92 11.57 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.218 -0.446 . . . . 72.41 111.109 179.989 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 59' ' ' GLN . . . . . . . . . . . . . 42.8 mm-40 -57.0 -29.58 63.43 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.168 -0.469 . . . . 75.11 110.88 179.973 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 1.1 tp . . . . . 0 C--N 1.328 -0.329 0 CA-C-N 116.222 -0.445 . . . . 73.33 110.874 -179.949 . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' A' A ' 1' ' ' LEU . . . . . 0.444 HD22 HG13 ' A' ' 6' ' ' ILE . 45.2 mt . . . . . 0 C--O 1.231 0.116 0 CA-C-O 120.863 0.364 . . . . 71.25 110.908 . . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 2' ' ' VAL . . . . . 0.527 HG23 ' O ' ' A' ' 58' ' ' ILE . 34.9 t -63.33 -49.83 81.32 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.175 -0.466 . . . . 73.4 111.16 179.818 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . -64.35 -29.58 70.65 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.15 -0.477 . . . . 73.23 111.06 179.885 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 4' ' ' TYR . . . . . 0.644 ' HE2' HD12 ' A' ' 38' ' ' LEU . 77.6 t80 -73.97 -48.21 32.04 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.26 -0.427 . . . . 71.24 110.923 -179.86 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . 159.69 -27.04 0.35 Allowed Glycine 0 N--CA 1.452 -0.275 0 C-N-CA 120.732 -0.747 . . . . 73.05 112.466 180.0 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 6' ' ' ILE . . . . . 0.444 HG13 HD22 ' A' ' 1' ' ' LEU . 50.7 mm -58.98 130.15 22.02 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.35 0 CA-C-O 120.845 0.355 . . . . 73.35 111.092 -179.945 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -51.75 137.93 24.59 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.158 -0.473 . . . . 53.12 111.088 179.825 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 14.0 pt20 -68.02 -41.93 81.42 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.264 -0.426 . . . . 70.23 110.935 -179.95 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -53.77 -50.76 52.87 Favored Glycine 0 N--CA 1.451 -0.326 0 C-N-CA 120.764 -0.731 . . . . 62.43 112.482 -179.953 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 10' ' ' THR . . . . . 0.694 ' O ' HG23 ' A' ' 14' ' ' VAL . 95.6 m -76.55 -33.22 58.54 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.838 0.352 . . . . 71.03 111.115 -179.839 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 11' ' ' ALA . . . . . 0.751 ' O ' HG23 ' A' ' 15' ' ' VAL . . . -51.68 -48.56 63.41 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.203 -0.453 . . . . 64.11 111.116 179.864 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 6.5 mt-10 -52.08 -48.84 64.48 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.228 -0.442 . . . . 72.4 110.882 -179.9 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 3.3 ttmp? -67.49 -39.88 85.21 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.197 -0.456 . . . . 74.35 110.915 179.947 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 14' ' ' VAL . . . . . 0.694 HG23 ' O ' ' A' ' 10' ' ' THR . 90.2 t -61.12 -35.07 63.1 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.195 -0.457 . . . . 45.25 111.163 179.821 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 15' ' ' VAL . . . . . 0.751 HG23 ' O ' ' A' ' 11' ' ' ALA . 93.5 t -55.58 -44.68 77.41 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.16 -0.473 . . . . 74.52 111.179 179.896 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 4.9 m -54.33 -34.41 60.99 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.152 -0.476 . . . . 73.24 110.817 -179.818 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 4.2 mp -71.23 -35.45 71.49 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.15 -0.477 . . . . 75.33 110.906 -179.986 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 18' ' ' ILE . . . . . . . . . . . . . 34.8 mt -64.97 -49.83 77.83 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.353 0 CA-C-N 116.192 -0.458 . . . . 50.41 111.145 179.84 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 27.6 t-20 -58.62 -28.83 66.01 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.18 -0.463 . . . . 74.3 110.886 179.945 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 20' ' ' ALA . . . . . 0.608 ' HB3' HD23 ' A' ' 22' ' ' LEU . . . -65.09 -20.05 66.29 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.13 -0.487 . . . . 32.44 111.129 179.854 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . 101.81 18.08 19.12 Favored Glycine 0 N--CA 1.452 -0.262 0 C-N-CA 120.729 -0.748 . . . . 55.43 112.506 -179.938 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 22' ' ' LEU . . . . . 0.64 HD12 ' CB ' ' A' ' 26' ' ' SER . 4.5 mm? -74.89 136.37 41.46 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.939 0.4 . . . . 73.35 110.933 -179.889 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 20.7 p -83.67 161.41 21.08 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.163 -0.471 . . . . 73.4 111.166 179.959 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 24' ' ' VAL . . . . . 0.403 HG23 ' HB3' ' A' ' 42' ' ' PHE . 11.4 p -51.42 -30.9 11.31 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.227 -0.442 . . . . 61.44 111.112 179.899 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . -65.45 -39.63 95.81 Favored Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.764 -0.731 . . . . 72.04 112.457 -179.998 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 26' ' ' SER . . . . . 0.64 ' CB ' HD12 ' A' ' 22' ' ' LEU . 1.4 t -70.68 -32.75 70.11 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.796 0.332 . . . . 65.44 110.839 -179.726 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 35.9 mm -60.37 -55.0 27.25 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.154 -0.475 . . . . 63.42 111.153 179.972 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 28' ' ' ILE . . . . . 0.679 HD11 ' OG ' ' A' ' 39' ' ' SER . 83.2 mt -53.46 -34.2 22.9 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.168 -0.469 . . . . 65.0 111.126 179.847 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 15.6 t -63.53 -30.67 71.75 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.197 -0.456 . . . . 71.23 110.869 -179.946 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 30' ' ' ILE . . . . . . . . . . . . . 43.5 mm -69.73 -61.08 1.83 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.181 -0.463 . . . . 65.41 111.188 179.933 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 6.6 mp -63.05 -42.85 99.81 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.177 -0.465 . . . . 54.33 110.914 179.874 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . 50.01 58.03 9.18 Favored Glycine 0 N--CA 1.451 -0.342 0 C-N-CA 120.769 -0.729 . . . . 50.13 112.5 179.907 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -148.6 -147.57 4.56 Favored Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 120.752 -0.737 . . . . 61.12 112.48 -179.906 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 34' ' ' VAL . . . . . . . . . . . . . 32.3 m -78.21 -1.96 4.46 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-O 120.851 0.358 . . . . 75.42 111.133 179.958 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 71.3 p -78.21 -2.72 39.13 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.223 -0.444 . . . . 73.14 111.14 -179.946 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 36' ' ' VAL . . . . . 0.659 HG23 HG21 ' A' ' 28' ' ' ILE . 6.1 p -56.27 -24.33 17.99 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.264 0 CA-C-N 116.217 -0.447 . . . . 73.55 111.146 179.895 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . -91.21 -32.44 8.87 Favored Glycine 0 N--CA 1.452 -0.288 0 C-N-CA 120.688 -0.768 . . . . 71.32 112.501 179.998 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 38' ' ' LEU . . . . . 0.727 ' O ' HG22 ' A' ' 41' ' ' VAL . 4.3 mm? -66.19 -20.98 66.29 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-O 120.796 0.331 . . . . 61.44 110.893 -179.954 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 39' ' ' SER . . . . . 0.679 ' OG ' HD11 ' A' ' 28' ' ' ILE . 0.9 OUTLIER -58.56 -22.0 54.39 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.16 -0.473 . . . . 71.55 110.891 -179.892 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . -53.51 -26.29 30.37 Favored Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 120.719 -0.753 . . . . 31.32 112.479 -179.955 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 41' ' ' VAL . . . . . 0.727 HG22 ' O ' ' A' ' 38' ' ' LEU . 18.7 m -93.36 -20.3 6.42 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-O 120.889 0.376 . . . . 72.31 111.16 179.985 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 42' ' ' PHE . . . . . 0.403 ' HB3' HG23 ' A' ' 24' ' ' VAL . 4.6 t80 -55.15 -38.54 68.4 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.142 -0.481 . . . . 75.11 110.867 -179.982 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 21.3 m -58.46 -47.64 83.33 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.175 -0.466 . . . . 64.21 111.123 -179.882 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -65.7 -30.6 71.31 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.235 -0.439 . . . . 71.23 111.103 179.862 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 45' ' ' VAL . . . . . 0.634 HG23 ' O ' ' A' ' 41' ' ' VAL . 53.3 t -65.8 -44.73 92.88 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.202 -0.454 . . . . 73.42 111.141 179.953 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 1.2 tmtp? -53.96 -48.18 70.55 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.143 -0.48 . . . . 74.44 110.892 179.95 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -60.28 -30.75 69.66 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.258 -0.428 . . . . 73.14 111.083 179.804 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 48' ' ' ALA . . . . . 0.445 ' HB3' ' O ' ' A' ' 45' ' ' VAL . . . -58.88 -36.91 75.41 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.241 -0.436 . . . . 75.34 111.062 179.972 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 49' ' ' ILE . . . . . . . . . . . . . 68.3 mt -56.38 -55.78 17.18 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.243 -0.435 . . . . 72.41 111.133 179.981 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -65.42 -23.7 67.01 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.184 -0.462 . . . . 62.5 111.115 179.846 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 30.2 tttp -76.98 -37.46 55.1 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.206 -0.452 . . . . 74.23 110.877 179.925 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 52' ' ' GLN . . . . . . . . . . . . . 71.0 mm-40 -133.89 -67.79 0.58 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.225 -0.443 . . . . 65.01 110.87 -179.986 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . 169.91 156.07 10.7 Favored Glycine 0 N--CA 1.451 -0.361 0 C-N-CA 120.746 -0.74 . . . . 43.33 112.472 -179.948 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 54' ' ' ILE . . . . . . . . . . . . . 22.0 pt -51.67 -32.58 14.17 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-O 120.902 0.382 . . . . 72.22 111.146 -179.994 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -56.69 -42.14 78.55 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.157 -0.474 . . . . 63.31 110.867 179.894 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 17.0 tppt? -66.47 -35.21 79.72 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.205 -0.452 . . . . 64.22 110.892 179.879 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -60.49 -38.56 84.69 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.218 -0.446 . . . . 73.55 111.113 179.814 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 58' ' ' ILE . . . . . 0.527 ' O ' HG23 ' A' ' 2' ' ' VAL . 69.4 mt -56.46 -59.91 2.44 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.354 0 CA-C-N 116.268 -0.424 . . . . 71.02 111.146 179.952 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 59' ' ' GLN . . . . . . . . . . . . . 34.7 mm-40 -58.19 -27.2 63.65 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.152 -0.476 . . . . 61.23 110.929 179.913 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 C--N 1.328 -0.337 0 CA-C-N 116.201 -0.454 . . . . 74.04 110.907 -179.987 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 1' ' ' LEU . . . . . 0.556 HD22 HG13 ' A' ' 6' ' ' ILE . 39.6 mt . . . . . 0 C--O 1.231 0.11 0 CA-C-O 120.795 0.331 . . . . 73.41 110.912 . . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 2' ' ' VAL . . . . . 0.651 HG22 ' HA ' ' A' ' 8' ' ' GLN . 67.9 t -63.22 -50.04 80.67 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.228 -0.442 . . . . 74.22 111.117 179.859 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . -64.44 -28.99 70.05 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.17 -0.468 . . . . 72.4 111.078 179.892 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 4' ' ' TYR . . . . . . . . . . . . . 85.6 t80 -73.98 -48.31 31.23 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.218 -0.446 . . . . 70.43 110.921 -179.889 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . 160.22 -27.57 0.33 Allowed Glycine 0 N--CA 1.451 -0.307 0 C-N-CA 120.791 -0.719 . . . . 72.41 112.491 179.992 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 6' ' ' ILE . . . . . 0.556 HG13 HD22 ' A' ' 1' ' ' LEU . 50.6 mm -57.8 137.69 19.66 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.342 0 CA-C-O 120.818 0.342 . . . . 74.42 111.131 -179.985 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 7' ' ' ALA . . . . . 0.465 ' O ' ' HB2' ' A' ' 11' ' ' ALA . . . -51.64 139.52 20.66 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.183 -0.462 . . . . 73.24 111.102 179.817 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 8' ' ' GLN . . . . . 0.651 ' HA ' HG22 ' A' ' 2' ' ' VAL . 6.6 pt20 -67.88 -42.82 80.67 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.244 -0.435 . . . . 71.55 110.952 -179.977 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -62.33 -46.51 93.74 Favored Glycine 0 N--CA 1.451 -0.354 0 C-N-CA 120.781 -0.723 . . . . 51.43 112.507 179.982 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 88.2 m -77.0 -25.88 53.21 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-O 120.815 0.34 . . . . 53.14 111.14 -179.864 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 11' ' ' ALA . . . . . 0.745 ' O ' HG23 ' A' ' 15' ' ' VAL . . . -51.53 -36.86 46.72 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.207 -0.451 . . . . 74.3 111.054 179.91 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 13.3 mt-10 -72.26 -32.94 67.12 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.236 -0.438 . . . . 63.23 110.838 -179.879 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 29.7 mttm -69.42 -54.26 15.24 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.208 -0.451 . . . . 75.14 110.888 179.953 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 16.9 m -52.08 -34.91 18.17 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.252 -0.431 . . . . 73.31 111.112 179.888 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 15' ' ' VAL . . . . . 0.745 HG23 ' O ' ' A' ' 11' ' ' ALA . 53.8 t -55.57 -34.71 35.98 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.183 -0.462 . . . . 43.31 111.19 179.9 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 1.7 t -59.53 -37.61 78.83 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.177 -0.465 . . . . 74.3 110.88 -179.873 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 2.5 mp -71.38 -29.14 64.6 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.069 -0.514 . . . . 72.51 110.885 -179.965 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 18' ' ' ILE . . . . . . . . . . . . . 24.2 mt -65.27 -49.62 77.89 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.223 -0.444 . . . . 74.14 111.108 179.849 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 4.9 t-20 -55.81 -29.81 60.35 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.189 -0.46 . . . . 65.05 110.865 179.981 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 20' ' ' ALA . . . . . 0.586 ' HB3' HD23 ' A' ' 22' ' ' LEU . . . -64.94 -20.15 66.32 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.221 -0.445 . . . . 70.33 111.131 179.837 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . 95.94 17.71 34.31 Favored Glycine 0 N--CA 1.451 -0.362 0 C-N-CA 120.757 -0.735 . . . . 72.32 112.492 -179.952 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 22' ' ' LEU . . . . . 0.586 HD23 ' HB3' ' A' ' 20' ' ' ALA . 4.5 mm? -74.85 135.37 41.58 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-O 120.862 0.363 . . . . 71.21 110.905 -179.915 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 36.1 p -76.78 157.0 31.92 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.198 -0.455 . . . . 62.43 111.129 179.942 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 24' ' ' VAL . . . . . 0.406 HG11 ' OG1' ' A' ' 43' ' ' THR . 19.5 m -51.3 -30.44 10.27 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.186 -0.461 . . . . 53.31 111.167 179.904 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . -57.61 -46.54 91.99 Favored Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.711 -0.757 . . . . 74.21 112.489 179.987 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 2.8 m -70.8 -26.96 63.56 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.816 0.341 . . . . 54.34 110.84 -179.739 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 41.5 mm -60.27 -41.38 86.82 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 116.163 -0.471 . . . . 75.35 111.146 179.906 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 28' ' ' ILE . . . . . . . . . . . . . 41.0 mt -60.72 -43.9 96.11 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.178 -0.464 . . . . 64.3 111.167 179.841 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 2.8 t -63.92 -45.36 89.61 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.189 -0.459 . . . . 71.52 110.829 -179.915 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 30' ' ' ILE . . . . . . . . . . . . . 45.4 mm -70.02 -27.17 31.68 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.156 -0.475 . . . . 73.51 111.121 179.969 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 31' ' ' LEU . . . . . 0.643 HD11 HD11 ' A' ' 38' ' ' LEU . 0.3 OUTLIER -57.96 -22.84 51.12 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.156 -0.474 . . . . 73.55 110.935 179.907 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . 88.19 29.88 18.57 Favored Glycine 0 N--CA 1.452 -0.292 0 C-N-CA 120.712 -0.756 . . . . 74.44 112.526 179.93 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . 157.65 141.88 3.27 Favored Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 120.783 -0.722 . . . . 71.24 112.494 -179.907 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 34' ' ' VAL . . . . . 0.465 ' O ' HG23 ' A' ' 34' ' ' VAL . 8.2 m -69.72 101.88 0.76 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-O 120.89 0.376 . . . . 64.43 111.177 180.0 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 35' ' ' THR . . . . . 0.617 HG21 ' HG ' ' A' ' 38' ' ' LEU . 8.7 t -81.81 -36.68 28.11 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.188 -0.46 . . . . 65.1 111.148 -179.949 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 36' ' ' VAL . . . . . . . . . . . . . 22.1 t 50.44 65.63 0.17 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.224 -0.444 . . . . 64.35 111.164 179.908 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 174.03 -65.98 0.11 Allowed Glycine 0 N--CA 1.452 -0.299 0 C-N-CA 120.735 -0.745 . . . . 74.04 112.485 -179.995 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 38' ' ' LEU . . . . . 0.643 HD11 HD11 ' A' ' 31' ' ' LEU . 1.5 pp -59.78 -20.26 55.6 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-O 120.833 0.349 . . . . 72.44 110.912 -179.894 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -69.98 -43.83 70.67 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.163 -0.471 . . . . 72.34 110.84 -179.886 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . -60.49 -29.08 68.57 Favored Glycine 0 N--CA 1.451 -0.308 0 C-N-CA 120.745 -0.74 . . . . 75.53 112.447 -179.974 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 41' ' ' VAL . . . . . . . . . . . . . 7.2 p -93.12 -21.51 6.08 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.258 0 CA-C-O 120.831 0.348 . . . . 63.44 111.134 -179.962 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 42' ' ' PHE . . . . . . . . . . . . . 17.7 t80 -51.84 -45.85 64.15 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.224 -0.444 . . . . 74.01 110.9 179.949 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 43' ' ' THR . . . . . 0.406 ' OG1' HG11 ' A' ' 24' ' ' VAL . 0.5 OUTLIER -54.65 -46.59 73.98 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.114 -0.494 . . . . 53.34 111.153 -179.923 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -58.85 -33.76 70.81 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.236 -0.438 . . . . 75.23 111.14 179.832 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 45' ' ' VAL . . . . . 0.755 HG22 HD23 ' A' ' 60' ' ' LEU . 93.7 t -70.79 -46.96 66.16 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.234 -0.439 . . . . 70.2 111.1 179.972 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 8.6 tmtt? -57.79 -48.48 79.56 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.169 -0.469 . . . . 74.25 110.864 179.954 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -59.13 -35.19 73.05 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.28 -0.418 . . . . 73.41 111.118 179.833 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -57.4 -28.23 63.05 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.189 -0.459 . . . . 31.24 111.078 179.961 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 49' ' ' ILE . . . . . . . . . . . . . 72.8 mt -56.5 -56.02 16.06 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.233 -0.439 . . . . 71.24 111.122 -179.999 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -65.82 -23.57 66.72 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.182 -0.463 . . . . 51.14 111.115 179.833 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 1.5 tppp? -76.94 -36.6 56.45 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.189 -0.459 . . . . 53.42 110.86 179.986 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 52' ' ' GLN . . . . . . . . . . . . . 2.9 mp0 -135.92 -69.85 0.48 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.251 -0.431 . . . . 72.22 110.914 179.974 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . 175.12 155.45 12.57 Favored Glycine 0 N--CA 1.451 -0.344 0 C-N-CA 120.731 -0.747 . . . . 44.03 112.489 -179.98 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 54' ' ' ILE . . . . . . . . . . . . . 23.4 pt -51.42 -31.27 11.79 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-O 120.969 0.414 . . . . 73.13 111.158 179.992 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -56.6 -36.86 69.89 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.149 -0.478 . . . . 73.33 110.887 179.878 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 47.6 mmtt -66.24 -40.65 90.37 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.218 -0.446 . . . . 62.24 110.916 179.878 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -55.76 -34.96 65.69 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.202 -0.453 . . . . 73.52 111.09 179.857 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 58' ' ' ILE . . . . . 0.521 ' O ' HG23 ' A' ' 2' ' ' VAL . 71.4 mt -60.63 -57.58 11.36 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.247 -0.433 . . . . 72.41 111.12 179.924 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 59' ' ' GLN . . . . . . . . . . . . . 75.0 mm-40 -57.07 -31.71 65.5 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.171 -0.468 . . . . 71.34 110.905 179.962 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 60' ' ' LEU . . . . . 0.755 HD23 HG22 ' A' ' 45' ' ' VAL . 1.1 mp . . . . . 0 C--N 1.329 -0.312 0 CA-C-N 116.263 -0.426 . . . . 75.31 110.849 -179.962 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 1' ' ' LEU . . . . . 0.421 HD22 HG13 ' A' ' 6' ' ' ILE . 58.9 mt . . . . . 0 C--O 1.231 0.104 0 CA-C-O 120.838 0.351 . . . . 72.2 110.915 . . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 2' ' ' VAL . . . . . 0.475 HG23 ' O ' ' A' ' 58' ' ' ILE . 92.5 t -62.96 -48.91 85.76 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.163 -0.471 . . . . 72.45 111.128 179.827 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . -63.84 -32.63 74.21 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.227 -0.442 . . . . 45.1 111.074 179.869 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 4' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER -74.43 -50.93 16.45 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.225 -0.443 . . . . 75.05 110.929 -179.817 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . 160.11 55.5 0.01 OUTLIER Glycine 0 N--CA 1.452 -0.286 0 C-N-CA 120.677 -0.773 . . . . 71.04 112.427 179.998 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 6' ' ' ILE . . . . . 0.604 HD11 HD12 ' A' ' 38' ' ' LEU . 