data_2m02_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 2m02 _Structure_validation_residue.Date_analyzed 2016-10-08 loop_ _Residue_analysis_software.Software_ID _Residue_analysis_software.Software_label _Residue_analysis_software.Method_ID _Residue_analysis_software.Method_label _Residue_analysis_software.Entry_ID _Residue_analysis_software.Structure_validation_oneline_list_ID 1 MolProbity . . ? 1 2 CYRANGE . . ? 1 stop_ loop_ _Residue_analysis.ID _Residue_analysis.PDB_model_num _Residue_analysis.Hydrogen_positions _Residue_analysis.MolProbity_flips _Residue_analysis.Cyrange_core_flag _Residue_analysis.Two_letter_chain_ID _Residue_analysis.PDB_strand_ID _Residue_analysis.PDB_residue_no _Residue_analysis.PDB_ins_code _Residue_analysis.PDB_residue_name _Residue_analysis.Assembly_ID _Residue_analysis.Entity_assembly_ID _Residue_analysis.Entity_ID _Residue_analysis.Comp_ID _Residue_analysis.Comp_index_ID _Residue_analysis.Clash_value _Residue_analysis.Clash_source_PDB_atom_name _Residue_analysis.Clash_destination_PDB_atom_name _Residue_analysis.Clash_destination_PDB_strand_ID _Residue_analysis.Clash_destination_PDB_residue_no _Residue_analysis.Clash_destination_PDB_ins_code _Residue_analysis.Clash_destination_PDB_residue_name _Residue_analysis.Cbeta_deviation_value _Residue_analysis.Rotamer_score _Residue_analysis.Rotamer_name _Residue_analysis.Ramachandran_phi _Residue_analysis.Ramachandran_psi _Residue_analysis.Ramachandran_score _Residue_analysis.Ramachandran_evaluation _Residue_analysis.Ramachandran_type _Residue_analysis.Bond_outlier_count _Residue_analysis.Worst_bond _Residue_analysis.Worst_bond_value _Residue_analysis.Worst_bond_sigma _Residue_analysis.Angle_outlier_count _Residue_analysis.Worst_angle _Residue_analysis.Worst_angle_value _Residue_analysis.Worst_angle_sigma _Residue_analysis.RNA_phosphate_perpendicular_outlier _Residue_analysis.RNA_suitness_score _Residue_analysis.RNA_suite_conformer _Residue_analysis.RNA_suite_triage _Residue_analysis.Max_b_factor _Residue_analysis.Tau_angle _Residue_analysis.Omega_dihedral _Residue_analysis.Disulfide_chi1 _Residue_analysis.Disulfide_chi2 _Residue_analysis.Disulfide_chi3 _Residue_analysis.Disulfide_ss_angle _Residue_analysis.Disulfide_ss _Residue_analysis.Disulfide_ss_angle_prime _Residue_analysis.Disulfide_chi2prime _Residue_analysis.Disulfide_chi1prime _Residue_analysis.Outlier_count_separate_geometry _Residue_analysis.Outlier_count _Residue_analysis.Entry_ID _Residue_analysis.Structure_validation_residue_list_ID . 001 nuclear orig core ' A' A ' 28' ' ' ARG . . . . . 0.431 ' O ' ' OG ' ' A' ' 31' ' ' SER . 84.3 mtp180 . . . . . 0 N--CA 1.464 0.259 0 CA-C-O 121.107 0.479 . . . . 0.0 110.673 . . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 7.5 p -66.41 134.13 30.32 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.382 0 CA-C-N 116.048 -0.524 . . . . 0.0 110.166 -179.97 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . 103.5 -17.77 49.66 Favored Glycine 0 CA--C 1.526 0.724 0 N-CA-C 110.747 -0.941 . . . . 0.0 110.747 -179.748 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 31' ' ' SER . . . . . 0.431 ' OG ' ' O ' ' A' ' 28' ' ' ARG . 26.7 p -72.31 154.32 41.02 Favored 'General case' 0 C--N 1.329 -0.283 0 N-CA-C 110.179 -0.304 . . . . 0.0 110.179 179.895 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 76.0 ttt180 -112.83 123.76 51.05 Favored 'General case' 0 N--CA 1.464 0.271 0 CA-C-O 120.9 0.381 . . . . 0.0 110.483 179.876 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 2.9 m -143.97 167.55 12.21 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 115.954 -0.566 . . . . 0.0 110.264 -179.855 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 84.6 tt0 -108.79 120.5 42.68 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.023 179.041 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 47.0 t -62.74 143.43 15.47 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.181 -179.99 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 19.2 mm -81.33 130.76 35.3 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.441 0 CA-C-N 116.105 -0.498 . . . . 