41.5 mm -134.35 144.39 35.32 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-O 120.826 0.346 . . . . 72.04 111.108 -179.999 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 7' ' ' ALA . . . . . 0.769 ' HB3' ' HB ' ' A' ' 10' ' ' THR . . . -51.48 144.61 9.99 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.155 -0.475 . . . . 73.4 111.072 179.804 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 6.3 tp-100 -67.35 -57.04 7.34 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.152 -0.477 . . . . 72.11 110.925 -179.92 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -67.63 -33.99 82.44 Favored Glycine 0 N--CA 1.452 -0.284 0 C-N-CA 120.743 -0.741 . . . . 73.04 112.477 -179.997 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 10' ' ' THR . . . . . 0.769 ' HB ' ' HB3' ' A' ' 7' ' ' ALA . 7.4 m -77.1 -25.65 52.47 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.734 0.302 . . . . 75.54 111.085 -179.853 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 11' ' ' ALA . . . . . 0.643 ' O ' HG23 ' A' ' 15' ' ' VAL . . . -50.96 -38.73 52.53 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.264 -0.425 . . . . 60.12 111.097 179.858 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 9.1 tt0 -71.82 -33.55 68.6 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.217 -0.447 . . . . 73.34 110.886 -179.912 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 51.9 mttp -69.32 -54.47 14.42 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.172 -0.467 . . . . 72.22 110.874 179.976 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 15.3 m -52.65 -41.31 37.3 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.247 -0.433 . . . . 65.43 111.098 179.904 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 15' ' ' VAL . . . . . 0.643 HG23 ' O ' ' A' ' 11' ' ' ALA . 63.6 t -59.48 -43.93 91.73 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.158 -0.474 . . . . 75.11 111.144 179.919 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 4.0 t -53.68 -34.57 59.14 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.169 -0.469 . . . . 63.51 110.88 -179.905 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 1.5 mt -71.54 -28.47 63.89 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.108 -0.497 . . . . 74.03 110.939 -179.989 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 18' ' ' ILE . . . . . . . . . . . . . 17.7 mt -65.52 -34.36 69.92 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.194 -0.457 . . . . 64.2 111.102 179.868 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 17.9 t-20 -57.4 -23.94 52.39 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.227 -0.442 . . . . 63.44 110.862 179.943 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -64.83 -20.03 66.18 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.202 -0.454 . . . . 64.34 111.093 179.872 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . 81.63 7.85 87.63 Favored Glycine 0 N--CA 1.452 -0.277 0 C-N-CA 120.726 -0.75 . . . . 72.44 112.465 -179.963 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 22' ' ' LEU . . . . . 0.569 HD12 ' OG ' ' A' ' 26' ' ' SER . 1.6 pt? -69.96 169.31 13.54 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.909 0.385 . . . . 73.24 110.913 -179.88 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 12.2 p -84.04 149.15 26.44 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.192 -0.458 . . . . 72.41 111.142 179.952 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 6.7 p -51.4 -33.03 13.86 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.227 -0.442 . . . . 75.34 111.129 179.903 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . -53.34 -35.1 49.6 Favored Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.722 -0.752 . . . . 75.53 112.494 -179.998 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 26' ' ' SER . . . . . 0.569 ' OG ' HD12 ' A' ' 22' ' ' LEU . 22.1 t -70.7 -27.03 63.69 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.834 0.35 . . . . 75.21 110.837 -179.787 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 38.1 mm -60.28 -49.28 84.8 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.152 -0.476 . . . . 71.55 111.124 179.942 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 28' ' ' ILE . . . . . 0.529 HD11 ' CB ' ' A' ' 39' ' ' SER . 59.9 mt -60.5 -40.63 84.94 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.194 -0.457 . . . . 65.43 111.176 179.876 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 2.4 t -55.49 -39.19 70.13 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.14 -0.482 . . . . 63.34 110.834 -179.906 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 30' ' ' ILE . . . . . . . . . . . . . 50.7 mm -74.45 -24.5 18.77 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-N 116.114 -0.494 . . . . 65.21 111.143 179.94 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 31' ' ' LEU . . . . . 0.941 HD22 HG21 ' A' ' 35' ' ' THR . 6.4 mt -78.48 -27.06 46.2 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.152 -0.477 . . . . 55.23 110.921 179.898 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . 128.04 -38.04 2.17 Favored Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.759 -0.734 . . . . 30.15 112.503 179.948 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 33' ' ' GLY . . . . . 0.573 ' O ' HG13 ' A' ' 36' ' ' VAL . . . 124.31 -23.63 6.4 Favored Glycine 0 N--CA 1.451 -0.353 0 C-N-CA 120.8 -0.714 . . . . 42.53 112.51 -179.918 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 34' ' ' VAL . . . . . . . . . . . . . 25.1 m -77.57 -13.03 14.09 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-O 120.899 0.381 . . . . 75.5 111.141 -179.976 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 35' ' ' THR . . . . . 0.941 HG21 HD22 ' A' ' 31' ' ' LEU . 80.6 p -87.27 8.17 25.37 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.133 -0.485 . . . . 73.2 111.12 -179.997 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 36' ' ' VAL . . . . . 0.573 HG13 ' O ' ' A' ' 33' ' ' GLY . 4.4 m -53.16 101.47 0.04 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.237 -0.438 . . . . 64.25 111.14 179.915 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 165.95 -45.99 0.27 Allowed Glycine 0 N--CA 1.451 -0.323 0 C-N-CA 120.767 -0.73 . . . . 72.33 112.494 -179.994 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 38' ' ' LEU . . . . . 0.604 HD12 HD11 ' A' ' 6' ' ' ILE . 2.0 pt? -66.2 -18.18 65.19 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-O 120.83 0.348 . . . . 73.43 110.921 -179.918 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 39' ' ' SER . . . . . 0.529 ' CB ' HD11 ' A' ' 28' ' ' ILE . 1.9 t -57.17 -23.83 50.18 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.191 -0.459 . . . . 71.44 110.863 -179.954 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . -74.24 -24.12 74.15 Favored Glycine 0 N--CA 1.451 -0.333 0 C-N-CA 120.701 -0.762 . . . . 71.33 112.496 -179.975 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 41' ' ' VAL . . . . . 0.448 HG22 ' O ' ' A' ' 38' ' ' LEU . 35.0 m -105.18 -24.39 4.06 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-O 120.854 0.359 . . . . 72.52 111.164 179.978 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 42' ' ' PHE . . . . . . . . . . . . . 11.9 t80 -54.13 -54.48 39.02 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.174 -0.466 . . . . 72.53 110.903 -179.975 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 1.1 m -54.01 -43.11 69.78 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.102 -0.499 . . . . 53.22 111.154 -179.923 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -59.86 -40.54 88.96 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.229 -0.441 . . . . 41.5 111.089 179.875 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 45' ' ' VAL . . . . . 0.609 HG22 HD23 ' A' ' 60' ' ' LEU . 89.2 t -70.54 -33.69 54.4 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.24 -0.436 . . . . 64.14 111.115 -180.0 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 19.0 ttpt -55.89 -52.97 62.21 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.203 -0.453 . . . . 75.44 110.875 179.927 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -57.38 -32.75 67.1 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.205 -0.452 . . . . 74.22 111.097 179.849 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 48' ' ' ALA . . . . . 0.414 ' HB3' ' O ' ' A' ' 45' ' ' VAL . . . -58.01 -31.12 66.65 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.197 -0.456 . . . . 74.31 111.102 179.945 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 49' ' ' ILE . . . . . . . . . . . . . 79.9 mt -56.38 -55.82 16.93 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.361 0 CA-C-N 116.222 -0.445 . . . . 72.42 111.142 179.993 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -62.31 -24.38 67.27 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.149 -0.478 . . . . 73.23 111.128 179.764 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 1.3 mmmm -77.11 -45.98 25.08 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.208 -0.451 . . . . 72.42 110.891 -179.998 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 52' ' ' GLN . . . . . . . . . . . . . 29.0 mm-40 -122.12 -72.83 0.67 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.198 -0.456 . . . . 65.21 110.896 179.966 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . 173.73 154.82 11.04 Favored Glycine 0 N--CA 1.451 -0.364 0 C-N-CA 120.802 -0.713 . . . . 63.12 112.55 -179.964 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 54' ' ' ILE . . . . . . . . . . . . . 17.5 pt -51.77 -34.78 16.93 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-O 120.911 0.386 . . . . 63.33 111.153 -179.938 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 13.0 ptpt -56.75 -45.17 82.18 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.124 -0.489 . . . . 74.21 110.914 179.795 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 3.0 mmmp? -66.18 -36.96 84.46 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.199 -0.455 . . . . 72.3 110.874 179.91 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -56.83 -32.98 66.29 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.238 -0.437 . . . . 72.52 111.056 179.858 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 58' ' ' ILE . . . . . 0.475 ' O ' HG23 ' A' ' 2' ' ' VAL . 77.8 mt -56.44 -59.46 2.89 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.212 -0.449 . . . . 64.45 111.086 -179.995 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 59' ' ' GLN . . . . . . . . . . . . . 33.1 mm-40 -54.8 -31.01 58.5 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.204 -0.453 . . . . 71.33 110.881 180.0 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 60' ' ' LEU . . . . . 0.609 HD23 HG22 ' A' ' 45' ' ' VAL . 1.2 mp . . . . . 0 C--N 1.328 -0.344 0 CA-C-N 116.196 -0.456 . . . . 51.11 110.899 -179.941 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 1' ' ' LEU . . . . . . . . . . . . . 1.7 mp . . . . . 0 C--O 1.231 0.109 0 CA-C-O 120.886 0.374 . . . . 75.35 110.926 . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' A' A ' 2' ' ' VAL . . . . . 0.496 HG23 ' O ' ' A' ' 58' ' ' ILE . 25.5 t -62.95 -49.96 81.51 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.179 -0.464 . . . . 75.24 111.114 179.837 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . -64.18 -29.75 70.84 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.202 -0.454 . . . . 74.55 111.135 179.874 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 4' ' ' TYR . . . . . . . . . . . . . 1.7 m-85 -74.08 -48.5 29.38 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.178 -0.464 . . . . 70.32 110.933 -179.882 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . 160.68 -27.67 0.31 Allowed Glycine 0 N--CA 1.451 -0.335 0 C-N-CA 120.815 -0.707 . . . . 75.13 112.552 -179.988 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 50.0 mm -57.81 128.19 18.01 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-O 120.848 0.356 . . . . 71.42 111.144 179.993 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -51.41 132.0 29.21 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.151 -0.477 . . . . 65.42 111.144 179.817 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 3.4 pm0 -62.38 -32.03 72.78 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.224 -0.443 . . . . 45.41 110.859 -179.893 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -63.45 -51.14 56.78 Favored Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.752 -0.737 . . . . 63.02 112.479 -179.972 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 10' ' ' THR . . . . . 0.698 ' O ' HG23 ' A' ' 14' ' ' VAL . 93.1 m -77.11 -32.22 56.4 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-O 120.771 0.32 . . . . 72.14 111.123 -179.829 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 11' ' ' ALA . . . . . 0.75 ' O ' HG23 ' A' ' 15' ' ' VAL . . . -52.04 -44.69 64.35 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.23 -0.441 . . . . 72.41 111.068 179.851 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 60.6 mt-10 -52.19 -51.43 58.16 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.238 -0.437 . . . . 75.11 110.88 -179.92 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 46.5 mttp -67.53 -38.48 84.29 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.195 -0.457 . . . . 70.14 110.93 179.947 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 14' ' ' VAL . . . . . 0.698 HG23 ' O ' ' A' ' 10' ' ' THR . 99.3 t -60.21 -34.98 59.13 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.191 -0.459 . . . . 73.13 111.117 179.887 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 15' ' ' VAL . . . . . 0.75 HG23 ' O ' ' A' ' 11' ' ' ALA . 97.9 t -55.45 -44.51 76.25 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.164 -0.471 . . . . 72.15 111.15 179.947 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 27.9 t -53.22 -35.34 59.8 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.132 -0.486 . . . . 71.5 110.843 -179.819 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 5.0 mp -71.37 -36.43 71.45 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.107 -0.497 . . . . 74.15 110.868 -179.974 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 18' ' ' ILE . . . . . . . . . . . . . 33.6 mt -64.98 -49.76 78.15 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.179 -0.464 . . . . 50.32 111.164 179.817 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 34.1 t30 -58.28 -28.52 65.06 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.147 -0.479 . . . . 75.42 110.855 179.997 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 20' ' ' ALA . . . . . 0.613 ' HB3' HD23 ' A' ' 22' ' ' LEU . . . -65.37 -20.12 66.25 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.211 -0.45 . . . . 65.03 111.087 179.868 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . 96.75 19.63 26.51 Favored Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 120.708 -0.758 . . . . 74.32 112.519 -179.911 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 22' ' ' LEU . . . . . 0.613 HD23 ' HB3' ' A' ' 20' ' ' ALA . 4.4 mm? -74.82 136.29 41.6 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.897 0.379 . . . . 75.44 110.898 -179.935 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 3.1 p -77.26 156.73 31.22 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.23 -0.441 . . . . 73.3 111.141 179.905 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 19.6 m -51.49 -30.47 10.96 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.215 -0.448 . . . . 61.33 111.104 179.948 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . -58.97 -46.25 93.95 Favored Glycine 0 N--CA 1.451 -0.303 0 C-N-CA 120.73 -0.748 . . . . 23.35 112.477 179.981 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 2.7 m -66.81 -31.36 71.94 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.868 0.366 . . . . 74.21 110.875 -179.729 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 36.9 mm -60.4 -55.06 26.85 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.116 -0.493 . . . . 74.22 111.103 179.958 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 28' ' ' ILE . . . . . 0.722 HG23 ' OG1' ' A' ' 35' ' ' THR . 46.3 mm -60.47 -38.42 77.93 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.204 -0.453 . . . . 50.35 111.111 179.892 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 22.7 t -55.56 -31.31 62.05 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.166 -0.47 . . . . 71.41 110.829 -179.882 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 30' ' ' ILE . . . . . . . . . . . . . 44.4 mt -77.15 -49.02 23.72 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.346 0 CA-C-N 116.155 -0.475 . . . . 74.31 111.122 179.966 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 31' ' ' LEU . . . . . 0.761 ' HG ' HG21 ' A' ' 35' ' ' THR . 4.1 mm? -51.95 -39.03 58.6 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.187 -0.461 . . . . 73.42 110.96 179.86 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . 53.49 57.97 13.75 Favored Glycine 0 N--CA 1.451 -0.3 0 C-N-CA 120.768 -0.729 . . . . 72.45 112.48 179.888 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -168.45 -165.87 26.57 Favored Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.76 -0.733 . . . . 74.11 112.512 -179.9 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 34' ' ' VAL . . . . . . . . . . . . . 15.5 t -77.55 59.35 0.12 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-O 120.95 0.405 . . . . 74.44 111.145 -179.961 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 35' ' ' THR . . . . . 0.761 HG21 ' HG ' ' A' ' 31' ' ' LEU . 0.7 OUTLIER -87.01 7.18 28.76 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.132 -0.486 . . . . 61.05 111.113 -179.945 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 36' ' ' VAL . . . . . 0.451 HG13 ' O ' ' A' ' 36' ' ' VAL . 2.6 p -54.95 100.75 0.05 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.256 -0.429 . . . . 71.52 111.152 179.893 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 137.84 -31.54 2.46 Favored Glycine 0 N--CA 1.451 -0.361 0 C-N-CA 120.767 -0.73 . . . . 72.33 112.529 179.99 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 38' ' ' LEU . . . . . 0.601 ' O ' HD12 ' A' ' 38' ' ' LEU . 2.9 tp -66.65 -39.9 88.43 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.799 0.333 . . . . 74.55 110.938 -179.972 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 93.4 p -58.93 -25.55 63.58 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.165 -0.471 . . . . 61.01 110.887 -179.969 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . -61.4 -39.0 96.67 Favored Glycine 0 N--CA 1.451 -0.336 0 C-N-CA 120.734 -0.746 . . . . 72.24 112.466 -179.962 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 41' ' ' VAL . . . . . 0.679 ' O ' HG23 ' A' ' 45' ' ' VAL . 32.2 m -93.54 -24.86 5.0 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-O 120.868 0.366 . . . . 64.41 111.147 -179.965 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 42' ' ' PHE . . . . . . . . . . . . . 3.6 t80 -56.37 -51.32 68.73 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.172 -0.467 . . . . 74.54 110.888 -179.985 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 4.3 t -54.09 -41.1 67.87 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.163 -0.471 . . . . 64.12 111.159 -179.914 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -66.39 -33.59 76.05 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.171 -0.468 . . . . 53.2 111.126 179.81 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 45' ' ' VAL . . . . . 0.679 HG23 ' O ' ' A' ' 41' ' ' VAL . 62.6 t -63.56 -45.89 96.45 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.217 -0.447 . . . . 63.15 111.124 -179.987 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 30.3 tttm -51.91 -41.42 61.96 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.186 -0.461 . . . . 74.31 110.898 179.924 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -63.45 -35.36 80.17 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.209 -0.45 . . . . 73.3 111.107 179.807 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -61.1 -36.4 79.6 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.228 -0.442 . . . . 73.5 111.105 179.933 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 49' ' ' ILE . . . . . . . . . . . . . 75.7 mt -56.48 -56.05 15.88 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.241 -0.436 . . . . 52.31 111.14 179.967 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -65.57 -24.1 67.01 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.189 -0.46 . . . . 71.24 111.111 179.82 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 38.3 tttt -76.94 -34.92 57.61 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.189 -0.459 . . . . 72.33 110.911 179.976 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 52' ' ' GLN . . . . . . . . . . . . . 22.6 mm100 -136.81 -73.43 0.43 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.19 -0.459 . . . . 75.32 110.949 179.951 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . 178.47 154.18 12.35 Favored Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.764 -0.732 . . . . 55.12 112.483 -179.982 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 54' ' ' ILE . . . . . 0.411 ' O ' ' HB3' ' A' ' 57' ' ' ALA . 35.3 pt -51.42 -30.28 10.47 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-O 120.934 0.397 . . . . 71.31 111.134 179.989 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -52.06 -47.24 65.22 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.197 -0.456 . . . . 71.2 110.872 179.899 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 3.8 mttp -66.1 -28.53 68.89 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.223 -0.444 . . . . 73.12 110.945 179.837 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 57' ' ' ALA . . . . . 0.411 ' HB3' ' O ' ' A' ' 54' ' ' ILE . . . -62.96 -34.44 77.51 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.15 -0.477 . . . . 72.43 111.126 179.842 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 58' ' ' ILE . . . . . 0.496 ' O ' HG23 ' A' ' 2' ' ' VAL . 63.4 mt -61.91 -59.86 3.63 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.231 -0.44 . . . . 74.33 111.148 179.933 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 59' ' ' GLN . . . . . . . . . . . . . 3.8 pt20 -55.26 -26.98 43.3 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.131 -0.486 . . . . 75.53 110.943 179.942 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 60' ' ' LEU . . . . . 0.665 HD23 HG22 ' A' ' 45' ' ' VAL . 1.0 OUTLIER . . . . . 0 C--N 1.329 -0.32 0 CA-C-N 116.184 -0.462 . . . . 74.53 110.94 179.999 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 1' ' ' LEU . . . . . 0.478 HD22 HG13 ' A' ' 6' ' ' ILE . 58.7 mt . . . . . 0 C--O 1.232 0.138 0 CA-C-O 120.906 0.384 . . . . 74.5 110.931 . . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 2' ' ' VAL . . . . . 0.596 HG22 ' HA ' ' A' ' 8' ' ' GLN . 97.6 t -63.19 -49.22 84.06 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.21 -0.45 . . . . 74.42 111.111 179.89 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . -64.06 -28.62 69.91 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.197 -0.456 . . . . 65.04 111.103 179.857 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 4' ' ' TYR . . . . . 0.729 ' CZ ' HG11 ' A' ' 41' ' ' VAL . 0.2 OUTLIER -73.92 -51.06 17.31 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.238 -0.437 . . . . 73.43 110.906 -179.871 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . 164.87 -25.22 0.18 Allowed Glycine 0 N--CA 1.451 -0.309 0 C-N-CA 120.737 -0.744 . . . . 71.32 112.481 179.962 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 6' ' ' ILE . . . . . 0.478 HG13 HD22 ' A' ' 1' ' ' LEU . 50.3 mm -56.71 139.4 16.24 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-O 120.761 0.315 . . . . 74.24 111.182 179.999 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 7' ' ' ALA . . . . . 0.471 ' O ' ' HB2' ' A' ' 11' ' ' ALA . . . -51.46 142.93 12.83 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.222 -0.445 . . . . 52.23 111.058 179.831 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 8' ' ' GLN . . . . . 0.596 ' HA ' HG22 ' A' ' 2' ' ' VAL . 5.1 pt20 -68.09 -43.19 79.09 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.198 -0.455 . . . . 73.04 110.891 -179.948 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -69.11 -42.26 77.35 Favored Glycine 0 N--CA 1.451 -0.337 0 C-N-CA 120.715 -0.755 . . . . 51.41 112.484 -179.956 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 25.7 m -76.36 -25.64 54.88 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.798 0.332 . . . . 74.24 111.163 -179.874 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 11' ' ' ALA . . . . . 0.658 ' O ' HG23 ' A' ' 15' ' ' VAL . . . -51.05 -38.74 53.36 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.213 -0.449 . . . . 62.11 111.08 179.846 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 3.8 tt0 -71.85 -33.39 68.39 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.21 -0.45 . . . . 72.2 110.881 -179.934 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 25.3 tttp -69.43 -54.46 14.27 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.167 -0.47 . . . . 72.51 110.874 179.992 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 15.3 m -52.54 -41.23 36.04 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.225 -0.443 . . . . 72.25 111.122 179.878 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 15' ' ' VAL . . . . . 0.658 HG23 ' O ' ' A' ' 11' ' ' ALA . 59.7 t -58.61 -45.11 90.71 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.128 -0.487 . . . . 73.52 111.131 179.946 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 4.2 t -54.01 -33.95 58.56 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.138 -0.483 . . . . 65.15 110.889 -179.87 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 17' ' ' LEU . . . . . 0.722 HD12 HD21 ' A' ' 22' ' ' LEU . 0.2 OUTLIER -71.52 -28.01 63.59 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.085 -0.507 . . . . 54.4 110.978 179.993 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 18' ' ' ILE . . . . . 0.404 HD11 ' CZ ' ' A' ' 42' ' ' PHE . 17.4 mt -65.41 -32.49 58.44 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.138 -0.483 . . . . 71.11 111.144 179.807 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 19.3 t30 -59.01 -21.24 58.72 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.155 -0.475 . . . . 74.32 110.913 179.944 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -64.75 -20.0 66.1 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.185 -0.461 . . . . 74.22 111.098 179.843 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . 90.01 -7.28 81.94 Favored Glycine 0 N--CA 1.452 -0.295 0 C-N-CA 120.736 -0.745 . . . . 44.55 112.481 -179.954 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 22' ' ' LEU . . . . . 0.722 HD21 HD12 ' A' ' 17' ' ' LEU . 4.2 pp -67.45 146.5 53.93 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 120.891 0.377 . . . . 75.11 110.913 -179.943 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 2.3 p -76.61 170.79 15.77 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.168 -0.469 . . . . 70.53 111.163 179.919 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 24' ' ' VAL . . . . . 0.581 HG11 ' OG1' ' A' ' 43' ' ' THR . 26.3 m -51.82 -28.91 10.16 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-N 116.232 -0.44 . . . . 74.44 111.152 179.883 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . -52.81 -39.69 55.9 Favored Glycine 0 N--CA 1.451 -0.349 0 C-N-CA 120.729 -0.748 . . . . 54.34 112.488 -179.981 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 26' ' ' SER . . . . . 0.686 ' HB3' HD13 ' A' ' 22' ' ' LEU . 0.3 OUTLIER -70.55 -32.92 70.54 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.83 0.348 . . . . 75.21 110.857 -179.78 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 33.1 mm -60.6 -46.1 96.2 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.137 -0.483 . . . . 74.54 111.114 179.95 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 28' ' ' ILE . . . . . 0.825 HD13 HG23 ' A' ' 35' ' ' THR . 36.5 mm -60.5 -35.39 62.83 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.198 -0.455 . . . . 62.42 111.063 179.92 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 14.7 m -63.42 -31.1 72.16 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.201 -0.454 . . . . 64.11 110.844 -179.843 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 30' ' ' ILE . . . . . . . . . . . . . 50.0 mm -72.7 -60.49 2.37 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.139 -0.482 . . . . 72.25 111.107 179.971 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 4.4 mm? -58.29 -42.07 85.8 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.173 -0.467 . . . . 72.3 110.909 179.906 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . 119.33 -18.02 10.31 Favored Glycine 0 N--CA 1.451 -0.31 0 C-N-CA 120.716 -0.754 . . . . 72.15 112.488 179.911 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . 136.26 -5.74 3.91 Favored Glycine 0 N--CA 1.451 -0.332 0 C-N-CA 120.705 -0.76 . . . . 45.44 112.48 -179.87 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 34' ' ' VAL . . . . . . . . . . . . . 41.2 t -69.96 -34.87 61.81 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-O 120.92 0.39 . . . . 61.2 111.157 179.997 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 35' ' ' THR . . . . . 0.825 HG23 HD13 ' A' ' 28' ' ' ILE . 8.9 t -87.81 10.08 19.68 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.192 -0.458 . . . . 72.45 111.18 179.999 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 36' ' ' VAL . . . . . 0.549 ' HA ' HD12 ' A' ' 28' ' ' ILE . 12.1 p -53.35 -26.72 13.06 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.226 -0.443 . . . . 71.52 111.1 179.96 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . -89.12 -40.78 6.04 Favored Glycine 0 N--CA 1.451 -0.352 0 C-N-CA 120.768 -0.729 . . . . 54.0 112.482 179.998 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 38' ' ' LEU . . . . . 0.46 ' O ' HG22 ' A' ' 41' ' ' VAL . 4.3 mm? -66.28 -29.14 69.3 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-O 120.833 0.349 . . . . 64.01 110.918 -179.923 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 39' ' ' SER . . . . . 0.731 ' HB3' HD11 ' A' ' 28' ' ' ILE . 4.4 p -54.7 -26.99 37.25 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.166 -0.47 . . . . 74.33 110.822 -179.876 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . -52.05 -31.82 33.78 Favored Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.8 -0.714 . . . . 73.45 112.453 -179.967 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 41' ' ' VAL . . . . . 0.743 ' O ' HG23 ' A' ' 45' ' ' VAL . 26.9 m -105.1 -22.79 4.7 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-O 120.873 0.368 . . . . 73.05 111.13 -179.958 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 42' ' ' PHE . . . . . 0.404 ' CZ ' HD11 ' A' ' 18' ' ' ILE . 12.2 t80 -51.64 -43.13 62.51 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.143 -0.481 . . . . 63.51 110.844 -179.941 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 43' ' ' THR . . . . . 0.581 ' OG1' HG11 ' A' ' 24' ' ' VAL . 0.2 OUTLIER -58.98 -47.58 84.65 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.17 -0.468 . . . . 65.2 111.146 -179.897 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -66.52 -29.46 69.56 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.242 -0.435 . . . . 45.13 111.086 179.846 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 45' ' ' VAL . . . . . 0.743 HG23 ' O ' ' A' ' 41' ' ' VAL . 97.7 t -63.59 -38.59 82.66 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.25 -0.432 . . . . 52.15 111.143 179.988 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 41.9 tttm -51.91 -46.97 64.8 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.186 -0.461 . . . . 74.22 110.938 179.894 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -63.55 -30.91 71.96 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.225 -0.443 . . . . 62.41 111.114 179.835 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 48' ' ' ALA . . . . . 0.45 ' HB3' ' O ' ' A' ' 45' ' ' VAL . . . -57.28 -40.44 77.75 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.165 -0.471 . . . . 50.34 111.079 179.933 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 49' ' ' ILE . . . . . . . . . . . . . 73.6 mt -56.35 -55.67 17.7 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.234 -0.439 . . . . 72.32 111.148 179.963 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -63.86 -24.78 67.88 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.135 -0.484 . . . . 73.22 111.09 179.814 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 3.7 tppt? -77.02 -37.45 54.92 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.223 -0.444 . . . . 74.13 110.879 179.979 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 52' ' ' GLN . . . . . . . . . . . . . 53.4 mt-30 -131.98 -74.35 0.51 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.272 -0.422 . . . . 61.23 110.903 179.996 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . 175.5 153.3 10.16 Favored Glycine 0 N--CA 1.45 -0.373 0 C-N-CA 120.79 -0.719 . . . . 62.21 112.515 -179.967 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 54' ' ' ILE . . . . . . . . . . . . . 16.4 pt -51.83 -35.45 17.97 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-O 120.917 0.389 . . . . 70.55 111.112 -179.947 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 8.9 ptpp? -56.2 -44.85 79.88 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.156 -0.475 . . . . 73.34 110.883 179.866 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 21.2 mmmt -65.7 -38.4 89.13 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.247 -0.433 . . . . 54.02 110.903 179.857 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -56.92 -32.95 66.46 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.207 -0.451 . . . . 63.31 111.133 179.814 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 58' ' ' ILE . . . . . 0.4 ' O ' HG23 ' A' ' 2' ' ' VAL . 78.5 mt -58.8 -58.69 5.68 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.205 -0.452 . . . . 71.33 111.182 179.946 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 59' ' ' GLN . . . . . . . . . . . . . 52.1 mt-30 -51.75 -33.11 33.38 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.107 -0.497 . . . . 75.41 110.891 179.937 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 1.2 mp . . . . . 0 C--N 1.329 -0.322 0 CA-C-N 116.185 -0.462 . . . . 72.2 110.94 -179.992 . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' A' A ' 1' ' ' LEU . . . . . . . . . . . . . 2.1 mp . . . . . 0 C--O 1.231 0.087 0 CA-C-O 120.857 0.361 . . . . 73.54 110.883 . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' A' A ' 2' ' ' VAL . . . . . 0.486 HG23 ' O ' ' A' ' 58' ' ' ILE . 39.1 t -63.16 -49.3 83.79 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.209 -0.451 . . . . 62.43 111.107 179.837 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . -64.36 -30.14 71.19 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.17 -0.468 . . . . 74.23 111.07 179.919 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 4' ' ' TYR . . . . . 0.713 ' CE1' HG21 ' A' ' 41' ' ' VAL . 65.7 t80 -74.08 -49.44 23.99 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.229 -0.441 . . . . 74.14 110.914 -179.843 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . 161.22 -26.85 0.28 Allowed Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 120.781 -0.723 . . . . 74.55 112.542 179.995 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 6' ' ' ILE . . . . . 0.433 HD11 HD22 ' A' ' 38' ' ' LEU . 51.0 mm -58.38 133.84 23.32 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-O 120.837 0.351 . . . . 74.45 111.154 -179.968 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -51.83 137.75 25.42 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.163 -0.471 . . . . 72.43 111.084 179.888 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 8' ' ' GLN . . . . . 0.48 ' HA ' HG22 ' A' ' 2' ' ' VAL . 43.7 tt0 -67.53 -46.44 72.78 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.204 -0.453 . . . . 60.2 110.889 -179.901 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -54.82 -46.11 77.24 Favored Glycine 0 N--CA 1.451 -0.343 0 C-N-CA 120.716 -0.754 . . . . 71.45 112.503 -179.961 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 10' ' ' THR . . . . . 0.709 ' O ' HG23 ' A' ' 14' ' ' VAL . 94.0 m -76.22 -37.86 57.16 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.766 0.317 . . . . 72.13 111.15 -179.891 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 11' ' ' ALA . . . . . 0.722 ' O ' HG23 ' A' ' 15' ' ' VAL . . . -53.33 -34.65 58.34 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.2 -0.455 . . . . 43.14 111.136 179.885 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 3.4 tt0 -55.61 -56.1 24.28 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.165 -0.47 . . . . 62.13 110.845 -179.935 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 1.3 mptm? -66.3 -38.77 88.49 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.176 -0.465 . . . . 60.12 110.86 -179.973 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 14' ' ' VAL . . . . . 0.709 HG23 ' O ' ' A' ' 10' ' ' THR . 94.1 t -53.47 -37.5 30.26 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.221 -0.445 . . . . 61.32 111.155 179.865 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 15' ' ' VAL . . . . . 0.722 HG23 ' O ' ' A' ' 11' ' ' ALA . 57.9 t -55.62 -40.65 60.8 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.205 -0.452 . . . . 74.11 111.11 179.917 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 6.3 t -53.72 -38.02 63.89 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.185 -0.461 . . . . 71.11 110.858 -179.799 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 5.5 mt -71.25 -37.6 71.96 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.115 -0.493 . . . . 61.02 110.906 179.969 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 18' ' ' ILE . . . . . . . . . . . . . 38.7 mt -65.04 -40.62 89.62 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.199 -0.455 . . . . 71.3 111.116 179.88 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 14.9 t-20 -58.23 -25.33 61.54 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.153 -0.476 . . . . 72.51 110.871 179.961 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -64.96 -20.1 66.3 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.182 -0.463 . . . . 34.24 111.094 179.87 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . 87.48 14.46 63.63 Favored Glycine 0 N--CA 1.451 -0.339 0 C-N-CA 120.791 -0.718 . . . . 62.42 112.456 -179.957 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 4.0 mm? -74.94 155.04 37.86 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-O 120.945 0.402 . . . . 50.14 110.871 -179.906 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 17.8 p -84.21 160.69 20.76 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.165 -0.47 . . . . 72.55 111.154 179.947 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 11.3 p -51.44 -29.96 10.11 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.239 -0.437 . . . . 74.35 111.134 179.866 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . -52.95 -49.56 54.57 Favored Glycine 0 N--CA 1.45 -0.372 0 C-N-CA 120.784 -0.722 . . . . 64.32 112.514 179.988 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 26' ' ' SER . . . . . 0.645 ' O ' HD12 ' A' ' 30' ' ' ILE . 1.5 p -70.73 -29.78 66.14 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.839 0.352 . . . . 61.31 110.841 -179.73 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 34.5 mm -60.55 -49.17 85.47 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.137 -0.483 . . . . 60.14 111.124 179.955 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 28' ' ' ILE . . . . . 0.651 HG23 ' OG1' ' A' ' 35' ' ' THR . 79.1 mt -55.37 -33.02 30.48 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.171 -0.468 . . . . 72.04 111.114 179.837 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 6.2 t -59.91 -51.22 70.61 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.17 -0.468 . . . . 65.02 110.861 -179.861 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 30' ' ' ILE . . . . . 0.645 HD12 ' O ' ' A' ' 26' ' ' SER . 3.8 mp -77.59 -24.74 14.6 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.085 -0.507 . . . . 72.5 111.107 179.966 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 31' ' ' LEU . . . . . 0.938 HD21 HD21 ' A' ' 38' ' ' LEU . 6.2 tp -59.9 -27.5 66.78 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.223 -0.444 . . . . 74.14 110.888 179.907 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . 128.09 -38.18 2.14 Favored Glycine 0 N--CA 1.452 -0.292 0 C-N-CA 120.753 -0.737 . . . . 64.32 112.476 179.912 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . 121.98 164.1 12.12 Favored Glycine 0 N--CA 1.451 -0.342 0 C-N-CA 120.76 -0.733 . . . . 54.22 112.503 -179.885 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 34' ' ' VAL . . . . . 0.426 HG12 ' O ' ' A' ' 34' ' ' VAL . 3.2 t 52.11 27.22 0.13 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-O 120.942 0.401 . . . . 70.15 111.112 -179.961 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 35' ' ' THR . . . . . 0.717 HG21 ' HB3' ' A' ' 31' ' ' LEU . 28.5 p -88.64 10.23 21.34 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.22 -0.445 . . . . 75.11 111.132 -179.971 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 36' ' ' VAL . . . . . . . . . . . . . 61.0 t -51.21 102.25 0.03 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.218 -0.446 . . . . 63.33 111.133 179.895 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 162.83 -62.84 0.26 Allowed Glycine 0 N--CA 1.451 -0.339 0 C-N-CA 120.731 -0.747 . . . . 73.4 112.473 179.983 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 38' ' ' LEU . . . . . 0.938 HD21 HD21 ' A' ' 31' ' ' LEU . 1.3 pp -66.72 -13.8 61.77 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.82 0.343 . . . . 74.52 110.939 -179.924 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 74.5 p -51.93 -47.78 64.54 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.165 -0.47 . . . . 74.41 110.82 -179.924 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . -58.3 -20.28 43.33 Favored Glycine 0 N--CA 1.451 -0.342 0 C-N-CA 120.704 -0.76 . . . . 74.42 112.507 -179.946 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 41' ' ' VAL . . . . . 0.713 HG21 ' CE1' ' A' ' 4' ' ' TYR . 90.5 t -94.66 -36.7 7.17 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-O 120.815 0.341 . . . . 61.04 111.129 179.947 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 42' ' ' PHE . . . . . . . . . . . . . 2.2 t80 -53.78 -48.48 69.74 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.216 -0.447 . . . . 64.14 110.881 -179.955 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 1.9 m -54.72 -46.66 74.24 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.118 -0.492 . . . . 55.34 111.164 -179.911 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -61.65 -33.27 73.67 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.202 -0.453 . . . . 74.41 111.099 179.878 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 45' ' ' VAL . . . . . 0.579 HG23 ' O ' ' A' ' 41' ' ' VAL . 61.7 t -69.61 -48.11 67.57 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.221 -0.445 . . . . 71.32 111.156 179.931 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 5.5 mtpm? -52.07 -42.34 63.11 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.158 -0.474 . . . . 74.23 110.864 179.941 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -61.93 -40.02 94.06 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.222 -0.444 . . . . 72.45 111.11 179.859 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -57.16 -30.75 64.73 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.209 -0.451 . . . . 72.53 111.094 179.918 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 49' ' ' ILE . . . . . . . . . . . . . 73.1 mt -56.59 -55.86 17.15 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.219 -0.446 . . . . 74.01 111.124 -179.969 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -64.84 -22.43 66.99 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.183 -0.462 . . . . 71.42 111.105 179.823 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 26.9 mmtm -76.92 -46.03 25.72 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.224 -0.443 . . . . 74.25 110.918 179.915 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 52' ' ' GLN . . . . . . . . . . . . . 4.6 mt-30 -124.08 -68.61 0.85 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.24 -0.437 . . . . 73.21 110.94 179.94 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . 173.5 155.97 12.54 Favored Glycine 0 N--CA 1.45 -0.368 0 C-N-CA 120.723 -0.751 . . . . 71.12 112.509 -179.96 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 54' ' ' ILE . . . . . . . . . . . . . 20.5 pt -51.77 -33.69 15.73 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-O 120.876 0.369 . . . . 75.51 111.102 -179.976 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -55.58 -40.0 71.41 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.238 -0.437 . . . . 61.44 110.873 179.87 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 4.7 mptp? -65.87 -38.32 88.48 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.251 -0.431 . . . . 71.42 110.893 179.908 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -55.75 -35.13 65.86 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.212 -0.449 . . . . 51.34 111.1 179.832 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 58' ' ' ILE . . . . . 0.486 ' O ' HG23 ' A' ' 2' ' ' VAL . 77.3 mt -56.59 -56.12 15.72 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.228 -0.442 . . . . 70.35 111.13 179.97 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 59' ' ' GLN . . . . . . . . . . . . . 35.9 mt-30 -57.65 -27.1 62.54 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.214 -0.448 . . . . 72.41 110.933 179.957 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 C--N 1.328 -0.33 0 CA-C-N 116.165 -0.47 . . . . 71.1 110.92 179.997 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 1' ' ' LEU . . . . . . . . . . . . . 8.1 mp . . . . . 0 C--O 1.231 0.122 0 CA-C-O 120.861 0.362 . . . . 73.44 110.874 . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' A' A ' 2' ' ' VAL . . . . . 0.65 HG22 ' HA ' ' A' ' 8' ' ' GLN . 71.1 t -62.46 -49.84 82.24 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.239 -0.437 . . . . 65.13 111.138 179.846 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . -64.44 -29.71 70.76 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.203 -0.453 . . . . 62.33 111.132 179.859 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 4' ' ' TYR . . . . . 0.634 ' CE2' HD22 ' A' ' 60' ' ' LEU . 1.1 m-85 -74.26 -50.96 16.8 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.162 -0.472 . . . . 71.32 110.921 -179.861 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . 164.06 -27.28 0.21 Allowed Glycine 0 N--CA 1.452 -0.293 0 C-N-CA 120.73 -0.748 . . . . 55.22 112.465 179.968 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 6' ' ' ILE . . . . . 1.031 HD11 HD13 ' A' ' 38' ' ' LEU . 50.6 mm -56.89 138.03 18.15 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-O 120.841 0.353 . . . . 73.4 111.145 -179.959 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 7' ' ' ALA . . . . . 0.467 ' O ' ' HB2' ' A' ' 11' ' ' ALA . . . -51.5 143.25 12.41 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.207 -0.451 . . . . 51.24 111.089 179.831 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 8' ' ' GLN . . . . . 0.65 ' HA ' HG22 ' A' ' 2' ' ' VAL . 24.9 pt20 -67.84 -42.46 81.39 Favored 'General case' 0 C--N 1.33 -0.283 0 CA-C-N 116.252 -0.431 . . . . 73.53 110.895 -179.923 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -68.14 -43.81 79.19 Favored Glycine 0 N--CA 1.452 -0.286 0 C-N-CA 120.732 -0.747 . . . . 71.24 112.492 -179.981 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 63.4 m -75.86 -25.74 56.46 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-O 120.757 0.313 . . . . 62.13 111.091 -179.832 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 11' ' ' ALA . . . . . 0.673 ' O ' HG23 ' A' ' 15' ' ' VAL . . . -51.08 -38.56 52.43 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.223 -0.444 . . . . 65.05 111.121 179.869 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 5.7 tm-20 -71.91 -33.39 68.26 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.269 -0.423 . . . . 75.34 110.919 -179.939 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 8.8 mtpm? -69.36 -54.48 14.31 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.166 -0.47 . . . . 74.43 110.893 179.936 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 14.9 m -52.49 -41.18 35.47 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.258 -0.428 . . . . 73.34 111.093 179.861 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 15' ' ' VAL . . . . . 0.673 HG23 ' O ' ' A' ' 11' ' ' ALA . 55.1 t -57.44 -44.15 84.03 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.212 -0.449 . . . . 64.34 111.137 179.918 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 10.1 t -53.6 -35.03 60.44 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.183 -0.462 . . . . 62.41 110.838 -179.834 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 17' ' ' LEU . . . . . 0.708 ' HG ' HD21 ' A' ' 22' ' ' LEU . 2.7 tp -71.49 -28.79 64.17 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.1 -0.5 . . . . 64.43 110.941 -179.991 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 18' ' ' ILE . . . . . 0.401 HD11 ' CZ ' ' A' ' 42' ' ' PHE . 21.3 mt -65.22 -38.26 82.21 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.158 -0.474 . . . . 75.34 111.167 179.808 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 10.0 t-20 -58.74 -22.18 57.09 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.194 -0.457 . . . . 72.44 110.875 179.93 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -64.88 -20.06 66.23 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.125 -0.488 . . . . 74.24 111.074 179.913 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . 93.75 -6.29 73.67 Favored Glycine 0 N--CA 1.451 -0.34 0 C-N-CA 120.753 -0.737 . . . . 63.32 112.483 -179.95 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 22' ' ' LEU . . . . . 0.708 HD21 ' HG ' ' A' ' 17' ' ' LEU . 3.9 pp -67.65 141.96 56.55 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-O 120.875 0.369 . . . . 