0.0 111.08 -179.302 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 92.82 -38.04 3.26 Favored Glycine 0 CA--C 1.523 0.555 0 N-CA-C 111.122 -0.791 . . . . 0.0 111.122 179.628 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 38' ' ' LYS . . . . . 0.422 ' HG2' ' H ' ' A' ' 39' ' ' GLY . 44.1 tttm -161.83 -136.23 0.03 OUTLIER 'General case' 0 C--N 1.327 -0.381 0 C-N-CA 120.965 -0.294 . . . . 0.0 110.353 179.813 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 39' ' ' GLY . . . . . 0.465 ' O ' ' O ' ' A' ' 40' ' ' HIS . . . 37.77 77.67 0.06 OUTLIER Glycine 0 CA--C 1.523 0.592 0 N-CA-C 111.221 -0.752 . . . . 0.0 111.221 179.852 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 40' ' ' HIS . . . . . 0.568 ' CG ' ' H ' ' A' ' 41' ' ' ARG . 32.2 t-80 -45.59 175.56 0.0 OUTLIER 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 120.888 0.375 . . . . 0.0 110.5 -179.685 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 41' ' ' ARG . . . . . 0.568 ' H ' ' CG ' ' A' ' 40' ' ' HIS . 84.4 mtp180 -46.15 140.5 3.89 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.677 -179.74 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -165.92 168.9 39.95 Favored Glycine 0 CA--C 1.522 0.513 0 N-CA-C 110.69 -0.964 . . . . 0.0 110.69 179.981 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 89.9 m -119.34 131.44 55.71 Favored 'General case' 0 N--CA 1.466 0.331 0 CA-C-O 120.902 0.382 . . . . 0.0 110.623 -179.808 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 95.8 t -65.97 129.92 30.77 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.02 -0.536 . . . . 0.0 109.826 -179.925 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -112.19 -41.77 3.87 Favored 'General case' 0 N--CA 1.465 0.292 0 CA-C-N 116.288 -0.415 . . . . 0.0 110.707 -179.747 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 46' ' ' TYR . . . . . . . . . . . . . 88.4 t80 -136.8 129.78 30.89 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.394 -0.366 . . . . 0.0 110.797 -179.786 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 47' ' ' VAL . . . . . . . . . . . . . 1.6 p -129.64 124.92 60.32 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.234 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.442 179.669 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 160.96 -168.4 36.29 Favored Glycine 0 CA--C 1.519 0.333 0 N-CA-C 110.566 -1.014 . . . . 0.0 110.566 179.48 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -114.3 114.17 25.57 Favored 'General case' 0 N--CA 1.464 0.235 0 CA-C-O 120.872 0.368 . . . . 0.0 110.211 179.575 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 50' ' ' THR . . . . . 0.464 ' O ' ' O ' ' A' ' 53' ' ' ALA . 45.4 p -82.25 146.06 29.68 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.52 -179.956 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 63.4 mt -66.24 -22.0 66.31 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.55 179.962 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 52' ' ' PHE . . . . . . . . . . . . . 68.7 t80 -69.09 -28.67 66.71 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-N 116.136 -0.483 . . . . 0.0 110.723 -179.652 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 53' ' ' ALA . . . . . 0.464 ' O ' ' O ' ' A' ' 50' ' ' THR . . . -137.15 139.26 41.04 Favored 'General case' 0 N--CA 1.465 0.278 0 CA-C-O 120.96 0.409 . . . . 0.0 110.559 179.946 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 54' ' ' THR . . . . . 0.47 ' CG2' ' N ' ' A' ' 55' ' ' GLY . 43.3 m -79.36 161.1 26.42 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.661 -179.745 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 55' ' ' GLY . . . . . 0.47 ' N ' ' CG2' ' A' ' 54' ' ' THR . . . 86.35 -161.2 33.88 Favored Glycine 0 CA--C 1.52 0.374 0 N-CA-C 110.629 -0.988 . . . . 0.0 110.629 179.909 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 64.9 tttp -110.16 135.55 50.77 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-O 120.719 0.295 . . . . 0.0 110.427 179.882 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 57' ' ' TRP . . . . . . . . . . . . . 92.6 m95 -138.08 142.48 40.26 Favored 'General case' 0 C--O 1.234 0.277 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.177 179.998 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 58' ' ' VAL . . . . . . . . . . . . . 