74.24 110.915 -179.921 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 30.6 p -76.85 171.46 14.7 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.197 -0.456 . . . . 73.51 111.114 179.976 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 10.5 p -51.41 -30.34 10.51 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.191 -0.459 . . . . 71.13 111.08 179.903 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . -52.98 -38.42 55.38 Favored Glycine 0 N--CA 1.45 -0.368 0 C-N-CA 120.773 -0.727 . . . . 34.55 112.495 -179.975 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 26' ' ' SER . . . . . 0.641 ' HB2' HD13 ' A' ' 22' ' ' LEU . 2.1 m -70.77 -31.87 68.8 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 120.853 0.358 . . . . 71.41 110.849 -179.734 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 40.7 mm -61.42 -47.08 95.07 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.101 -0.5 . . . . 62.42 111.143 179.931 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 28' ' ' ILE . . . . . . . . . . . . . 40.2 mm -59.98 -36.37 66.65 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.156 -0.475 . . . . 64.12 111.147 179.837 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 2.0 t -60.55 -32.81 71.85 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.186 -0.461 . . . . 61.11 110.866 -179.934 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 30' ' ' ILE . . . . . . . . . . . . . 51.9 mm -77.19 -54.94 11.93 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.128 -0.487 . . . . 73.41 111.136 179.965 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 31' ' ' LEU . . . . . 0.809 ' HG ' HG21 ' A' ' 35' ' ' THR . 4.2 mm? -52.38 -41.9 63.52 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.2 -0.455 . . . . 72.41 110.898 179.91 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . 66.26 23.85 71.77 Favored Glycine 0 N--CA 1.45 -0.372 0 C-N-CA 120.759 -0.734 . . . . 71.41 112.546 179.929 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -138.28 -174.74 13.55 Favored Glycine 0 N--CA 1.452 -0.285 0 C-N-CA 120.746 -0.74 . . . . 74.14 112.427 -179.866 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 34' ' ' VAL . . . . . . . . . . . . . 16.1 m -77.35 59.86 0.12 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-O 120.906 0.384 . . . . 53.01 111.147 -179.967 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 35' ' ' THR . . . . . 0.935 HG22 HD21 ' A' ' 38' ' ' LEU . 2.8 p -86.93 7.07 28.95 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.186 -0.461 . . . . 65.41 111.151 -179.973 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 36' ' ' VAL . . . . . . . . . . . . . 33.4 m -58.03 -22.52 19.29 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.237 -0.438 . . . . 60.43 111.115 179.945 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . -81.06 -56.33 3.08 Favored Glycine 0 N--CA 1.451 -0.33 0 C-N-CA 120.707 -0.759 . . . . 33.13 112.512 179.982 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 38' ' ' LEU . . . . . 1.031 HD13 HD11 ' A' ' 6' ' ' ILE . 3.1 pp -66.29 -36.68 83.59 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 120.782 0.325 . . . . 70.2 110.903 -179.948 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 39.2 p -59.83 -21.03 60.35 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.208 -0.451 . . . . 72.0 110.847 -179.881 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . -52.65 -27.28 26.81 Favored Glycine 0 N--CA 1.451 -0.34 0 C-N-CA 120.739 -0.743 . . . . 63.01 112.497 179.966 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 41' ' ' VAL . . . . . 0.697 ' O ' HG23 ' A' ' 45' ' ' VAL . 18.9 m -93.42 -21.59 5.99 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-O 120.808 0.337 . . . . 71.14 111.067 -179.947 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 42' ' ' PHE . . . . . 0.401 ' CZ ' HD11 ' A' ' 18' ' ' ILE . 4.7 t80 -51.9 -39.72 59.53 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.249 -0.432 . . . . 74.44 110.891 -179.944 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -59.19 -51.48 69.83 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.156 -0.475 . . . . 74.32 111.146 -179.945 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -63.86 -29.83 70.98 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.188 -0.46 . . . . 71.15 111.073 179.896 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 45' ' ' VAL . . . . . 0.697 HG23 ' O ' ' A' ' 41' ' ' VAL . 90.1 t -65.13 -36.11 77.0 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.231 -0.441 . . . . 60.21 111.154 179.959 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 46' ' ' LYS . . . . . 0.569 ' HA ' HD12 ' A' ' 49' ' ' ILE . 2.5 ttmp? -55.98 -48.8 75.18 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.154 -0.475 . . . . 70.52 110.933 179.869 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -61.99 -30.06 70.68 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.211 -0.45 . . . . 71.13 111.075 179.835 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 48' ' ' ALA . . . . . 0.425 ' HB3' ' O ' ' A' ' 45' ' ' VAL . . . -58.74 -45.34 89.88 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.226 -0.443 . . . . 74.22 111.147 179.936 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 49' ' ' ILE . . . . . 0.569 HD12 ' HA ' ' A' ' 46' ' ' LYS . 4.1 mt -56.26 -52.84 46.74 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.213 -0.449 . . . . 75.13 111.153 179.964 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -65.08 -25.04 67.63 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.147 -0.478 . . . . 74.32 111.054 179.848 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 31.5 tptt -77.37 -39.82 46.05 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.22 -0.446 . . . . 74.14 110.847 -179.969 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 52' ' ' GLN . . . . . . . . . . . . . 28.2 mm-40 -134.42 -64.5 0.68 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.199 -0.455 . . . . 72.45 110.87 -179.974 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . 165.9 157.61 10.2 Favored Glycine 0 N--CA 1.451 -0.325 0 C-N-CA 120.775 -0.726 . . . . 71.35 112.516 -179.905 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 54' ' ' ILE . . . . . . . . . . . . . 1.7 pp -51.68 -30.56 11.73 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.358 0 CA-C-O 120.941 0.4 . . . . 73.13 111.137 179.988 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 15.2 ptmt -52.58 -46.45 66.92 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.149 -0.478 . . . . 75.53 110.874 179.907 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 32.1 tptt -66.54 -34.79 78.69 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.272 -0.422 . . . . 73.31 110.902 179.883 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -58.08 -33.08 68.68 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.208 -0.451 . . . . 53.23 111.137 179.791 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 58' ' ' ILE . . . . . 0.51 ' O ' HG23 ' A' ' 2' ' ' VAL . 67.8 mt -57.61 -60.04 2.61 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.19 -0.459 . . . . 63.1 111.162 179.949 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 59' ' ' GLN . . . . . . . . . . . . . 60.7 mm-40 -55.45 -31.9 62.32 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.185 -0.461 . . . . 62.22 110.881 179.971 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 60' ' ' LEU . . . . . 0.634 HD22 ' CE2' ' A' ' 4' ' ' TYR . 1.2 mt . . . . . 0 C--N 1.328 -0.339 0 CA-C-N 116.252 -0.431 . . . . 52.21 110.886 179.982 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 1' ' ' LEU . . . . . 0.501 ' HG ' HG11 ' A' ' 45' ' ' VAL . 45.3 mt . . . . . 0 C--O 1.231 0.119 0 CA-C-O 120.864 0.364 . . . . 71.23 110.903 . . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 2' ' ' VAL . . . . . 0.575 HG23 ' O ' ' A' ' 58' ' ' ILE . 90.3 t -59.5 -51.43 72.74 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.238 -0.437 . . . . 73.42 111.115 179.852 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . -65.07 -28.69 69.64 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.181 -0.463 . . . . 64.51 111.063 179.912 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 4' ' ' TYR . . . . . . . . . . . . . 2.7 m-85 -74.1 -50.65 18.56 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.223 -0.444 . . . . 62.04 110.936 -179.868 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . 160.79 49.75 0.02 OUTLIER Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.759 -0.734 . . . . 75.24 112.513 179.973 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 6' ' ' ILE . . . . . 0.572 HD11 HD23 ' A' ' 38' ' ' LEU . 45.9 mm -131.28 144.24 38.26 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-O 120.849 0.357 . . . . 72.34 111.107 -179.975 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 7' ' ' ALA . . . . . 0.731 ' HB3' ' HB ' ' A' ' 10' ' ' THR . . . -51.46 151.2 3.18 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.138 -0.483 . . . . 74.44 111.078 179.86 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 28.9 tt0 -68.0 -57.11 6.7 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.214 -0.448 . . . . 73.23 110.908 -179.914 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -71.0 -37.17 64.4 Favored Glycine 0 N--CA 1.451 -0.325 0 C-N-CA 120.777 -0.725 . . . . 55.3 112.52 179.995 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 10' ' ' THR . . . . . 0.731 ' HB ' ' HB3' ' A' ' 7' ' ' ALA . 3.3 m -70.91 -25.78 62.92 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-O 120.776 0.322 . . . . 73.32 111.157 -179.892 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 11' ' ' ALA . . . . . 0.636 ' O ' HG23 ' A' ' 15' ' ' VAL . . . -51.01 -38.73 53.08 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.209 -0.451 . . . . 60.33 111.093 179.872 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 39.9 mt-10 -71.8 -33.56 68.65 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.227 -0.442 . . . . 71.02 110.861 -179.898 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 32.9 tttt -69.27 -54.5 14.35 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.183 -0.462 . . . . 50.42 110.902 179.935 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 15.4 m -52.76 -41.16 37.89 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.264 0 CA-C-N 116.234 -0.439 . . . . 62.31 111.144 179.911 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 15' ' ' VAL . . . . . 0.636 HG23 ' O ' ' A' ' 11' ' ' ALA . 72.5 t -61.12 -42.81 94.67 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.133 -0.485 . . . . 64.13 111.148 179.893 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 3.2 t -53.48 -34.94 59.88 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.19 -0.459 . . . . 75.1 110.868 -179.879 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 3.0 mm? -71.54 -28.88 64.18 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.12 -0.491 . . . . 72.33 110.894 -179.959 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 18' ' ' ILE . . . . . . . . . . . . . 21.4 mt -65.3 -48.12 84.58 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.217 -0.447 . . . . 70.51 111.128 179.849 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 10.2 t-20 -58.37 -22.79 54.93 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.178 -0.464 . . . . 74.2 110.866 179.937 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -64.87 -20.01 66.2 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.179 -0.464 . . . . 73.13 111.123 179.869 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . 82.82 83.08 0.89 Allowed Glycine 0 N--CA 1.452 -0.271 0 C-N-CA 120.759 -0.734 . . . . 71.14 112.468 -179.987 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 8.9 mt -160.2 162.08 33.72 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.912 0.387 . . . . 64.34 110.875 -179.924 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 1.3 p -77.15 157.11 31.15 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.203 -0.453 . . . . 73.33 111.124 179.958 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 18.8 m -51.4 -30.26 10.38 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.194 -0.457 . . . . 72.12 111.075 179.954 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . -53.05 -41.7 60.37 Favored Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 120.727 -0.749 . . . . 63.1 112.495 179.982 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 24.1 t -63.6 -27.92 69.57 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.835 0.35 . . . . 74.33 110.878 -179.775 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 36.7 mm -62.92 -53.5 45.86 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.134 -0.485 . . . . 63.33 111.088 179.965 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 28' ' ' ILE . . . . . 0.659 HG23 ' OG1' ' A' ' 35' ' ' THR . 65.2 mt -60.23 -32.92 51.84 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.164 -0.471 . . . . 62.14 111.158 179.885 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 2.6 m -55.56 -41.68 73.62 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.156 -0.475 . . . . 70.02 110.885 -179.926 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 30' ' ' ILE . . . . . . . . . . . . . 75.6 mt -77.27 -46.12 28.81 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.103 -0.498 . . . . 64.03 111.111 179.963 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 4.1 mm? -54.49 -41.97 70.21 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.179 -0.464 . . . . 75.5 110.909 179.91 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . 57.51 43.75 93.99 Favored Glycine 0 N--CA 1.451 -0.323 0 C-N-CA 120.78 -0.724 . . . . 44.13 112.502 179.93 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -144.14 -173.3 15.45 Favored Glycine 0 N--CA 1.451 -0.34 0 C-N-CA 120.71 -0.757 . . . . 62.1 112.47 -179.94 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 34' ' ' VAL . . . . . . . . . . . . . 15.7 t -77.66 59.39 0.12 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-O 120.943 0.401 . . . . 70.4 111.099 -179.899 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 35' ' ' THR . . . . . 0.659 ' OG1' HG23 ' A' ' 28' ' ' ILE . 0.6 OUTLIER -86.95 7.01 29.3 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.146 -0.479 . . . . 64.32 111.149 -179.968 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 36' ' ' VAL . . . . . . . . . . . . . 54.6 t -57.7 98.79 0.06 OUTLIER 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.189 -0.459 . . . . 71.11 111.12 179.916 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 143.11 -52.06 0.64 Allowed Glycine 0 N--CA 1.452 -0.252 0 C-N-CA 120.732 -0.747 . . . . 71.05 112.457 179.96 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 38' ' ' LEU . . . . . 0.572 HD23 HD11 ' A' ' 6' ' ' ILE . 7.8 mp -58.6 -23.07 57.98 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-O 120.804 0.335 . . . . 75.23 110.899 -179.862 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 39' ' ' SER . . . . . 0.47 ' OG ' HD11 ' A' ' 28' ' ' ILE . 1.7 m -56.1 -25.37 45.39 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.211 -0.45 . . . . 72.33 110.849 -179.942 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . -74.16 -32.29 58.54 Favored Glycine 0 N--CA 1.452 -0.294 0 C-N-CA 120.739 -0.743 . . . . 40.33 112.505 -179.997 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 41' ' ' VAL . . . . . 0.638 ' O ' HG23 ' A' ' 45' ' ' VAL . 35.5 m -93.35 -24.67 5.09 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-O 120.857 0.36 . . . . 63.14 111.086 -179.939 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 42' ' ' PHE . . . . . . . . . . . . . 24.1 t80 -55.56 -56.02 25.2 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.216 -0.447 . . . . 70.43 110.873 -179.991 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 5.4 t -56.49 -39.06 72.63 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.169 -0.468 . . . . 72.55 111.169 -179.915 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -63.6 -36.41 83.72 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.216 -0.447 . . . . 43.01 111.07 179.904 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 45' ' ' VAL . . . . . 0.638 HG23 ' O ' ' A' ' 41' ' ' VAL . 88.7 t -69.64 -35.34 65.45 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.223 -0.444 . . . . 61.14 111.111 179.993 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 1.4 ttmp? -57.75 -51.48 69.39 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.175 -0.466 . . . . 64.03 110.92 179.887 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -57.02 -31.78 65.49 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.252 -0.431 . . . . 74.32 111.105 179.852 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 48' ' ' ALA . . . . . 0.409 ' HB3' ' O ' ' A' ' 45' ' ' VAL . . . -57.82 -30.21 65.54 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.229 -0.442 . . . . 61.13 111.073 179.936 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 49' ' ' ILE . . . . . . . . . . . . . 78.0 mt -56.38 -55.97 16.13 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-N 116.216 -0.447 . . . . 65.23 111.125 -179.988 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -62.74 -24.21 67.58 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.176 -0.465 . . . . 44.13 111.102 179.812 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 22.7 tttm -76.99 -44.68 30.1 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.179 -0.464 . . . . 61.54 110.908 179.987 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 52' ' ' GLN . . . . . . . . . . . . . 28.5 mt-30 -122.35 -74.63 0.61 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.226 -0.443 . . . . 62.04 110.902 179.963 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . 175.79 153.88 10.88 Favored Glycine 0 N--CA 1.451 -0.328 0 C-N-CA 120.715 -0.755 . . . . 73.31 112.47 -179.953 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 54' ' ' ILE . . . . . . . . . . . . . 16.5 pt -51.71 -35.55 17.64 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-O 120.919 0.39 . . . . 73.55 111.147 179.99 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 12.2 ptmm? -53.19 -47.03 69.21 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.15 -0.477 . . . . 70.2 110.881 179.857 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 17.0 mmmt -66.21 -34.31 77.73 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.263 -0.426 . . . . 62.25 110.897 179.869 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -57.47 -33.56 68.11 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.212 -0.449 . . . . 73.35 111.093 179.817 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 58' ' ' ILE . . . . . 0.575 ' O ' HG23 ' A' ' 2' ' ' VAL . 79.9 mt -60.45 -60.05 3.19 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.201 -0.454 . . . . 63.34 111.119 -179.991 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 59' ' ' GLN . . . . . . . . . . . . . 31.1 mt-30 -59.73 -26.99 66.09 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.205 -0.452 . . . . 62.24 110.889 179.947 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 2.7 mt . . . . . 0 C--N 1.328 -0.349 0 CA-C-N 116.224 -0.443 . . . . 74.02 110.958 179.971 . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' A' A ' 1' ' ' LEU . . . . . 0.665 HD12 HG21 ' A' ' 45' ' ' VAL . 7.0 mp . . . . . 0 C--O 1.231 0.119 0 CA-C-O 120.816 0.341 . . . . 74.32 110.925 . . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 2' ' ' VAL . . . . . 0.587 HG22 ' HA ' ' A' ' 8' ' ' GLN . 39.0 t -63.22 -49.51 82.85 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.212 -0.449 . . . . 62.31 111.122 179.84 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . -64.28 -29.22 70.31 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.221 -0.445 . . . . 74.4 111.129 179.85 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 4' ' ' TYR . . . . . 0.61 ' CE2' HD22 ' A' ' 60' ' ' LEU . 0.9 OUTLIER -74.06 -51.09 16.86 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.186 -0.461 . . . . 73.34 110.943 -179.849 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . 161.38 -24.46 0.24 Allowed Glycine 0 N--CA 1.451 -0.34 0 C-N-CA 120.767 -0.73 . . . . 45.15 112.469 179.943 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 6' ' ' ILE . . . . . 0.65 HD13 ' HG ' ' A' ' 1' ' ' LEU . 2.7 mp -63.23 137.08 25.25 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-O 120.859 0.361 . . . . 74.31 111.15 -179.979 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 7' ' ' ALA . . . . . 0.465 ' O ' ' HB2' ' A' ' 11' ' ' ALA . . . -51.21 142.08 13.49 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.215 -0.448 . . . . 65.05 111.135 179.807 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 8' ' ' GLN . . . . . 0.587 ' HA ' HG22 ' A' ' 2' ' ' VAL . 33.0 tt0 -67.6 -48.72 66.01 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.23 -0.441 . . . . 75.31 110.936 -179.97 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -54.55 -48.32 65.81 Favored Glycine 0 N--CA 1.452 -0.298 0 C-N-CA 120.732 -0.747 . . . . 72.43 112.5 -179.988 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 10' ' ' THR . . . . . 0.458 HG22 HG13 ' A' ' 14' ' ' VAL . 69.2 m -76.97 -25.94 53.36 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-O 120.78 0.324 . . . . 72.23 111.13 -179.825 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 11' ' ' ALA . . . . . 0.753 ' O ' HG23 ' A' ' 15' ' ' VAL . . . -51.61 -39.28 57.71 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.174 -0.466 . . . . 45.43 111.078 179.881 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 4.3 tt0 -72.08 -33.25 67.75 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.238 -0.437 . . . . 73.12 110.863 -179.895 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 33.3 mtmt -69.43 -54.2 15.54 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.212 -0.449 . . . . 54.4 110.895 179.975 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 14' ' ' VAL . . . . . 0.458 HG13 HG22 ' A' ' 10' ' ' THR . 17.1 m -52.11 -34.99 18.34 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.237 -0.438 . . . . 65.33 111.113 179.876 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 15' ' ' VAL . . . . . 0.753 HG23 ' O ' ' A' ' 11' ' ' ALA . 54.2 t -55.51 -47.21 78.81 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.206 -0.452 . . . . 64.34 111.136 179.926 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 22.9 t -53.52 -33.44 54.49 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.171 -0.468 . . . . 63.12 110.846 -179.818 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -71.35 -30.41 66.14 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.098 -0.501 . . . . 64.43 110.927 179.958 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 18' ' ' ILE . . . . . . . . . . . . . 22.4 mt -65.42 -50.01 75.11 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.352 0 CA-C-N 116.213 -0.449 . . . . 75.21 111.092 179.891 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 11.4 t-20 -58.91 -21.6 58.03 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.218 -0.447 . . . . 73.23 110.897 179.9 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -64.81 -20.06 66.18 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.167 -0.469 . . . . 64.42 111.114 179.874 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . 91.46 77.71 1.36 Allowed Glycine 0 N--CA 1.451 -0.323 0 C-N-CA 120.757 -0.735 . . . . 64.51 112.54 -179.946 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 22' ' ' LEU . . . . . 0.466 HD22 ' OG ' ' A' ' 26' ' ' SER . 9.1 mt -160.17 144.85 14.66 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.934 0.397 . . . . 72.25 110.895 -179.899 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 69.3 p -76.65 165.47 24.72 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.154 -0.475 . . . . 73.03 111.175 179.947 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 18.6 m -51.48 -30.35 10.77 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.266 -0.425 . . . . 64.33 111.142 179.936 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . -53.22 -36.78 53.38 Favored Glycine 0 N--CA 1.451 -0.339 0 C-N-CA 120.728 -0.748 . . . . 53.21 112.472 -179.992 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 26' ' ' SER . . . . . 0.466 ' OG ' HD22 ' A' ' 22' ' ' LEU . 1.8 m -70.51 -28.03 64.65 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.799 0.333 . . . . 71.21 110.825 -179.735 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 47.6 mm -67.9 -49.34 69.76 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.175 -0.466 . . . . 71.34 111.111 179.948 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 28' ' ' ILE . . . . . 0.611 HD11 ' HB2' ' A' ' 39' ' ' SER . 42.1 mt -51.97 -32.91 15.53 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.177 -0.465 . . . . 72.25 111.136 179.867 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 22.5 m -58.66 -36.71 74.58 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.223 -0.444 . . . . 55.22 110.873 -179.931 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 30' ' ' ILE . . . . . . . . . . . . . 48.7 mt -77.26 -61.04 1.84 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.095 -0.502 . . . . 74.1 111.119 179.967 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 88.1 mt -53.76 -27.97 31.82 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.188 -0.46 . . . . 74.31 110.924 179.911 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . 91.84 13.08 58.44 Favored Glycine 0 N--CA 1.451 -0.305 0 C-N-CA 120.691 -0.766 . . . . 75.41 112.492 179.916 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . 52.17 35.9 43.15 Favored Glycine 0 N--CA 1.451 -0.303 0 C-N-CA 120.754 -0.736 . . . . 54.13 112.495 -179.899 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 34' ' ' VAL . . . . . . . . . . . . . 12.4 p -78.26 -31.08 16.02 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.261 0 CA-C-O 120.925 0.393 . . . . 61.24 111.128 -179.933 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 35' ' ' THR . . . . . 0.404 HG21 HD13 ' A' ' 38' ' ' LEU . 9.7 t -86.79 -36.47 18.53 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.171 -0.468 . . . . 65.31 111.121 -179.974 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 36' ' ' VAL . . . . . . . . . . . . . 21.3 t 51.0 63.43 0.21 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.249 -0.432 . . . . 74.24 111.12 179.916 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . -179.32 -34.98 0.06 OUTLIER Glycine 0 N--CA 1.452 -0.261 0 C-N-CA 120.748 -0.739 . . . . 74.41 112.494 -179.994 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 38' ' ' LEU . . . . . 0.404 HD13 HG21 ' A' ' 35' ' ' THR . 7.4 mp -58.24 -23.26 55.35 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.801 0.334 . . . . 72.14 110.896 -179.884 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 39' ' ' SER . . . . . 0.611 ' HB2' HD11 ' A' ' 28' ' ' ILE . 6.5 t -65.22 -24.52 67.37 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.235 -0.439 . . . . 74.24 110.882 -179.952 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . -79.42 -30.25 46.04 Favored Glycine 0 N--CA 1.451 -0.364 0 C-N-CA 120.794 -0.717 . . . . 63.24 112.494 179.994 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 41' ' ' VAL . . . . . 0.518 ' O ' HG23 ' A' ' 45' ' ' VAL . 18.9 m -93.11 -24.09 5.31 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-O 120.889 0.376 . . . . 72.44 111.133 -179.95 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 42' ' ' PHE . . . . . . . . . . . . . 5.0 t80 -62.87 -44.09 97.05 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.16 -0.473 . . . . 75.41 110.861 -179.912 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -57.55 -40.78 79.62 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.12 -0.491 . . . . 74.11 111.142 -179.884 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -65.37 -37.25 86.46 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.217 -0.447 . . . . 64.33 111.122 179.856 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 45' ' ' VAL . . . . . 0.665 HG21 HD12 ' A' ' 1' ' ' LEU . 92.3 t -65.91 -33.32 62.78 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-N 116.198 -0.456 . . . . 70.02 111.155 179.979 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 41.6 tptt -55.89 -52.91 62.41 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.182 -0.463 . . . . 74.34 110.917 179.878 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -62.93 -30.2 71.37 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.237 -0.438 . . . . 65.33 111.08 179.811 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -63.23 -42.87 99.3 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.24 -0.436 . . . . 72.45 111.087 179.974 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 49' ' ' ILE . . . . . 0.482 HG12 ' HB2' ' A' ' 57' ' ' ALA . 59.1 mt -56.42 -55.93 16.43 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.198 -0.455 . . . . 64.41 111.14 179.963 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -65.01 -21.71 66.89 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.179 -0.464 . . . . 51.34 111.064 179.843 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 1.2 mmmm -76.98 -60.96 2.14 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.224 -0.444 . . . . 75.11 110.893 -179.995 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 52' ' ' GLN . . . . . . . . . . . . . 28.3 mm-40 -105.8 -63.89 1.21 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.251 -0.431 . . . . 71.3 110.892 179.941 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . 168.67 157.94 12.05 Favored Glycine 0 N--CA 1.451 -0.344 0 C-N-CA 120.725 -0.75 . . . . 51.0 112.489 -179.956 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 54' ' ' ILE . . . . . . . . . . . . . 18.3 pt -51.6 -34.68 16.2 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-O 120.897 0.379 . . . . 71.41 111.128 -179.952 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 8.2 ptmt -53.97 -46.33 71.62 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.177 -0.465 . . . . 75.34 110.85 179.871 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -66.32 -32.75 74.34 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.286 -0.415 . . . . 65.5 110.877 179.904 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 57' ' ' ALA . . . . . 0.482 ' HB2' HG12 ' A' ' 49' ' ' ILE . . . -58.25 -33.58 69.52 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.245 -0.434 . . . . 74.12 111.116 179.806 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 58' ' ' ILE . . . . . 0.583 ' O ' HG23 ' A' ' 2' ' ' VAL . 79.3 mt -61.12 -59.48 4.2 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.241 -0.436 . . . . 60.34 111.129 -179.997 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 59' ' ' GLN . . . . . . . . . . . . . 0.3 OUTLIER -51.92 -32.53 33.19 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.148 -0.478 . . . . 54.13 110.886 179.956 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 60' ' ' LEU . . . . . 0.61 HD22 ' CE2' ' A' ' 4' ' ' TYR . 1.1 mt . . . . . 0 C--N 1.328 -0.334 0 CA-C-N 116.236 -0.438 . . . . 71.33 110.926 -180.0 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 1' ' ' LEU . . . . . 0.655 ' CD2' HG11 ' A' ' 45' ' ' VAL . 4.4 mm? . . . . . 0 C--O 1.231 0.124 0 CA-C-O 120.841 0.353 . . . . 74.34 110.953 . . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 2' ' ' VAL . . . . . 0.444 HG23 ' O ' ' A' ' 58' ' ' ILE . 90.9 t -63.02 -49.56 83.04 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.172 -0.467 . . . . 70.11 111.154 179.794 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . -64.1 -31.15 72.23 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.18 -0.464 . . . . 65.35 111.107 179.89 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 4' ' ' TYR . . . . . 0.555 ' CE2' HD22 ' A' ' 60' ' ' LEU . 1.0 OUTLIER -74.1 -49.87 22.03 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.201 -0.454 . . . . 71.22 110.918 -179.837 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 5' ' ' GLY . . . . . 0.501 ' O ' HD13 ' A' ' 6' ' ' ILE . . . 159.15 58.38 0.01 OUTLIER Glycine 0 N--CA 1.451 -0.3 0 C-N-CA 120.733 -0.746 . . . . 72.01 112.449 179.955 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 6' ' ' ILE . . . . . 0.566 HG13 HD12 ' A' ' 1' ' ' LEU . 46.8 mm -140.56 143.8 28.43 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-O 120.831 0.348 . . . . 75.54 111.148 179.982 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 7' ' ' ALA . . . . . 0.766 ' HB3' ' HB ' ' A' ' 10' ' ' THR . . . -54.06 151.53 6.82 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.162 -0.472 . . . . 54.44 111.164 179.784 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 21.9 tt0 -64.25 -56.98 10.86 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.263 -0.426 . . . . 73.11 110.924 -179.923 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -71.06 -27.05 72.71 Favored Glycine 0 N--CA 1.451 -0.352 0 C-N-CA 120.728 -0.749 . . . . 25.34 112.463 -179.957 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 10' ' ' THR . . . . . 0.766 ' HB ' ' HB3' ' A' ' 7' ' ' ALA . 35.0 m -75.25 -47.27 28.88 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.791 0.329 . . . . 55.03 111.133 -179.881 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 11' ' ' ALA . . . . . 0.7 ' O ' HG23 ' A' ' 15' ' ' VAL . . . -51.53 -30.96 22.31 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.201 -0.454 . . . . 63.33 111.097 179.915 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 7.0 tt0 -69.62 -53.38 19.01 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.197 -0.456 . . . . 61.41 110.912 -179.933 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 44.3 tttm -62.92 -41.65 99.53 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.121 -0.49 . . . . 74.52 110.926 179.952 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 14' ' ' VAL . . . . . 0.69 HG23 ' O ' ' A' ' 10' ' ' THR . 99.0 t -53.12 -34.86 22.07 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.266 0 CA-C-N 116.196 -0.456 . . . . 65.11 111.098 179.914 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 15' ' ' VAL . . . . . 0.7 HG23 ' O ' ' A' ' 11' ' ' ALA . 92.2 t -55.43 -40.89 60.16 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.194 -0.457 . . . . 50.42 111.163 179.882 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 5.1 t -61.01 -32.2 71.8 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.16 -0.473 . . . . 44.23 110.856 -179.906 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 1.4 mp -71.32 -31.38 67.33 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.138 -0.483 . . . . 73.51 110.932 -179.954 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 18' ' ' ILE . . . . . . . . . . . . . 29.9 mt -65.22 -48.17 84.57 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.162 -0.472 . . . . 71.01 111.161 179.803 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 18.0 t-20 -57.96 -29.43 65.2 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.176 -0.466 . . . . 60.54 110.889 179.917 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -65.04 -20.06 66.3 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.205 -0.452 . . . . 71.31 111.114 179.905 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . 87.86 18.76 55.68 Favored Glycine 0 N--CA 1.451 -0.361 0 C-N-CA 120.715 -0.755 . . . . 63.22 112.546 -179.942 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 13.4 mt -74.89 154.09 38.35 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 120.894 0.378 . . . . 61.32 110.909 -179.918 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 1.9 p -76.73 139.27 40.39 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.184 -0.462 . . . . 74.12 111.117 179.952 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 24' ' ' VAL . . . . . 0.639 HG12 ' CD1' ' A' ' 42' ' ' PHE . 19.1 m -51.46 -30.53 10.94 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.204 -0.453 . . . . 71.01 111.095 179.906 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . -54.22 -32.68 51.17 Favored Glycine 0 N--CA 1.451 -0.309 0 C-N-CA 120.745 -0.74 . . . . 54.31 112.482 -179.996 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 6.0 p -67.79 -28.14 67.34 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.847 0.356 . . . . 73.14 110.87 -179.731 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 27' ' ' ILE . . . . . 0.705 ' HA ' HD12 ' A' ' 30' ' ' ILE . 43.0 mm -60.3 -41.83 88.48 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.158 -0.474 . . . . 62.54 111.161 179.875 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 28' ' ' ILE . . . . . 0.578 HG23 ' OG1' ' A' ' 35' ' ' THR . 62.0 mt -60.36 -45.72 96.14 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 116.137 -0.483 . . . . 65.24 111.157 179.876 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 15.7 m -57.32 -30.89 65.14 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.149 -0.478 . . . . 62.21 110.895 -179.93 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 30' ' ' ILE . . . . . 0.705 HD12 ' HA ' ' A' ' 27' ' ' ILE . 47.4 mt -70.04 -60.95 1.91 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.081 -0.509 . . . . 74.32 111.084 179.992 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 4.3 mm? -55.21 -42.12 72.89 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.184 -0.462 . . . . 73.41 110.939 179.896 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . 51.75 28.51 23.35 Favored Glycine 0 N--CA 1.451 -0.333 0 C-N-CA 120.762 -0.733 . . . . 31.14 112.474 179.861 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -129.63 61.16 0.66 Allowed Glycine 0 N--CA 1.451 -0.309 0 C-N-CA 120.693 -0.765 . . . . 72.41 112.504 -179.911 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 34' ' ' VAL . . . . . . . . . . . . . 11.7 t 49.55 54.96 0.36 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-O 120.944 0.402 . . . . 73.43 111.142 -179.94 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 35' ' ' THR . . . . . 0.806 HG22 HD12 ' A' ' 38' ' ' LEU . 0.1 OUTLIER -87.04 7.47 27.58 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.177 -0.465 . . . . 54.4 111.104 -179.943 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 36' ' ' VAL . . . . . 0.42 HG23 ' O ' ' A' ' 36' ' ' VAL . 4.8 m -55.04 100.61 0.05 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.261 -0.427 . . . . 73.42 111.171 179.874 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 140.94 -41.47 1.26 Allowed Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 120.774 -0.727 . . . . 74.4 112.503 -179.977 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 38' ' ' LEU . . . . . 0.806 HD12 HG22 ' A' ' 35' ' ' THR . 74.8 mt -65.43 -18.27 65.19 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.866 0.365 . . . . 52.32 110.971 -179.934 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 39' ' ' SER . . . . . 0.414 ' HB3' HD11 ' A' ' 28' ' ' ILE . 13.4 p -69.25 -39.8 78.23 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.139 -0.482 . . . . 55.51 110.853 -179.911 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . -65.17 -22.34 68.92 Favored Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 120.733 -0.746 . . . . 53.5 112.485 -179.937 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 41' ' ' VAL . . . . . 0.593 ' O ' HG23 ' A' ' 45' ' ' VAL . 6.2 p -101.85 -23.35 4.41 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-O 120.844 0.354 . . . . 72.24 111.162 179.972 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 42' ' ' PHE . . . . . 0.639 ' CD1' HG12 ' A' ' 24' ' ' VAL . 11.2 t80 -58.89 -49.3 78.31 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.2 -0.454 . . . . 71.13 110.929 179.98 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 85.2 m -57.94 -44.18 86.78 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.104 -0.498 . . . . 64.12 111.15 -179.977 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -59.5 -36.64 76.46 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.242 -0.436 . . . . 35.14 111.097 179.889 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 45' ' ' VAL . . . . . 0.728 HG13 HD13 ' A' ' 60' ' ' LEU . 72.1 t -70.76 -32.84 50.4 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.237 -0.438 . . . . 72.2 111.107 -179.977 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 2.2 ttpm? -52.04 -52.79 48.6 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.154 -0.475 . . . . 75.44 110.896 179.94 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -63.3 -30.01 71.22 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.231 -0.44 . . . . 73.22 111.114 179.804 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 48' ' ' ALA . . . . . 0.459 ' HB3' ' O ' ' A' ' 45' ' ' VAL . . . -57.29 -28.93 63.46 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.237 -0.438 . . . . 53.3 111.079 179.928 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 49' ' ' ILE . . . . . 0.631 HG12 ' HB2' ' A' ' 57' ' ' ALA . 53.0 mt -56.45 -55.8 17.17 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.26 -0.427 . . . . 72.45 111.142 179.996 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -62.19 -23.93 66.91 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.223 -0.444 . . . . 73.54 111.136 179.771 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -76.97 -49.44 15.47 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.242 -0.436 . . . . 71.32 110.93 179.958 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 52' ' ' GLN . . . . . . . . . . . . . 28.4 mm-40 -108.17 -70.98 0.78 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.208 -0.451 . . . . 64.2 110.939 179.921 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . 169.57 156.45 10.88 Favored Glycine 0 N--CA 1.451 -0.303 0 C-N-CA 120.793 -0.718 . . . . 75.53 112.556 -179.965 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 54' ' ' ILE . . . . . 0.521 ' HA ' HG23 ' A' ' 49' ' ' ILE . 51.3 mt -53.81 -43.35 56.18 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-O 120.929 0.395 . . . . 54.54 111.16 179.971 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 8.8 ptpp? -56.73 -43.55 80.76 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.14 -0.482 . . . . 62.5 110.883 179.901 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -65.22 -29.86 70.7 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.2 -0.454 . . . . 73.25 110.913 179.862 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 57' ' ' ALA . . . . . 0.631 ' HB2' HG12 ' A' ' 49' ' ' ILE . . . -59.71 -41.28 90.44 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.198 -0.455 . . . . 73.21 111.102 179.807 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 58' ' ' ILE . . . . . 0.444 ' O ' HG23 ' A' ' 2' ' ' VAL . 61.3 mt -56.56 -58.0 7.12 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.179 -0.464 . . . . 53.42 111.165 179.992 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 59' ' ' GLN . . . . . . . . . . . . . 10.3 mm100 -53.51 -32.42 50.31 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.168 -0.469 . . . . 74.31 110.923 179.943 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 60' ' ' LEU . . . . . 0.728 HD13 HG13 ' A' ' 45' ' ' VAL . 1.3 mt . . . . . 0 C--N 1.328 -0.36 0 CA-C-N 116.185 -0.461 . . . . 72.51 110.911 179.973 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 1' ' ' LEU . . . . . 0.708 HD12 HG13 ' A' ' 6' ' ' ILE . 4.3 mm? . . . . . 0 C--O 1.231 0.104 0 CA-C-O 120.854 0.359 . . . . 73.35 110.961 . . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 2' ' ' VAL . . . . . 0.691 HG22 ' HA ' ' A' ' 8' ' ' GLN . 66.7 t -60.41 -51.41 73.29 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.18 -0.464 . . . . 62.14 111.111 179.83 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . -64.95 -27.22 68.69 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.209 -0.45 . . . . 73.12 111.108 179.891 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 4' ' ' TYR . . . . . . . . . . . . . 2.3 m-85 -73.92 -50.98 17.58 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.206 -0.452 . . . . 72.21 110.909 -179.831 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . 163.05 -26.18 0.22 Allowed Glycine 0 N--CA 1.452 -0.292 0 C-N-CA 120.708 -0.758 . . . . 61.42 112.486 179.958 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 6' ' ' ILE . . . . . 0.708 HG13 HD12 ' A' ' 1' ' ' LEU . 48.1 mm -61.49 138.94 21.34 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-O 120.779 0.323 . . . . 73.02 111.149 -179.962 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -51.45 143.16 12.38 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.169 -0.469 . . . . 64.3 111.087 179.819 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 8' ' ' GLN . . . . . 0.691 ' HA ' HG22 ' A' ' 2' ' ' VAL . 26.6 tt0 -67.97 -56.94 7.13 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.215 -0.448 . . . . 62.33 110.894 -179.903 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -52.17 -42.31 55.17 Favored Glycine 0 N--CA 1.451 -0.341 0 C-N-CA 120.745 -0.741 . . . . 65.34 112.501 179.984 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 27.4 m -77.03 -25.7 52.87 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-O 120.758 0.313 . . . . 72.43 111.141 -179.847 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 11' ' ' ALA . . . . . 0.655 ' O ' HG23 ' A' ' 15' ' ' VAL . . . -50.79 -39.02 51.62 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.195 -0.457 . . . . 61.54 111.106 179.927 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 3.3 tt0 -71.89 -33.86 68.69 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.227 -0.442 . . . . 75.53 110.874 -179.961 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 34.9 mttm -69.45 -54.45 14.26 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.126 -0.488 . . . . 63.52 110.92 179.963 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 14' ' ' VAL . . . . . 0.406 HG13 ' N ' ' A' ' 15' ' ' VAL . 4.1 p -52.74 -43.07 43.77 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.216 -0.447 . . . . 65.24 111.127 179.892 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 15' ' ' VAL . . . . . 0.655 HG23 ' O ' ' A' ' 11' ' ' ALA . 55.6 t -55.4 -45.76 78.25 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.148 -0.478 . . . . 53.2 111.139 179.915 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 1.3 t -57.04 -32.55 66.31 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.203 -0.453 . . . . 43.13 110.925 -179.911 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 17' ' ' LEU . . . . . 0.485 HD12 HD12 ' A' ' 22' ' ' LEU . 2.4 mm? -71.54 -27.67 63.34 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.116 -0.493 . . . . 70.51 110.932 179.955 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 18' ' ' ILE . . . . . 0.404 HD11 ' CZ ' ' A' ' 42' ' ' PHE . 19.7 mt -63.26 -46.85 94.62 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.227 -0.442 . . . . 64.13 111.136 179.833 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 13.1 t-20 -58.83 -21.91 57.65 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.21 -0.45 . . . . 73.0 110.864 179.926 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 20' ' ' ALA . . . . . 0.433 ' HB3' ' O ' ' A' ' 17' ' ' LEU . . . -64.9 -20.09 66.26 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.212 -0.449 . . . . 62.42 111.105 179.903 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . 102.96 -5.31 50.16 Favored Glycine 0 N--CA 1.451 -0.303 0 C-N-CA 120.712 -0.756 . . . . 42.13 112.495 -179.959 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 22' ' ' LEU . . . . . 0.632 HD22 ' CB ' ' A' ' 26' ' ' SER . 75.3 mt -67.68 126.29 28.91 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-O 120.923 0.392 . . . . 51.13 110.895 -179.909 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 5.8 p -76.75 173.19 11.95 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.142 -0.481 . . . . 71.01 111.135 179.959 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 24' ' ' VAL . . . . . 0.539 HG12 ' HB3' ' A' ' 42' ' ' PHE . 22.1 m -51.4 -30.33 10.46 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.231 -0.44 . . . . 73.43 111.133 179.932 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . -64.36 -43.1 97.32 Favored Glycine 0 N--CA 1.451 -0.328 0 C-N-CA 120.762 -0.732 . . . . 71.03 112.485 179.939 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 26' ' ' SER . . . . . 0.632 ' CB ' HD22 ' A' ' 22' ' ' LEU . 2.4 m -70.7 -32.22 69.37 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.824 0.345 . . . . 72.02 110.871 -179.741 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 42.7 mm -60.55 -54.9 28.76 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-N 116.15 -0.477 . . . . 74.03 111.147 179.896 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 28' ' ' ILE . . . . . . . . . . . . . 50.3 mm -53.63 -34.42 24.14 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.169 -0.469 . . . . 72.15 111.154 179.881 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 34.2 t -62.87 -33.03 74.42 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.119 -0.491 . . . . 62.43 110.881 -179.931 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 30' ' ' ILE . . . . . . . . . . . . . 50.1 mm -70.07 -25.17 27.19 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.156 -0.475 . . . . 75.33 111.132 179.947 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 4.1 tp -82.47 -25.76 33.26 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.192 -0.458 . . . . 74.41 110.89 179.914 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . 127.96 -21.59 5.54 Favored Glycine 0 N--CA 1.451 -0.346 0 C-N-CA 120.805 -0.712 . . . . 70.4 112.514 179.899 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 33' ' ' GLY . . . . . 0.429 ' O ' HG23 ' A' ' 36' ' ' VAL . . . 94.83 -4.65 68.71 Favored Glycine 0 N--CA 1.452 -0.292 0 C-N-CA 120.756 -0.735 . . . . 75.01 112.514 -179.907 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 34' ' ' VAL . . . . . . . . . . . . . 18.0 m -74.0 -8.8 12.19 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-O 120.884 0.373 . . . . 75.24 111.108 -179.997 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 35' ' ' THR . . . . . 0.611 HG21 HD12 ' A' ' 38' ' ' LEU . 0.0 OUTLIER -78.8 -69.82 0.54 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.233 -0.44 . . . . 75.42 111.113 -179.978 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 36' ' ' VAL . . . . . 0.429 HG23 ' O ' ' A' ' 33' ' ' GLY . 30.3 t 53.11 77.26 0.07 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.196 -0.456 . . . . 62.22 111.113 179.925 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 157.78 -39.2 0.54 Allowed Glycine 0 N--CA 1.451 -0.325 0 C-N-CA 120.749 -0.739 . . . . 73.43 112.533 179.975 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 38' ' ' LEU . . . . . 