55.4 t -124.95 128.97 73.5 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.227 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.514 -179.943 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . -90.86 119.13 5.55 Favored Glycine 0 N--CA 1.459 0.213 0 N-CA-C 109.967 -1.253 . . . . 0.0 109.967 179.381 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 60' ' ' VAL . . . . . . . . . . . . . 39.9 t -119.73 139.13 48.07 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.234 0 CA-C-O 121.103 0.478 . . . . 0.0 110.778 -179.345 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 61' ' ' ILE . . . . . 0.447 ' N ' ' CD1' ' A' ' 61' ' ' ILE . 1.7 mp -99.49 110.08 25.91 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.236 0 N-CA-C 108.943 -0.762 . . . . 0.0 108.943 178.92 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 62' ' ' LEU . . . . . 0.675 ' H ' ' CD2' ' A' ' 62' ' ' LEU . 0.4 OUTLIER -76.11 145.31 40.1 Favored 'General case' 0 C--N 1.322 -0.598 0 CA-C-N 115.62 -0.718 . . . . 0.0 111.244 -179.621 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 58.6 t0 -64.31 -36.49 84.27 Favored 'General case' 0 N--CA 1.449 -0.498 0 CA-C-N 115.729 -0.669 . . . . 0.0 110.303 179.879 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 97.9 mt-10 -91.47 177.59 6.19 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 115.994 -0.548 . . . . 0.0 110.374 179.871 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -79.73 100.24 7.81 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.827 -179.744 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 66' ' ' LYS . . . . . 0.458 ' O ' ' O ' ' A' ' 84' ' ' GLY . 13.7 tptt -103.26 107.29 18.06 Favored 'General case' 0 N--CA 1.466 0.365 0 N-CA-C 109.662 -0.496 . . . . 0.0 109.662 179.972 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . -42.76 103.21 0.04 OUTLIER Glycine 0 C--N 1.315 -0.595 0 C-N-CA 120.449 -0.881 . . . . 0.0 112.114 -179.252 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 29.0 tptp -166.14 134.71 3.01 Favored 'General case' 0 N--CA 1.449 -0.493 0 CA-C-N 115.041 -0.579 . . . . 0.0 110.889 179.185 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 69' ' ' ASN . . . . . . . . . . . . . 58.9 t30 -91.1 119.19 31.04 Favored 'General case' 0 C--O 1.232 0.168 0 CA-C-N 116.298 -0.41 . . . . 0.0 110.4 179.013 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 70' ' ' ASP . . . . . 0.551 ' OD2' ' N ' ' A' ' 81' ' ' CYS . 10.7 t70 -122.01 103.77 9.05 Favored 'General case' 0 N--CA 1.465 0.293 0 CA-C-N 116.408 -0.36 . . . . 0.0 110.549 179.755 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . 175.33 -154.12 17.11 Favored Glycine 0 CA--C 1.523 0.573 0 N-CA-C 110.897 -0.881 . . . . 0.0 110.897 179.887 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 72' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -52.49 111.48 0.65 Allowed 'General case' 0 C--N 1.33 -0.265 0 CA-C-O 120.784 0.326 . . . . 0.0 110.228 -179.978 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 73' ' ' VAL . . . . . . . . . . . . . 13.7 p -121.14 134.3 64.97 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.237 0 CA-C-N 116.294 -0.412 . . . . 0.0 110.539 -179.795 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 74' ' ' GLN . . . . . . . . . . . . . 84.3 mm-40 55.76 19.38 3.4 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 115.974 -0.557 . . . . 0.0 110.804 -179.658 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . 85.38 0.48 88.35 Favored Glycine 0 CA--C 1.523 0.568 0 N-CA-C 111.167 -0.773 . . . . 0.0 111.167 179.753 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 76' ' ' ARG . . . . . . . . . . . . . 93.4 mtm-85 -105.64 123.13 47.41 Favored 'General case' 0 N--CA 1.463 0.203 0 CA-C-O 120.767 0.317 . . . . 0.0 110.274 179.707 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 65.1 tttm -105.29 90.3 3.38 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.253 -0.431 . . . . 0.0 110.131 179.731 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 78' ' ' TYR . . . . . . . . . . . . . 31.2 t80 -107.5 -27.4 10.43 Favored 'General case' 0 N--CA 1.465 0.307 0 CA-C-N 116.309 -0.405 . . . . 