0.611 HD12 HG21 ' A' ' 35' ' ' THR . 0.9 OUTLIER -58.63 -25.34 62.6 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.795 0.331 . . . . 63.42 110.892 -179.933 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -54.81 -30.96 58.53 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.172 -0.467 . . . . 71.03 110.851 -179.892 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . -75.39 -21.78 76.91 Favored Glycine 0 N--CA 1.451 -0.305 0 C-N-CA 120.76 -0.733 . . . . 52.35 112.472 -179.999 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 41' ' ' VAL . . . . . 0.605 ' O ' HG23 ' A' ' 45' ' ' VAL . 98.5 t -93.56 -31.56 4.58 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-O 120.869 0.366 . . . . 75.32 111.152 -179.966 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 42' ' ' PHE . . . . . 0.539 ' HB3' HG12 ' A' ' 24' ' ' VAL . 5.4 t80 -65.04 -48.34 74.18 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.141 -0.482 . . . . 63.51 110.839 -179.963 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 43' ' ' THR . . . . . 0.423 ' HB ' HG11 ' A' ' 24' ' ' VAL . 4.4 t -54.07 -40.92 67.63 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.118 -0.492 . . . . 73.15 111.175 -179.905 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -66.45 -36.64 83.27 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.208 -0.451 . . . . 64.22 111.096 179.867 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 45' ' ' VAL . . . . . 0.679 HG11 HD21 ' A' ' 1' ' ' LEU . 93.6 t -70.9 -36.69 65.13 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.191 -0.459 . . . . 74.24 111.137 179.971 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 11.7 tttp -51.88 -51.13 58.95 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.184 -0.462 . . . . 74.02 110.953 179.874 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -63.03 -30.5 71.65 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.232 -0.44 . . . . 74.11 111.117 179.793 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 48' ' ' ALA . . . . . 0.424 ' HB3' ' O ' ' A' ' 45' ' ' VAL . . . -59.63 -39.56 84.72 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.225 -0.443 . . . . 61.32 111.08 179.923 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 49' ' ' ILE . . . . . 0.546 HG12 ' HB2' ' A' ' 57' ' ' ALA . 73.6 mt -56.0 -56.01 15.17 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.344 0 CA-C-N 116.253 -0.43 . . . . 72.13 111.117 179.985 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -64.6 -20.55 66.32 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.185 -0.461 . . . . 50.45 111.071 179.854 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -76.85 -59.37 2.8 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.259 -0.428 . . . . 75.33 110.882 179.973 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 52' ' ' GLN . . . . . . . . . . . . . 37.8 mm-40 -100.59 -74.96 0.59 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.184 -0.462 . . . . 74.34 110.909 179.985 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . 175.93 153.91 10.96 Favored Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 120.756 -0.735 . . . . 62.04 112.483 -179.976 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 54' ' ' ILE . . . . . . . . . . . . . 15.8 pt -51.64 -36.02 17.96 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-O 120.847 0.356 . . . . 61.23 111.1 -179.981 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 9.1 ptpp? -57.11 -46.05 82.93 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.203 -0.453 . . . . 60.54 110.92 179.871 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 35.1 mmtm -66.35 -33.04 74.82 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.235 -0.439 . . . . 24.44 110.887 179.846 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 57' ' ' ALA . . . . . 0.546 ' HB2' HG12 ' A' ' 49' ' ' ILE . . . -55.45 -41.12 72.45 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.199 -0.455 . . . . 64.31 111.171 179.842 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 58' ' ' ILE . . . . . 0.511 ' O ' HG23 ' A' ' 2' ' ' VAL . 63.6 mt -56.24 -60.02 2.27 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.207 -0.451 . . . . 73.41 111.15 179.953 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 59' ' ' GLN . . . . . . . . . . . . . 47.7 mt-30 -56.5 -27.29 56.83 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.158 -0.474 . . . . 64.02 110.927 179.921 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER . . . . . 0 C--N 1.329 -0.307 0 CA-C-N 116.195 -0.457 . . . . 61.24 110.944 -179.97 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 1' ' ' LEU . . . . . 0.616 HD23 HG21 ' A' ' 45' ' ' VAL . 10.7 mt . . . . . 0 C--O 1.231 0.101 0 CA-C-O 120.84 0.353 . . . . 75.52 110.866 . . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 2' ' ' VAL . . . . . 0.598 HG22 ' HA ' ' A' ' 8' ' ' GLN . 51.3 t -63.05 -48.97 85.37 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.224 -0.443 . . . . 72.45 111.136 179.857 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . -64.01 -29.96 71.07 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.109 -0.496 . . . . 63.33 111.113 179.856 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 4' ' ' TYR . . . . . 0.573 ' CE2' HG13 ' A' ' 41' ' ' VAL . 0.1 OUTLIER -74.13 -49.34 24.23 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.242 -0.435 . . . . 74.55 110.919 -179.852 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . 161.79 -25.45 0.24 Allowed Glycine 0 N--CA 1.451 -0.307 0 C-N-CA 120.71 -0.757 . . . . 61.3 112.477 179.969 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 6' ' ' ILE . . . . . 0.502 HD12 ' HA ' ' A' ' 1' ' ' LEU . 33.6 mt -56.94 136.88 19.55 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-O 120.843 0.354 . . . . 70.22 111.08 -179.906 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -51.61 134.33 29.84 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.138 -0.483 . . . . 61.21 111.079 179.804 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 8' ' ' GLN . . . . . 0.598 ' HA ' HG22 ' A' ' 2' ' ' VAL . 39.4 tt0 -67.83 -55.09 14.28 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.216 -0.447 . . . . 72.22 110.929 -179.957 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -52.19 -42.67 55.92 Favored Glycine 0 N--CA 1.451 -0.35 0 C-N-CA 120.708 -0.758 . . . . 74.14 112.481 -179.944 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 10' ' ' THR . . . . . 0.699 ' O ' HG23 ' A' ' 14' ' ' VAL . 95.7 m -75.71 -40.43 55.73 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 120.777 0.323 . . . . 70.33 111.141 -179.879 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 11' ' ' ALA . . . . . 0.741 ' O ' HG23 ' A' ' 15' ' ' VAL . . . -51.37 -30.97 20.66 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.222 -0.445 . . . . 55.14 111.117 179.841 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 14.2 tt0 -58.4 -57.08 14.48 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.209 -0.45 . . . . 72.1 110.896 -179.943 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 18.6 ptmt -68.42 -33.87 74.99 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.151 -0.477 . . . . 74.53 110.886 179.981 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 14' ' ' VAL . . . . . 0.699 HG23 ' O ' ' A' ' 10' ' ' THR . 91.7 t -57.39 -35.01 47.81 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.26 -0.427 . . . . 72.44 111.103 179.875 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 15' ' ' VAL . . . . . 0.741 HG23 ' O ' ' A' ' 11' ' ' ALA . 97.7 t -55.36 -48.12 77.22 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.137 -0.483 . . . . 72.45 111.119 179.95 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 18.1 t -53.01 -32.96 49.5 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.166 -0.47 . . . . 74.24 110.846 -179.858 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 17' ' ' LEU . . . . . 0.533 HD23 HD13 ' A' ' 30' ' ' ILE . 1.8 mp -71.36 -33.67 69.77 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.196 -0.456 . . . . 75.52 110.901 -179.983 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 18' ' ' ILE . . . . . . . . . . . . . 28.6 mt -65.22 -49.56 78.37 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.361 0 CA-C-N 116.206 -0.452 . . . . 62.22 111.106 179.843 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 3.2 m120 -57.71 -24.48 57.1 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.201 -0.454 . . . . 61.12 110.87 179.933 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -64.95 -20.08 66.28 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.162 -0.472 . . . . 44.12 111.079 179.892 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . 96.82 12.37 50.38 Favored Glycine 0 N--CA 1.451 -0.301 0 C-N-CA 120.716 -0.754 . . . . 74.23 112.442 -179.997 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 4.2 mm? -74.91 140.25 43.65 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-O 120.917 0.389 . . . . 74.04 110.919 -179.925 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 39.9 p -82.73 160.39 22.35 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.202 -0.453 . . . . 52.21 111.152 179.93 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 24' ' ' VAL . . . . . 0.696 HG21 ' HA ' ' A' ' 39' ' ' SER . 11.8 p -51.42 -30.52 10.81 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.196 -0.456 . . . . 74.34 111.132 179.938 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . -53.07 -43.95 62.58 Favored Glycine 0 N--CA 1.451 -0.338 0 C-N-CA 120.744 -0.741 . . . . 63.34 112.471 179.959 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 1.1 t -69.89 -34.83 74.06 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.809 0.338 . . . . 51.24 110.852 -179.702 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 27' ' ' ILE . . . . . 0.835 ' HA ' HD12 ' A' ' 30' ' ' ILE . 35.3 mm -60.38 -39.1 79.96 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.161 -0.472 . . . . 71.35 111.154 179.905 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 28' ' ' ILE . . . . . 0.495 HG23 ' OG1' ' A' ' 35' ' ' THR . 60.3 mt -60.43 -45.5 96.68 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.179 -0.464 . . . . 73.44 111.104 179.877 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 14.3 t -63.43 -31.41 72.56 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.204 -0.453 . . . . 42.12 110.896 -179.912 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 30' ' ' ILE . . . . . 0.835 HD12 ' HA ' ' A' ' 27' ' ' ILE . 28.4 mt -70.02 -61.13 1.81 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.13 -0.486 . . . . 71.44 111.099 179.937 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 31' ' ' LEU . . . . . 0.767 HD12 HG21 ' A' ' 35' ' ' THR . 61.9 mt -60.79 -42.33 97.37 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.181 -0.463 . . . . 74.11 110.935 179.901 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . 51.48 30.97 27.83 Favored Glycine 0 N--CA 1.451 -0.356 0 C-N-CA 120.804 -0.713 . . . . 71.33 112.476 179.943 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -128.15 70.85 0.5 Allowed Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 120.773 -0.727 . . . . 22.54 112.537 -179.966 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 34' ' ' VAL . . . . . . . . . . . . . 8.5 t 49.41 50.97 0.4 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-O 120.935 0.397 . . . . 65.03 111.132 -179.991 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 35' ' ' THR . . . . . 0.767 HG21 HD12 ' A' ' 31' ' ' LEU . 0.0 OUTLIER -87.49 8.65 23.93 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.191 -0.459 . . . . 72.52 111.192 -179.969 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 36' ' ' VAL . . . . . . . . . . . . . 55.3 t -55.83 -24.78 17.54 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.169 -0.468 . . . . 51.33 111.104 179.932 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . -90.75 -21.35 37.02 Favored Glycine 0 N--CA 1.452 -0.243 0 C-N-CA 120.701 -0.762 . . . . 74.34 112.505 179.98 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 38' ' ' LEU . . . . . 0.472 ' HG ' HG22 ' A' ' 35' ' ' THR . 4.3 mm? -66.2 -17.97 65.06 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.805 0.336 . . . . 72.24 110.911 -179.938 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 39' ' ' SER . . . . . 0.696 ' HA ' HG21 ' A' ' 24' ' ' VAL . 82.7 p -52.61 -29.17 24.51 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.18 -0.463 . . . . 63.53 110.831 -179.883 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . -99.0 -12.21 43.68 Favored Glycine 0 N--CA 1.452 -0.291 0 C-N-CA 120.745 -0.741 . . . . 72.33 112.433 -179.956 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 41' ' ' VAL . . . . . 0.573 HG13 ' CE2' ' A' ' 4' ' ' TYR . 93.7 t -93.26 -59.08 3.23 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-O 120.839 0.352 . . . . 43.43 111.105 -179.959 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 42' ' ' PHE . . . . . . . . . . . . . 2.6 t80 -51.87 -31.3 27.39 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.178 -0.465 . . . . 71.21 110.877 -179.967 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -61.7 -53.36 57.12 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.16 -0.473 . . . . 54.13 111.126 -179.914 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -58.94 -34.93 72.3 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.227 -0.442 . . . . 44.11 111.104 179.883 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 45' ' ' VAL . . . . . 0.616 HG21 HD23 ' A' ' 1' ' ' LEU . 87.4 t -64.76 -46.26 92.66 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.232 -0.44 . . . . 73.22 111.108 179.986 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 7.0 mtpm? -54.97 -45.2 74.95 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.177 -0.465 . . . . 74.35 110.916 179.936 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -63.43 -36.47 83.85 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.209 -0.45 . . . . 73.54 111.073 179.861 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -58.39 -32.28 68.46 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.224 -0.444 . . . . 70.41 111.12 179.937 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 49' ' ' ILE . . . . . . . . . . . . . 78.8 mt -56.15 -55.78 16.7 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.194 -0.457 . . . . 40.12 111.173 179.926 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -64.36 -22.73 67.05 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.119 -0.491 . . . . 74.41 111.053 179.851 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER -76.84 -47.97 19.81 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.223 -0.444 . . . . 70.03 110.95 179.936 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 52' ' ' GLN . . . . . . . . . . . . . 23.2 mm-40 -122.13 -67.53 0.95 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.169 -0.469 . . . . 65.13 110.902 179.98 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . 170.71 156.32 11.31 Favored Glycine 0 N--CA 1.451 -0.307 0 C-N-CA 120.748 -0.739 . . . . 72.04 112.466 -179.976 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 54' ' ' ILE . . . . . . . . . . . . . 16.7 pt -51.7 -35.35 17.36 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-O 120.94 0.4 . . . . 73.03 111.165 -179.994 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -56.56 -42.95 79.46 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.163 -0.471 . . . . 72.34 110.873 179.863 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -66.31 -35.36 80.17 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.226 -0.443 . . . . 71.41 110.931 179.846 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -56.33 -33.93 66.08 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.219 -0.446 . . . . 54.4 111.087 179.86 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 58' ' ' ILE . . . . . 0.551 ' O ' HG23 ' A' ' 2' ' ' VAL . 78.7 mt -56.39 -58.34 5.69 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.219 -0.446 . . . . 72.3 111.088 179.987 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 59' ' ' GLN . . . . . . . . . . . . . 67.6 mt-30 -56.1 -29.72 61.02 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.166 -0.47 . . . . 54.13 110.912 179.962 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER . . . . . 0 C--N 1.329 -0.318 0 CA-C-N 116.212 -0.449 . . . . 75.11 110.931 179.981 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 1' ' ' LEU . . . . . 0.632 HD22 HG13 ' A' ' 6' ' ' ILE . 40.6 mt . . . . . 0 C--O 1.231 0.089 0 CA-C-O 120.893 0.378 . . . . 75.32 110.9 . . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 2' ' ' VAL . . . . . 0.565 HG22 ' HA ' ' A' ' 8' ' ' GLN . 48.5 t -62.99 -49.19 84.54 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.252 0 CA-C-N 116.158 -0.474 . . . . 71.13 111.146 179.867 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . -64.16 -29.17 70.3 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.185 -0.462 . . . . 70.22 111.062 179.892 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 4' ' ' TYR . . . . . 0.586 ' OH ' HG11 ' A' ' 41' ' ' VAL . 0.2 OUTLIER -73.97 -50.99 17.43 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.28 -0.418 . . . . 75.21 110.87 -179.809 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . 163.77 -27.11 0.21 Allowed Glycine 0 N--CA 1.451 -0.351 0 C-N-CA 120.777 -0.725 . . . . 75.52 112.525 179.998 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 6' ' ' ILE . . . . . 0.632 HG13 HD22 ' A' ' 1' ' ' LEU . 50.8 mm -56.81 135.69 20.35 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-O 120.818 0.342 . . . . 64.3 111.134 -179.982 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -51.62 135.46 28.5 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.172 -0.467 . . . . 54.44 111.12 179.801 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 8' ' ' GLN . . . . . 0.565 ' HA ' HG22 ' A' ' 2' ' ' VAL . 6.3 pt20 -68.01 -42.78 80.18 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.238 -0.437 . . . . 73.33 110.912 -179.909 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -58.01 -47.65 87.72 Favored Glycine 0 N--CA 1.451 -0.336 0 C-N-CA 120.731 -0.747 . . . . 71.13 112.48 -179.988 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 10' ' ' THR . . . . . 0.712 ' O ' HG23 ' A' ' 14' ' ' VAL . 94.0 m -76.82 -32.93 57.94 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.768 0.318 . . . . 62.01 111.138 -179.878 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 11' ' ' ALA . . . . . 0.753 ' O ' HG23 ' A' ' 15' ' ' VAL . . . -51.66 -48.16 63.53 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.22 -0.445 . . . . 72.31 111.151 179.844 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 18.3 mt-10 -51.97 -48.64 64.25 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.233 -0.44 . . . . 73.22 110.871 -179.961 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 61.1 mttm -68.43 -39.35 81.58 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.197 -0.456 . . . . 75.44 110.889 179.97 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 14' ' ' VAL . . . . . 0.712 HG23 ' O ' ' A' ' 10' ' ' THR . 99.6 t -61.24 -34.98 62.98 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.188 -0.46 . . . . 74.25 111.165 179.847 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 15' ' ' VAL . . . . . 0.753 HG23 ' O ' ' A' ' 11' ' ' ALA . 98.9 t -55.48 -38.78 50.56 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.158 -0.474 . . . . 73.13 111.077 179.948 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 3.9 t -61.13 -33.85 74.05 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.187 -0.46 . . . . 70.44 110.865 -179.836 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 4.4 mp -71.3 -37.95 71.8 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.129 -0.487 . . . . 74.34 110.912 179.987 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 18' ' ' ILE . . . . . . . . . . . . . 34.3 mt -65.03 -50.04 76.65 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.199 -0.455 . . . . 71.2 111.152 179.831 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 57.4 m-80 -58.84 -26.73 64.46 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.128 -0.487 . . . . 55.33 110.848 179.969 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 20' ' ' ALA . . . . . 0.464 ' HB3' HD23 ' A' ' 22' ' ' LEU . . . -64.96 -20.04 66.28 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.168 -0.469 . . . . 22.31 111.112 179.866 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . 94.15 17.75 39.15 Favored Glycine 0 N--CA 1.451 -0.309 0 C-N-CA 120.705 -0.76 . . . . 63.3 112.534 -179.93 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 22' ' ' LEU . . . . . 0.464 HD23 ' HB3' ' A' ' 20' ' ' ALA . 4.1 mm? -74.85 141.17 44.26 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.853 0.358 . . . . 75.13 110.922 -179.919 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 19.1 p -76.81 157.68 31.38 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.218 -0.447 . . . . 71.03 111.135 179.932 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 18.3 m -51.37 -30.26 10.25 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.203 -0.453 . . . . 44.25 111.175 179.866 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . -53.28 -52.18 42.28 Favored Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 120.788 -0.72 . . . . 70.45 112.489 179.939 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 30.0 t -63.82 -26.75 68.76 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.873 0.368 . . . . 70.05 110.911 -179.754 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 27' ' ' ILE . . . . . 0.489 HG22 ' HG ' ' A' ' 31' ' ' LEU . 25.4 mm -67.82 -47.39 79.66 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 116.093 -0.503 . . . . 74.21 111.149 179.916 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 28' ' ' ILE . . . . . 0.592 HD13 HD12 ' A' ' 31' ' ' LEU . 40.2 mm -51.85 -32.99 15.25 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.172 -0.467 . . . . 72.41 111.13 179.827 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 23.1 t -60.35 -50.64 72.8 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.21 -0.45 . . . . 74.0 110.872 -179.921 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 30' ' ' ILE . . . . . . . . . . . . . 39.2 mm -77.27 -25.82 15.35 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.109 -0.496 . . . . 72.32 111.081 179.979 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 31' ' ' LEU . . . . . 0.682 ' HB3' HG21 ' A' ' 35' ' ' THR . 47.3 mt -63.77 -24.42 67.76 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.225 -0.443 . . . . 63.21 110.956 179.893 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . 128.16 -38.14 2.14 Favored Glycine 0 N--CA 1.451 -0.339 0 C-N-CA 120.704 -0.76 . . . . 41.34 112.479 179.887 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . 130.31 146.43 5.95 Favored Glycine 0 N--CA 1.452 -0.292 0 C-N-CA 120.723 -0.751 . . . . 52.41 112.475 -179.921 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 34' ' ' VAL . . . . . 0.419 HG12 ' O ' ' A' ' 34' ' ' VAL . 3.2 t 51.14 28.16 0.14 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-O 120.922 0.391 . . . . 65.31 111.116 -179.962 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 35' ' ' THR . . . . . 0.682 HG21 ' HB3' ' A' ' 31' ' ' LEU . 2.6 p -88.68 10.29 21.23 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.169 -0.469 . . . . 74.34 111.122 -179.957 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 36' ' ' VAL . . . . . . . . . . . . . 14.9 p -51.1 -29.23 7.85 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.195 -0.457 . . . . 63.32 111.126 179.93 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . -56.23 -64.64 4.21 Favored Glycine 0 N--CA 1.451 -0.325 0 C-N-CA 120.742 -0.742 . . . . 55.02 112.5 179.984 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 38' ' ' LEU . . . . . 0.615 ' O ' HG22 ' A' ' 41' ' ' VAL . 1.8 mt -66.48 -28.11 68.32 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.834 0.35 . . . . 63.44 110.901 -179.911 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -60.58 -19.97 59.15 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.156 -0.475 . . . . 64.21 110.863 -179.93 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . -51.96 -27.64 22.27 Favored Glycine 0 N--CA 1.452 -0.275 0 C-N-CA 120.713 -0.756 . . . . 64.55 112.471 -179.97 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 41' ' ' VAL . . . . . 0.728 ' O ' HG23 ' A' ' 45' ' ' VAL . 19.1 m -94.79 -21.99 5.57 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-O 120.823 0.344 . . . . 73.41 111.116 -179.962 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 42' ' ' PHE . . . . . . . . . . . . . 5.3 t80 -51.67 -42.37 62.09 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.15 -0.477 . . . . 74.14 110.892 -179.964 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -62.21 -46.33 89.39 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.149 -0.478 . . . . 73.1 111.153 -179.903 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -66.55 -34.04 77.01 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.196 -0.456 . . . . 51.23 111.061 179.888 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 45' ' ' VAL . . . . . 0.728 HG23 ' O ' ' A' ' 41' ' ' VAL . 98.9 t -63.55 -41.43 92.64 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.236 -0.438 . . . . 75.33 111.1 179.998 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 1.7 tmmm? -54.83 -39.7 68.83 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.181 -0.463 . . . . 74.41 110.915 179.921 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -62.83 -32.81 74.09 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.204 -0.453 . . . . 74.31 111.134 179.8 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -57.24 -36.37 70.86 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.175 -0.466 . . . . 61.41 111.091 179.965 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 49' ' ' ILE . . . . . . . . . . . . . 61.5 mt -56.37 -55.89 16.51 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.231 -0.44 . . . . 75.24 111.149 179.995 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -63.84 -22.44 66.92 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.184 -0.462 . . . . 73.14 111.125 179.79 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 15.1 mmmt -76.92 -61.05 2.11 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.199 -0.455 . . . . 63.24 110.907 179.956 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 52' ' ' GLN . . . . . . . . . . . . . 29.7 mm100 -110.3 -58.55 2.06 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.197 -0.456 . . . . 74.33 110.906 179.951 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . 161.54 159.04 9.79 Favored Glycine 0 N--CA 1.451 -0.342 0 C-N-CA 120.76 -0.733 . . . . 75.34 112.52 -179.97 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 54' ' ' ILE . . . . . . . . . . . . . 23.4 pt -51.6 -30.23 11.02 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-O 120.916 0.389 . . . . 71.54 111.165 -179.973 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 6.2 ptpp? -54.17 -44.63 71.65 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.136 -0.484 . . . . 73.2 110.854 179.846 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 56' ' ' LYS . . . . . 0.445 ' O ' HD23 ' A' ' 60' ' ' LEU . 11.5 mmmt -64.77 -33.21 75.44 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.254 -0.43 . . . . 73.13 110.921 179.9 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -64.53 -32.74 74.5 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.208 -0.451 . . . . 73.25 111.104 179.805 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 58' ' ' ILE . . . . . 0.518 ' O ' HG23 ' A' ' 2' ' ' VAL . 70.5 mt -63.54 -60.67 2.39 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.208 -0.451 . . . . 74.3 111.148 179.974 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 59' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -60.51 -26.43 66.85 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.181 -0.463 . . . . 55.24 110.87 179.986 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 60' ' ' LEU . . . . . 0.445 HD23 ' O ' ' A' ' 56' ' ' LYS . 0.6 OUTLIER . . . . . 0 C--N 1.328 -0.335 0 CA-C-N 116.184 -0.462 . . . . 61.22 110.971 179.992 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 1' ' ' LEU . . . . . 0.683 HD13 HG11 ' A' ' 45' ' ' VAL . 6.3 mp . . . . . 0 C--O 1.231 0.091 0 CA-C-O 120.892 0.377 . . . . 54.12 110.923 . . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 2' ' ' VAL . . . . . 0.577 HG23 ' O ' ' A' ' 58' ' ' ILE . 75.8 t -61.6 -50.7 79.21 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.153 -0.476 . . . . 44.23 111.117 179.864 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . -64.46 -29.4 70.44 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.157 -0.474 . . . . 73.51 111.069 179.94 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 4' ' ' TYR . . . . . 0.735 ' CE2' HG21 ' A' ' 41' ' ' VAL . 62.2 t80 -74.14 -51.06 16.77 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.233 -0.44 . . . . 72.23 110.948 -179.877 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . 164.21 -27.04 0.2 Allowed Glycine 0 N--CA 1.451 -0.355 0 C-N-CA 120.743 -0.741 . . . . 73.01 112.485 179.963 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 6' ' ' ILE . . . . . 0.822 HD11 HD23 ' A' ' 38' ' ' LEU . 50.8 mm -56.95 132.39 21.18 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-O 120.859 0.361 . . . . 63.52 111.114 -179.954 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 7' ' ' ALA . . . . . 0.424 ' O ' ' HB2' ' A' ' 11' ' ' ALA . . . -51.66 145.97 8.45 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.202 -0.454 . . . . 75.31 111.093 179.817 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 10.5 mt-30 -68.01 -56.92 7.17 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.21 -0.45 . . . . 55.43 110.89 -179.911 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -54.72 -41.53 75.13 Favored Glycine 0 N--CA 1.452 -0.291 0 C-N-CA 120.753 -0.737 . . . . 41.33 112.486 -179.957 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 10' ' ' THR . . . . . 0.705 ' O ' HG23 ' A' ' 14' ' ' VAL . 18.0 m -75.39 -32.83 60.91 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-O 120.792 0.33 . . . . 53.55 111.144 -179.84 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 11' ' ' ALA . . . . . 0.732 ' O ' HG23 ' A' ' 15' ' ' VAL . . . -52.22 -51.93 55.39 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.202 -0.453 . . . . 71.34 111.109 179.878 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 20.0 tt0 -52.76 -49.44 65.51 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.244 -0.434 . . . . 63.41 110.862 -179.91 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 14.3 ttmm -62.29 -45.8 91.61 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.142 -0.481 . . . . 54.4 110.948 179.935 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 14' ' ' VAL . . . . . 0.705 HG23 ' O ' ' A' ' 10' ' ' THR . 92.0 t -57.0 -35.63 48.12 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.227 -0.442 . . . . 75.2 111.141 179.858 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 15' ' ' VAL . . . . . 0.732 HG23 ' O ' ' A' ' 11' ' ' ALA . 81.4 t -55.77 -45.45 79.45 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.184 -0.462 . . . . 65.02 111.149 179.851 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 23.2 t -57.08 -35.6 69.58 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.216 -0.447 . . . . 72.4 110.883 -179.855 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 17' ' ' LEU . . . . . 0.435 ' O ' ' HB3' ' A' ' 20' ' ' ALA . 3.2 mp -65.14 -34.97 79.66 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.128 -0.487 . . . . 74.32 110.921 179.956 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 18' ' ' ILE . . . . . . . . . . . . . 17.5 mt -65.76 -50.05 73.38 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.198 -0.455 . . . . 71.04 111.115 179.882 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 3.2 t-20 -59.92 -18.87 48.29 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.153 -0.476 . . . . 64.53 110.888 179.95 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 20' ' ' ALA . . . . . 0.435 ' HB3' ' O ' ' A' ' 17' ' ' LEU . . . -64.19 -20.08 65.77 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.153 -0.476 . . . . 74.13 111.103 179.87 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . 80.17 85.9 0.61 Allowed Glycine 0 N--CA 1.451 -0.31 0 C-N-CA 120.737 -0.744 . . . . 73.12 112.479 -179.937 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 22' ' ' LEU . . . . . 0.684 HD13 ' HB3' ' A' ' 26' ' ' SER . 4.1 pp -162.22 166.77 25.05 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.857 0.361 . . . . 74.22 110.916 -179.925 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER -76.65 144.42 39.47 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.195 -0.457 . . . . 52.01 111.162 179.907 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 24' ' ' VAL . . . . . 0.507 HG22 ' HD2' ' A' ' 42' ' ' PHE . 35.4 t -51.49 -29.92 10.23 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.212 -0.449 . . . . 72.11 111.125 179.915 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . -53.0 -34.2 45.86 Favored Glycine 0 N--CA 1.451 -0.303 0 C-N-CA 120.749 -0.739 . . . . 73.52 112.507 179.985 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 26' ' ' SER . . . . . 0.684 ' HB3' HD13 ' A' ' 22' ' ' LEU . 1.2 t -63.32 -26.91 68.98 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.895 0.379 . . . . 63.01 110.875 -179.742 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 28.9 mm -66.31 -45.52 89.47 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.112 -0.495 . . . . 73.22 111.155 179.951 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 28' ' ' ILE . . . . . 0.648 HG23 ' OG1' ' A' ' 35' ' ' THR . 30.8 mt -60.42 -38.65 78.58 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.164 -0.471 . . . . 75.24 111.132 179.845 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 5.0 t -55.83 -33.58 64.61 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.128 -0.487 . . . . 45.34 110.841 -179.886 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 30' ' ' ILE . . . . . . . . . . . . . 22.0 mt -77.39 -60.99 1.86 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.136 -0.484 . . . . 65.22 111.124 179.969 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 31' ' ' LEU . . . . . 1.038 HD13 HG21 ' A' ' 35' ' ' THR . 3.2 mt -51.87 -42.12 62.4 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.223 -0.444 . . . . 65.21 110.922 179.865 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . 51.99 57.84 11.96 Favored Glycine 0 N--CA 1.451 -0.303 0 C-N-CA 120.714 -0.755 . . . . 74.43 112.474 179.93 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -159.69 54.9 0.35 Allowed Glycine 0 N--CA 1.451 -0.32 0 C-N-CA 120.689 -0.767 . . . . 65.54 112.47 -179.924 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 34' ' ' VAL . . . . . . . . . . . . . 10.1 t 49.52 52.56 0.39 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-O 120.899 0.38 . . . . 74.34 111.136 -179.978 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 35' ' ' THR . . . . . 1.038 HG21 HD13 ' A' ' 31' ' ' LEU . 0.0 OUTLIER -87.53 8.65 24.04 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.186 -0.461 . . . . 60.2 111.141 -179.945 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 36' ' ' VAL . . . . . . . . . . . . . 6.6 m -55.41 -24.98 16.63 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.204 -0.453 . . . . 63.54 111.119 179.923 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . -75.45 -44.64 21.05 Favored Glycine 0 N--CA 1.452 -0.275 0 C-N-CA 120.734 -0.746 . . . . 71.45 112.457 179.995 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 38' ' ' LEU . . . . . 0.822 HD23 HD11 ' A' ' 6' ' ' ILE . 8.6 mp -66.21 -22.08 66.33 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-O 120.783 0.325 . . . . 64.41 110.89 -179.9 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -54.79 -28.76 51.52 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.19 -0.459 . . . . 73.54 110.81 -179.886 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . -78.01 -21.92 69.87 Favored Glycine 0 N--CA 1.451 -0.366 0 C-N-CA 120.765 -0.731 . . . . 73.03 112.495 -179.975 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 41' ' ' VAL . . . . . 0.735 HG21 ' CE2' ' A' ' 4' ' ' TYR . 87.6 t -93.38 -26.04 4.77 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-O 120.822 0.344 . . . . 75.33 111.157 -179.988 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 42' ' ' PHE . . . . . 0.507 ' HD2' HG22 ' A' ' 24' ' ' VAL . 2.9 t80 -58.1 -50.88 71.96 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.174 -0.466 . . . . 75.53 110.851 -179.965 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -57.3 -44.77 84.38 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.141 -0.481 . . . . 72.32 111.172 -179.9 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -58.82 -40.41 84.09 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.163 -0.472 . . . . 31.41 111.093 179.863 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 45' ' ' VAL . . . . . 0.683 HG11 HD13 ' A' ' 1' ' ' LEU . 87.7 t -70.79 -44.05 76.59 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.185 -0.461 . . . . 53.45 111.121 -179.993 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -52.66 -51.58 59.5 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.131 -0.486 . . . . 74.2 110.904 179.906 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -55.67 -37.26 68.05 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.189 -0.46 . . . . 75.4 111.112 179.841 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -57.54 -29.08 64.09 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.181 -0.463 . . . . 72.42 111.092 179.921 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 49' ' ' ILE . . . . . . . . . . . . . 68.6 mt -56.44 -55.0 21.52 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.2 -0.455 . . . . 64.3 111.121 -179.964 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -65.36 -23.65 67.04 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.219 -0.446 . . . . 72.43 111.088 179.814 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER -76.94 -41.01 45.05 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.206 -0.452 . . . . 62.0 110.855 179.992 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 52' ' ' GLN . . . . . . . . . . . . . 22.3 mm100 -123.7 -69.5 0.81 Allowed 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.241 -0.436 . . . . 65.25 110.922 180.0 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . 167.75 156.62 10.19 Favored Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 120.699 -0.762 . . . . 64.41 112.453 -179.969 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 54' ' ' ILE . . . . . . . . . . . . . 17.0 pt -51.7 -35.26 17.25 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-O 120.924 0.392 . . . . 70.42 111.151 179.985 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 21.8 pttm -56.94 -44.93 83.0 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.17 -0.468 . . . . 71.14 110.882 179.847 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 16.7 tppt? -66.41 -33.68 76.25 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.247 -0.433 . . . . 55.3 110.911 179.872 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -55.43 -36.13 66.15 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.221 -0.445 . . . . 70.23 111.141 179.794 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 58' ' ' ILE . . . . . 0.577 ' O ' HG23 ' A' ' 2' ' ' VAL . 74.5 mt -59.95 -53.29 50.55 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.205 -0.452 . . . . 71.24 111.189 179.975 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 59' ' ' GLN . . . . . . . . . . . . . 31.5 mt-30 -55.23 -32.82 62.59 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.149 -0.478 . . . . 73.4 110.96 179.883 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 C--N 1.328 -0.368 0 CA-C-N 116.211 -0.449 . . . . 64.33 110.936 179.983 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 1' ' ' LEU . . . . . 0.573 HD13 HG11 ' A' ' 45' ' ' VAL . 6.9 mp . . . . . 0 C--O 1.231 0.114 0 CA-C-O 120.892 0.377 . . . . 72.04 110.947 . . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 2' ' ' VAL . . . . . 0.592 HG23 ' O ' ' A' ' 58' ' ' ILE . 58.4 t -61.82 -50.94 78.16 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.21 -0.45 . . . . 70.1 111.086 179.892 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . -64.57 -28.99 70.01 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.215 -0.448 . . . . 52.05 111.081 179.871 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 4' ' ' TYR . . . . . 0.415 ' CE2' HD13 ' A' ' 38' ' ' LEU . 62.9 t80 -74.11 -51.07 16.8 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.227 -0.442 . . . . 73.44 110.933 -179.817 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . 164.8 -27.55 0.2 Allowed Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 120.729 -0.748 . . . . 65.51 112.46 179.951 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 6' ' ' ILE . . . . . 0.66 HD11 ' HG ' ' A' ' 38' ' ' LEU . 49.8 mm -56.86 126.67 14.76 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-O 120.84 0.352 . . . . 54.32 111.116 -179.916 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -51.47 132.97 30.16 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.14 -0.482 . . . . 71.51 111.088 179.833 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 15.5 pt20 -63.35 -43.08 98.72 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.239 -0.437 . . . . 63.4 110.874 -179.923 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -54.17 -48.76 62.29 Favored Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 120.731 -0.747 . . . . 51.3 112.521 -179.991 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 10' ' ' THR . . . . . 0.711 ' O ' HG23 ' A' ' 14' ' ' VAL . 95.4 m -77.05 -31.19 56.01 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-O 120.828 0.347 . . . . 72.11 111.14 -179.855 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 11' ' ' ALA . . . . . 0.743 ' O ' HG23 ' A' ' 15' ' ' VAL . . . -51.43 -30.92 21.12 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.211 -0.45 . . . . 51.3 111.073 179.872 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 49.2 mt-10 -58.45 -57.07 14.54 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.222 -0.444 . . . . 60.44 110.917 -179.93 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 9.5 ptmm? -68.39 -33.93 75.13 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.122 -0.49 . . . . 72.41 110.875 179.975 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 14' ' ' VAL . . . . . 0.711 HG23 ' O ' ' A' ' 10' ' ' THR . 89.6 t -56.92 -41.1 75.98 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.222 -0.445 . . . . 75.34 111.115 179.888 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 15' ' ' VAL . . . . . 0.743 HG23 ' O ' ' A' ' 11' ' ' ALA . 94.6 t -56.65 -40.13 67.5 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.25 0 CA-C-N 116.16 -0.473 . . . . 72.14 111.155 179.924 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 32.9 t -60.14 -37.51 80.31 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.185 -0.461 . . . . 75.12 110.852 -179.817 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 17' ' ' LEU . . . . . 0.828 HD23 HD13 ' A' ' 30' ' ' ILE . 4.2 mp -64.84 -38.01 89.55 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.11 -0.495 . . . . 61.14 110.906 -179.997 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 18' ' ' ILE . . . . . . . . . . . . . 31.8 mt -65.21 -50.11 75.48 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.347 0 CA-C-N 116.194 -0.457 . . . . 74.03 111.112 179.831 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 13.6 t-20 -58.79 -26.3 63.95 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.166 -0.47 . . . . 64.33 110.914 179.957 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -65.01 -20.09 66.33 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.171 -0.468 . . . . 61.32 111.075 179.841 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . 94.77 18.57 34.45 Favored Glycine 0 N--CA 1.45 -0.377 0 C-N-CA 120.749 -0.739 . . . . 64.43 112.524 -179.933 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 25.9 mt -70.84 156.7 39.24 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.893 0.377 . . . . 72.53 110.888 -179.896 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 26.7 p -84.34 147.52 27.14 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.196 -0.456 . . . . 65.32 111.111 179.945 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 24' ' ' VAL . . . . . 0.419 HG21 ' O ' ' A' ' 39' ' ' SER . 6.4 p -51.34 -38.48 20.0 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.326 0 CA-C-N 116.204 -0.453 . . . . 64.51 111.136 179.888 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . -65.8 -33.92 87.24 Favored Glycine 0 N--CA 1.452 -0.298 0 C-N-CA 120.713 -0.756 . . . . 41.54 112.484 179.951 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 44.8 t -64.68 -26.89 68.57 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.819 0.342 . . . . 61.43 110.832 -179.722 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 27' ' ' ILE . . . . . 0.813 ' HA ' HD12 ' A' ' 30' ' ' ILE . 42.2 mm -60.18 -46.69 94.26 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.169 -0.469 . . . . 62.13 111.147 179.963 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 28' ' ' ILE . . . . . 0.67 HG23 ' OG1' ' A' ' 35' ' ' THR . 70.7 mt -60.46 -40.61 84.77 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.19 -0.459 . . . . 73.33 111.182 179.844 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 3.0 m -63.5 -32.19 73.57 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.155 -0.475 . . . . 64.21 110.843 -179.943 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 30' ' ' ILE . . . . . 0.828 HD13 HD23 ' A' ' 17' ' ' LEU . 13.2 mt -70.29 -60.98 1.88 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.346 0 CA-C-N 116.159 -0.473 . . . . 73.34 111.155 179.964 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 7.0 mt -60.84 -42.22 97.37 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.172 -0.467 . . . . 72.3 110.967 179.831 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . 51.52 34.34 34.77 Favored Glycine 0 N--CA 1.451 -0.345 0 C-N-CA 120.778 -0.725 . . . . 71.2 112.488 179.904 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -127.83 60.63 0.66 Allowed Glycine 0 N--CA 1.452 -0.292 0 C-N-CA 120.728 -0.749 . . . . 75.22 112.484 -179.902 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 34' ' ' VAL . . . . . . . . . . . . . 12.4 t 49.41 55.98 0.35 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-O 120.876 0.37 . . . . 70.21 111.116 -179.953 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 35' ' ' THR . . . . . 0.67 ' OG1' HG23 ' A' ' 28' ' ' ILE . 0.1 OUTLIER -86.92 7.36 27.7 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.179 -0.464 . . . . 71.45 111.183 179.978 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 36' ' ' VAL . . . . . 0.417 HG23 ' O ' ' A' ' 36' ' ' VAL . 4.7 m -55.1 100.45 0.05 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.205 -0.452 . . . . 74.22 111.121 179.898 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 139.59 -42.75 1.2 Allowed Glycine 0 N--CA 1.451 -0.316 0 C-N-CA 120.774 -0.727 . . . . 54.24 112.506 179.989 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 38' ' ' LEU . . . . . 0.66 ' HG ' HD11 ' A' ' 6' ' ' ILE . 4.5 mm? -66.24 -17.49 64.77 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-O 120.784 0.326 . . . . 72.34 110.893 -179.923 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 39' ' ' SER . . . . . 0.419 ' O ' HG21 ' A' ' 24' ' ' VAL . 3.0 p -69.96 -38.0 75.98 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.177 -0.465 . . . . 44.05 110.825 -179.915 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . -67.5 -19.1 70.52 Favored Glycine 0 N--CA 1.45 -0.372 0 C-N-CA 120.773 -0.727 . . . . 44.2 112.509 -179.95 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 41' ' ' VAL . . . . . . . . . . . . . 6.3 p -105.06 -24.44 4.03 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-O 120.864 0.364 . . . . 73.12 111.12 -179.975 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 42' ' ' PHE . . . . . . . . . . . . . 3.3 t80 -52.42 -51.09 60.98 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.138 -0.483 . . . . 73.22 110.915 -179.987 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -54.08 -43.12 70.05 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.191 -0.459 . . . . 71.14 111.115 -179.952 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -60.36 -43.04 96.9 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.232 -0.44 . . . . 75.34 111.127 179.89 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 45' ' ' VAL . . . . . 0.573 HG11 HD13 ' A' ' 1' ' ' LEU . 75.7 t -70.9 -40.67 76.74 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.243 -0.435 . . . . 60.12 111.097 179.968 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 34.2 tttp -54.06 -53.02 58.89 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.188 -0.46 . . . . 61.14 110.921 179.912 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -60.88 -30.11 69.96 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.188 -0.46 . . . . 54.03 111.106 179.847 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 48' ' ' ALA . . . . . 0.463 ' HB3' ' O ' ' A' ' 45' ' ' VAL . . . -58.1 -28.33 64.52 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.213 -0.449 . . . . 54.05 111.117 179.928 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 49' ' ' ILE . . . . . . . . . . . . . 62.8 mt -56.4 -55.88 16.66 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.363 0 CA-C-N 116.264 -0.425 . . . . 62.44 111.105 179.988 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -65.25 -24.27 67.28 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.122 -0.49 . . . . 63.42 111.089 179.793 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 99.5 mttt -76.88 -35.58 57.32 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.227 -0.442 . . . . 73.31 110.919 179.973 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 52' ' ' GLN . . . . . . . . . . . . . 37.5 mt-30 -130.65 -71.39 0.59 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.237 -0.438 . . . . 71.15 110.911 -179.968 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . 170.76 155.92 10.94 Favored Glycine 0 N--CA 1.451 -0.342 0 C-N-CA 120.7 -0.762 . . . . 63.4 112.467 -179.99 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 54' ' ' ILE . . . . . . . . . . . . . 53.4 mt -53.93 -41.95 51.52 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-O 120.911 0.386 . . . . 71.54 111.111 -179.977 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 8.9 ptpt -52.75 -45.41 67.03 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.164 -0.471 . . . . 63.34 110.915 179.845 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 18.8 mttm -66.19 -34.07 77.21 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.168 -0.469 . . . . 74.24 110.904 179.881 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -55.92 -37.43 68.91 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.24 -0.436 . . . . 51.23 111.077 179.841 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 58' ' ' ILE . . . . . 0.592 ' O ' HG23 ' A' ' 2' ' ' VAL . 67.4 mt -58.43 -50.62 78.09 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.254 -0.43 . . . . 74.54 111.166 179.958 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 59' ' ' GLN . . . . . . . . . . . . . 57.7 mt-30 -56.61 -30.78 63.63 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.207 -0.451 . . . . 75.04 110.912 179.926 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 C--N 1.329 -0.318 0 CA-C-N 116.208 -0.451 . . . . 75.55 110.916 179.997 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 1' ' ' LEU . . . . . 0.454 HD23 HG13 ' A' ' 6' ' ' ILE . 6.4 mt . . . . . 0 C--O 1.231 0.081 0 CA-C-O 120.891 0.377 . . . . 64.2 110.932 . . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 2' ' ' VAL . . . . . 0.439 HG22 ' HA ' ' A' ' 8' ' ' GLN . 82.4 t -63.31 -49.3 83.51 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.266 0 CA-C-N 116.187 -0.46 . . . . 64.32 111.135 179.825 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . -64.23 -29.78 70.86 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.165 -0.471 . . . . 55.13 111.113 179.915 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 4' ' ' TYR . . . . . . . . . . . . . 0.5 OUTLIER -73.86 -48.21 32.78 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.197 -0.456 . . . . 73.2 110.929 -179.893 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . 160.02 -27.65 0.34 Allowed Glycine 0 N--CA 1.452 -0.299 0 C-N-CA 120.694 -0.765 . . . . 74.13 112.459 179.974 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 6' ' ' ILE . . . . . 0.465 HD11 HD13 ' A' ' 38' ' ' LEU . 50.4 mm -57.24 132.51 21.64 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-O 120.874 0.369 . . . . 63.32 111.127 -179.955 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -51.61 139.71 20.09 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.181 -0.463 . . . . 65.13 111.09 179.825 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 8' ' ' GLN . . . . . 0.439 ' HA ' HG22 ' A' ' 2' ' ' VAL . 6.1 pt20 -67.87 -42.63 81.0 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.248 -0.433 . . . . 72.03 110.91 -179.955 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -56.38 -51.06 58.61 Favored Glycine 0 N--CA 1.452 -0.27 0 C-N-CA 120.735 -0.745 . . . . 51.5 112.485 -179.984 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 10' ' ' THR . . . . . 0.699 ' O ' HG23 ' A' ' 14' ' ' VAL . 93.5 m -74.6 -31.68 62.11 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.804 0.335 . . . . 55.41 111.141 -179.841 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 11' ' ' ALA . . . . . 0.757 ' O ' HG23 ' A' ' 15' ' ' VAL . . . -51.76 -47.2 64.22 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.203 -0.453 . . . . 71.31 111.131 179.841 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 34.0 mt-10 -54.37 -49.98 68.57 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.21 -0.45 . . . . 74.53 110.84 -179.88 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 8.6 ttmm -64.9 -43.61 92.27 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.126 -0.488 . . . . 54.14 110.897 179.971 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 14' ' ' VAL . . . . . 0.699 HG23 ' O ' ' A' ' 10' ' ' THR . 91.7 t -56.29 -35.06 41.64 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.226 -0.443 . . . . 73.43 111.117 179.874 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 15' ' ' VAL . . . . . 0.757 HG23 ' O ' ' A' ' 11' ' ' ALA . 95.4 t -55.57 -31.04 27.6 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.171 -0.468 . . . . 74.31 111.132 179.944 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 2.0 t -59.47 -42.09 91.25 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.167 -0.469 . . . . 60.22 110.885 -179.877 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 3.8 mm? -71.29 -39.74 71.32 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.112 -0.494 . . . . 55.23 110.91 -179.993 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 18' ' ' ILE . . . . . . . . . . . . . 35.5 mt -65.07 -48.38 84.1 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.201 -0.454 . . . . 63.0 111.121 179.87 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 57.9 t30 -58.68 -27.91 65.26 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.163 -0.472 . . . . 42.01 110.877 179.929 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -64.98 -20.12 66.33 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.21 -0.45 . . . . 50.51 111.062 179.881 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . 96.01 13.49 49.34 Favored Glycine 0 N--CA 1.45 -0.373 0 C-N-CA 120.743 -0.742 . . . . 25.1 112.498 -179.925 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 22' ' ' LEU . . . . . 0.693 HD12 ' CB ' ' A' ' 26' ' ' SER . 4.0 mm? -74.9 137.5 41.77 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-O 120.843 0.354 . . . . 41.52 110.938 -179.926 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 53.6 p -76.85 167.92 20.99 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.211 -0.45 . . . . 70.32 111.141 179.966 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 24' ' ' VAL . . . . . 0.554 HG21 ' HB2' ' A' ' 39' ' ' SER . 10.7 p -51.35 -30.16 10.07 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.239 -0.437 . . . . 63.13 111.135 179.921 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . -53.82 -52.05 45.14 Favored Glycine 0 N--CA 1.451 -0.337 0 C-N-CA 120.767 -0.73 . . . . 72.3 112.485 179.967 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 26' ' ' SER . . . . . 0.693 ' CB ' HD12 ' A' ' 22' ' ' LEU . 2.1 t -65.58 -26.93 68.08 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.898 0.38 . . . . 73.52 110.87 -179.732 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 27' ' ' ILE . . . . . 0.575 HG22 HD23 ' A' ' 31' ' ' LEU . 26.2 mm -67.39 -50.51 61.59 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.135 -0.484 . . . . 74.25 111.147 179.93 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 28' ' ' ILE . . . . . 0.787 HG23 HG23 ' A' ' 35' ' ' THR . 50.4 mm -53.59 -37.6 31.51 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.174 -0.466 . . . . 71.41 111.126 179.87 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 71.1 m -63.41 -36.54 84.07 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.19 -0.459 . . . . 74.12 110.917 -179.947 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 30' ' ' ILE . . . . . . . . . . . . . 43.7 mm -77.61 -36.6 23.26 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.1 -0.5 . . . . 65.23 111.102 179.97 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 31' ' ' LEU . . . . . 0.575 HD23 HG22 ' A' ' 27' ' ' ILE . 3.8 mm? -51.97 -42.29 62.8 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.165 -0.471 . . . . 62.12 110.902 179.898 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . 51.67 58.04 11.05 Favored Glycine 0 N--CA 1.451 -0.333 0 C-N-CA 120.724 -0.75 . . . . 74.12 112.516 179.906 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -179.39 -159.15 22.94 Favored Glycine 0 N--CA 1.451 -0.352 0 C-N-CA 120.747 -0.739 . . . . 50.35 112.499 -179.88 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 34' ' ' VAL . . . . . . . . . . . . . 12.5 t -78.43 56.25 0.09 OUTLIER 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-O 120.901 0.381 . . . . 55.42 111.134 179.953 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 35' ' ' THR . . . . . 0.787 HG23 HG23 ' A' ' 28' ' ' ILE . 5.0 t -89.0 10.3 22.03 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.187 -0.46 . . . . 74.13 111.133 179.999 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 36' ' ' VAL . . . . . . . . . . . . . 17.3 t -75.91 60.53 0.11 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.243 -0.435 . . . . 74.12 111.12 179.916 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 165.83 -36.74 0.26 Allowed Glycine 0 N--CA 1.452 -0.296 0 C-N-CA 120.733 -0.746 . . . . 63.22 112.526 179.97 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 38' ' ' LEU . . . . . 0.614 ' O ' HG22 ' A' ' 41' ' ' VAL . 0.4 OUTLIER -66.67 -24.83 66.33 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.812 0.339 . . . . 53.13 110.905 -179.914 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 39' ' ' SER . . . . . 0.554 ' HB2' HG21 ' A' ' 24' ' ' VAL . 0.9 OUTLIER -60.21 -20.01 56.83 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.187 -0.46 . . . . 73.0 110.866 -179.944 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . -51.77 -27.81 21.26 Favored Glycine 0 N--CA 1.45 -0.376 0 C-N-CA 120.761 -0.733 . . . . 64.14 112.519 -179.969 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 41' ' ' VAL . . . . . 0.711 ' O ' HG23 ' A' ' 45' ' ' VAL . 18.9 m -94.16 -24.1 5.08 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-O 120.885 0.374 . . . . 73.34 111.161 -179.982 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 42' ' ' PHE . . . . . . . . . . . . . 2.4 t80 -56.27 -51.85 66.64 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.15 -0.477 . . . . 73.3 110.891 -179.995 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 17.2 m -54.0 -43.33 69.95 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.138 -0.483 . . . . 75.44 111.127 -179.929 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -66.62 -34.49 77.99 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.246 -0.434 . . . . 44.52 111.054 179.904 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 45' ' ' VAL . . . . . 0.711 HG23 ' O ' ' A' ' 41' ' ' VAL . 95.7 t -70.77 -52.18 30.42 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.241 -0.436 . . . . 72.4 111.106 -179.988 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 5.7 ptmm? -58.06 -36.08 72.29 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.186 -0.461 . . . . 71.4 110.882 179.953 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -63.45 -40.08 96.17 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.24 -0.436 . . . . 65.12 111.059 179.84 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -60.53 -27.18 67.44 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.202 -0.454 . . . . 30.11 111.087 179.973 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 49' ' ' ILE . . . . . . . . . . . . . 62.4 mt -56.44 -55.98 16.19 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.232 -0.44 . . . . 64.23 111.102 -179.993 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -61.93 -23.6 66.46 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.161 -0.472 . . . . 70.25 111.121 179.827 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 10.6 mtmt -76.98 -60.97 2.14 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.189 -0.46 . . . . 74.54 110.919 179.954 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 52' ' ' GLN . . . . . . . . . . . . . 2.6 mt-30 -104.89 -67.63 0.9 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.209 -0.451 . . . . 74.13 110.934 179.925 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . 169.71 157.35 11.97 Favored Glycine 0 N--CA 1.451 -0.341 0 C-N-CA 120.726 -0.749 . . . . 63.31 112.482 -179.986 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 54' ' ' ILE . . . . . . . . . . . . . 34.7 pt -51.63 -30.08 10.93 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-O 120.973 0.416 . . . . 74.4 111.185 179.986 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 4.4 ptpt -56.33 -42.78 78.24 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.133 -0.485 . . . . 75.15 110.917 179.845 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -66.2 -31.54 72.43 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.191 -0.459 . . . . 72.43 110.927 179.832 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -58.0 -37.15 73.75 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.268 -0.424 . . . . 55.31 111.121 179.796 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 58' ' ' ILE . . . . . 0.401 ' O ' HG23 ' A' ' 2' ' ' VAL . 62.4 mt -56.73 -60.04 2.39 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.151 -0.477 . . . . 72.53 111.162 179.944 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 59' ' ' GLN . . . . . . . . . . . . . 9.8 pt20 -60.23 -27.58 67.32 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.16 -0.473 . . . . 71.43 110.931 179.954 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 60' ' ' LEU . . . . . 0.549 HD13 ' HA ' ' A' ' 45' ' ' VAL . 1.0 OUTLIER . . . . . 0 C--N 1.328 -0.354 0 CA-C-N 116.189 -0.46 . . . . 75.01 110.886 -179.97 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 1' ' ' LEU . . . . . 0.549 ' HG ' HG11 ' A' ' 45' ' ' VAL . 43.0 mt . . . . . 0 C--O 1.231 0.117 0 CA-C-O 120.871 0.367 . . . . 74.24 110.886 . . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 2' ' ' VAL . . . . . 0.496 HG23 ' O ' ' A' ' 58' ' ' ILE . 95.3 t -62.98 -49.89 81.76 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.206 -0.452 . . . . 71.12 111.096 179.86 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . -64.19 -31.83 73.18 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.212 -0.449 . . . . 74.03 111.076 179.899 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 4' ' ' TYR . . . . . 0.634 ' CE2' HD22 ' A' ' 60' ' ' LEU . 1.6 m-85 -74.25 -51.1 16.35 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.255 -0.429 . . . . 72.41 110.943 -179.872 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . 161.37 56.1 0.02 OUTLIER Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.708 -0.758 . . . . 64.24 112.505 179.991 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 6' ' ' ILE . . . . . 0.436 HG13 HD22 ' A' ' 1' ' ' LEU . 40.4 mm -135.61 142.05 40.47 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-O 120.811 0.339 . . . . 71.04 111.126 -179.945 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 7' ' ' ALA . . . . . 0.815 ' HB3' ' HB ' ' A' ' 10' ' ' THR . . . -51.75 150.22 4.16 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.174 -0.467 . . . . 63.33 111.082 179.806 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 32.8 tt0 -68.02 -57.04 6.8 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.223 -0.444 . . . . 72.3 110.94 -179.935 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -68.56 -35.97 82.36 Favored Glycine 0 N--CA 1.451 -0.301 0 C-N-CA 120.726 -0.75 . . . . 72.34 112.495 179.99 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 10' ' ' THR . . . . . 0.815 ' HB ' ' HB3' ' A' ' 7' ' ' ALA . 29.4 m -74.15 -25.6 59.84 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 120.771 0.319 . . . . 70.34 111.148 -179.85 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 11' ' ' ALA . . . . . 0.612 ' O ' HG23 ' A' ' 15' ' ' VAL . . . -50.73 -37.55 42.37 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.176 -0.466 . . . . 74.12 111.133 179.838 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 3.2 tt0 -71.62 -35.24 70.4 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.189 -0.46 . . . . 63.14 110.914 -179.943 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 35.9 mttm -69.27 -54.32 15.29 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.141 -0.481 . . . . 74.42 110.897 179.974 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 14' ' ' VAL . . . . . 0.42 HG13 ' N ' ' A' ' 15' ' ' VAL . 4.0 p -52.51 -44.01 43.65 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.24 -0.436 . . . . 72.21 111.127 179.866 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 15' ' ' VAL . . . . . 0.612 HG23 ' O ' ' A' ' 11' ' ' ALA . 59.1 t -59.57 -46.02 93.47 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.139 -0.482 . . . . 64.2 111.129 179.923 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 15.0 m -54.49 -32.83 58.69 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.185 -0.462 . . . . 75.03 110.864 -179.805 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 17' ' ' LEU . . . . . 0.634 HD22 HD22 ' A' ' 22' ' ' LEU . 1.3 mt -71.58 -27.69 63.31 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.133 -0.485 . . . . 63.4 110.918 179.997 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 18' ' ' ILE . . . . . . . . . . . . . 16.0 mt -65.23 -49.36 79.43 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.165 -0.471 . . . . 75.31 111.116 179.858 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 22.5 t30 -58.66 -22.02 55.78 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.163 -0.471 . . . . 71.24 110.916 179.922 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 20' ' ' ALA . . . . . 0.401 ' HB3' ' O ' ' A' ' 17' ' ' LEU . . . -64.86 -20.0 66.18 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.199 -0.455 . . . . 74.43 111.066 179.892 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . 90.37 12.75 60.97 Favored Glycine 0 N--CA 1.451 -0.307 0 C-N-CA 120.722 -0.751 . . . . 62.51 112.508 -179.941 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 22' ' ' LEU . . . . . 0.634 HD22 HD22 ' A' ' 17' ' ' LEU . 6.7 mp -74.94 154.42 38.15 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-O 120.925 0.393 . . . . 74.44 110.923 -179.943 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 1.5 p -77.71 142.33 38.82 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.188 -0.46 . . . . 62.53 111.1 179.973 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 24' ' ' VAL . . . . . 0.468 HG22 ' HD2' ' A' ' 42' ' ' PHE . 42.7 t -51.41 -30.23 10.37 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.192 -0.458 . . . . 64.43 111.128 179.875 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . -57.04 -39.11 89.12 Favored Glycine 0 N--CA 1.452 -0.291 0 C-N-CA 120.746 -0.74 . . . . 54.43 112.452 179.992 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 2.6 t -64.89 -26.88 68.51 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.89 0.376 . . . . 65.34 110.895 -179.76 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 35.3 mm -60.26 -41.82 88.34 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.095 -0.502 . . . . 73.31 111.101 179.996 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 28' ' ' ILE . . . . . . . . . . . . . 63.8 mt -57.08 -42.72 79.99 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.187 -0.46 . . . . 65.34 111.14 179.861 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 70.5 m -56.26 -30.85 62.97 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.145 -0.479 . . . . 72.43 110.866 -179.954 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 30' ' ' ILE . . . . . . . . . . . . . 46.0 mm -69.91 -60.12 2.8 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.152 -0.476 . . . . 73.12 111.147 179.929 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 3.7 mm? -56.98 -41.68 78.81 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.163 -0.471 . . . . 73.42 110.915 179.905 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . 53.91 38.22 59.57 Favored Glycine 0 N--CA 1.451 -0.341 0 C-N-CA 120.755 -0.736 . . . . 41.01 112.496 179.891 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -148.72 69.26 0.34 Allowed Glycine 0 N--CA 1.451 -0.334 0 C-N-CA 120.747 -0.739 . . . . 75.2 112.498 -179.933 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 34' ' ' VAL . . . . . . . . . . . . . 7.7 t 49.55 50.17 0.41 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-O 120.893 0.378 . . . . 74.05 111.126 -179.975 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 35' ' ' THR . . . . . 0.513 HG22 ' HB2' ' A' ' 38' ' ' LEU . 0.1 OUTLIER -86.94 6.82 30.19 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.156 -0.475 . . . . 73.25 111.115 -179.963 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 36' ' ' VAL . . . . . . . . . . . . . 55.0 t -59.94 -22.04 23.22 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.248 -0.433 . . . . 74.34 111.139 179.944 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . -87.92 -31.67 14.47 Favored Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 120.73 -0.748 . . . . 61.14 112.5 179.97 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 38' ' ' LEU . . . . . 0.513 ' HB2' HG22 ' A' ' 35' ' ' THR . 4.4 mm? -66.05 -24.92 66.82 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-O 120.812 0.339 . . . . 74.05 110.914 -179.897 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 1.4 m -52.1 -48.69 64.63 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.172 -0.467 . . . . 74.04 110.851 -179.959 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . -59.2 -19.31 45.57 Favored Glycine 0 N--CA 1.451 -0.333 0 C-N-CA 120.741 -0.742 . . . . 72.1 112.485 -179.996 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 41' ' ' VAL . . . . . . . . . . . . . 89.5 t -94.51 -39.47 10.33 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-O 120.837 0.351 . . . . 73.44 111.15 179.998 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 42' ' ' PHE . . . . . 0.468 ' HD2' HG22 ' A' ' 24' ' ' VAL . 3.2 t80 -51.94 -51.36 57.63 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.144 -0.48 . . . . 71.44 110.903 -179.959 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 4.6 t -54.02 -40.4 66.99 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.104 -0.498 . . . . 73.11 111.163 -179.939 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -64.22 -33.63 76.24 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.25 -0.432 . . . . 62.15 111.06 179.878 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 45' ' ' VAL . . . . . 0.549 HG11 ' HG ' ' A' ' 1' ' ' LEU . 96.2 t -70.87 -49.15 52.37 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.247 -0.433 . . . . 34.42 111.123 179.976 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 46' ' ' LYS . . . . . 0.671 ' HD2' HD12 ' A' ' 49' ' ' ILE . 17.9 tptt -56.81 -46.7 81.45 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.179 -0.464 . . . . 70.31 110.899 179.925 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -60.09 -37.26 79.43 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.194 -0.457 . . . . 63.23 111.091 179.824 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -60.25 -25.27 65.55 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.251 -0.431 . . . . 74.43 111.127 179.928 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 49' ' ' ILE . . . . . 0.671 HD12 ' HD2' ' A' ' 46' ' ' LYS . 62.3 mt -56.36 -55.98 15.99 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.184 -0.462 . . . . 74.14 111.09 179.992 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -61.71 -23.59 66.22 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.181 -0.463 . . . . 70.35 111.133 179.83 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 1.8 mptp? -77.0 -55.01 5.83 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.165 -0.471 . . . . 74.33 110.892 179.984 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 52' ' ' GLN . . . . . . . . . . . . . 12.8 mp0 -111.17 -70.33 0.82 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.251 -0.431 . . . . 65.21 110.953 179.912 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . 171.19 155.94 11.17 Favored Glycine 0 N--CA 1.452 -0.287 0 C-N-CA 120.67 -0.776 . . . . 73.2 112.432 -179.998 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 54' ' ' ILE . . . . . 0.404 ' O ' ' HB3' ' A' ' 57' ' ' ALA . 22.4 pt -51.68 -32.6 14.24 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-O 120.874 0.368 . . . . 62.44 111.125 -179.981 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 15.7 pttm -53.98 -45.45 71.42 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.167 -0.47 . . . . 71.34 110.938 179.805 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 2.4 tttm -66.17 -31.91 73.03 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.239 -0.437 . . . . 64.22 110.902 179.853 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 57' ' ' ALA . . . . . 0.404 ' HB3' ' O ' ' A' ' 54' ' ' ILE . . . -55.46 -40.13 71.22 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.231 -0.441 . . . . 74.13 111.12 179.818 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 58' ' ' ILE . . . . . 0.496 ' O ' HG23 ' A' ' 2' ' ' VAL . 70.5 mt -58.69 -58.85 4.91 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.188 -0.46 . . . . 75.44 111.156 179.994 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 59' ' ' GLN . . . . . . . . . . . . . 64.8 mt-30 -59.97 -28.6 67.8 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.158 -0.473 . . . . 70.32 110.893 179.946 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 60' ' ' LEU . . . . . 0.634 HD22 ' CE2' ' A' ' 4' ' ' TYR . 1.8 mt . . . . . 0 C--N 1.328 -0.329 0 CA-C-N 116.181 -0.463 . . . . 74.14 110.903 -179.948 . . . . . . . . 1 1 . 1 stop_ save_