0.0 110.413 -179.905 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 79' ' ' PHE . . . . . . . . . . . . . 38.7 p90 -148.38 154.29 39.74 Favored 'General case' 0 C--N 1.331 -0.198 0 CA-C-N 116.333 -0.394 . . . . 0.0 110.646 -179.927 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 80' ' ' THR . . . . . . . . . . . . . 71.0 m -153.71 133.44 13.02 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.625 -179.916 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 81' ' ' CYS . . . . . 0.551 ' N ' ' OD2' ' A' ' 70' ' ' ASP . 8.8 t -142.41 178.21 7.74 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.341 -0.39 . . . . 0.0 110.31 -179.966 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 82' ' ' ASP . . . . . 0.511 ' O ' ' ND1' ' A' ' 85' ' ' HIS . 90.2 m-20 -66.99 142.55 57.2 Favored 'General case' 0 C--N 1.324 -0.529 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.594 -179.796 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 95.9 mt-10 -54.39 120.67 6.91 Favored 'General case' 0 CA--C 1.516 -0.357 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.13 179.945 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 84' ' ' GLY . . . . . 0.458 ' O ' ' O ' ' A' ' 66' ' ' LYS . . . 106.21 14.48 20.38 Favored Glycine 0 CA--C 1.526 0.764 0 N-CA-C 110.738 -0.945 . . . . 0.0 110.738 179.979 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 85' ' ' HIS . . . . . 0.537 ' ND1' ' N ' ' A' ' 85' ' ' HIS . 0.9 OUTLIER -136.77 169.13 18.24 Favored 'General case' 0 N--CA 1.464 0.254 0 O-C-N 122.644 -0.327 . . . . 0.0 110.671 179.992 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 86' ' ' GLY . . . . . . . . . . . . . . . 84.35 45.69 6.09 Favored Glycine 0 C--N 1.336 0.542 0 N-CA-C 111.177 -0.769 . . . . 0.0 111.177 179.69 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 87' ' ' ILE . . . . . . . . . . . . . 18.4 tt -83.36 130.34 35.94 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.345 0 CA-C-O 120.88 0.371 . . . . 0.0 110.43 -179.973 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 88' ' ' PHE . . . . . 0.412 ' CD1' ' O ' ' A' ' 88' ' ' PHE . 50.8 p90 -78.28 136.45 37.75 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.045 -0.525 . . . . 0.0 110.899 -179.588 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 89' ' ' VAL . . . . . . . . . . . . . 27.0 m -142.98 158.24 17.93 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.258 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.377 179.604 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 90' ' ' ARG . . . . . . . . . . . . . 83.8 mtp180 -84.8 158.17 20.76 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.48 179.857 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 91' ' ' GLN . . . . . . . . . . . . . 52.9 tt0 -62.05 -41.17 97.84 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.428 -179.849 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 59.5 m -68.44 -33.24 73.84 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.751 179.948 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 93' ' ' GLN . . . . . . . . . . . . . 64.5 tp60 -68.17 -40.08 82.38 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.617 -179.259 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 94' ' ' ILE . . . . . . . . . . . . . 20.2 tt -93.81 127.66 45.7 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.26 0 CA-C-N 116.44 -0.345 . . . . 0.0 110.264 179.863 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 95' ' ' GLN . . . . . . . . . . . . . 51.5 tt0 -97.28 131.54 43.89 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.31 179.951 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 96' ' ' VAL . . . . . . . . . . . . . 6.1 p -67.77 138.86 21.85 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.026 -0.534 . . . . 0.0 110.522 -179.854 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 97' ' ' PHE . . . . . . . . . . . . . 80.5 t80 . . . . . 0 C--O 1.22 -0.471 0 CA-C-O 118.118 -0.944 . . . . 0.0 110.554 -179.955 . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 87.4 mtm180 . . . . . 0 C--O 1.231 0.119 0 CA-C-O 120.821 0.344 . . . . 0.0 110.663 . . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 30.7 m -66.96 132.61 32.2 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.5 -179.981 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . 94.74 -9.1 71.11 Favored Glycine 0 CA--C 1.524 0.611 0 N-CA-C 110.996 -0.842 . . . . 0.0 110.996 179.956 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 35.9 m -71.88 138.97 48.59 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-O 120.916 0.388 . . . . 0.0 110.465 -179.936 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 13.7 ptm180 -97.46 125.71 42.29 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.54 -179.878 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 2.5 m -138.55 167.66 20.9 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.529 179.817 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 84.5 tt0 -108.74 114.1 27.62 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.357 179.428 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 11.1 t -61.78 146.28 12.24 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.458 -179.898 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 93.2 mt -81.04 131.5 33.76 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.956 -179.071 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 91.95 -39.8 2.99 Favored Glycine 0 CA--C 1.522 0.477 0 N-CA-C 111.231 -0.748 . . . . 0.0 111.231 179.055 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 38' ' ' LYS . . . . . 0.412 ' CG ' ' H ' ' A' ' 39' ' ' GLY . 29.0 ttmt -163.02 -132.8 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.947 0.403 . . . . 0.0 110.536 179.756 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 39' ' ' GLY . . . . . 0.436 ' O ' ' O ' ' A' ' 40' ' ' HIS . . . 38.42 75.76 0.09 OUTLIER Glycine 0 CA--C 1.526 0.723 0 N-CA-C 111.112 -0.795 . . . . 0.0 111.112 179.567 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 40' ' ' HIS . . . . . 0.436 ' O ' ' O ' ' A' ' 39' ' ' GLY . 12.3 m-70 -46.92 177.63 0.0 OUTLIER 'General case' 0 C--N 1.327 -0.385 0 CA-C-O 120.828 0.347 . . . . 0.0 110.478 179.819 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 96.2 mtt180 -44.68 139.47 2.9 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.628 -179.483 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -165.71 154.2 24.71 Favored Glycine 0 CA--C 1.523 0.537 0 N-CA-C 110.939 -0.865 . . . . 0.0 110.939 179.977 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 16.6 p -100.67 140.74 34.52 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-O 120.753 0.311 . . . . 0.0 110.551 179.767 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 96.3 t -75.06 130.62 36.01 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.319 179.726 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -123.44 -28.88 3.87 Favored 'General case' 0 C--N 1.331 -0.203 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.622 -179.923 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 46' ' ' TYR . . . . . . . . . . . . . 68.8 t80 -136.99 120.92 17.59 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.288 -0.415 . . . . 0.0 110.646 -179.936 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 47' ' ' VAL . . . . . . . . . . . . . 2.2 p -130.53 123.22 54.67 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.416 179.806 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 160.25 -165.89 35.02 Favored Glycine 0 CA--C 1.522 0.501 0 N-CA-C 110.859 -0.896 . . . . 0.0 110.859 -179.991 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -105.55 137.29 43.63 Favored 'General case' 0 C--N 1.332 -0.193 0 CA-C-O 120.867 0.365 . . . . 0.0 110.46 179.756 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 50' ' ' THR . . . . . 0.466 ' O ' ' O ' ' A' ' 53' ' ' ALA . 31.8 p -111.22 145.19 39.15 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.638 -179.925 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 51' ' ' LEU . . . . . 0.453 ' CD2' HH12 ' A' ' 76' ' ' ARG . 33.0 tp -65.67 -21.17 66.53 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.493 179.988 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 52' ' ' PHE . . . . . . . . . . . . . 90.8 t80 -67.83 -27.9 67.1 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.549 -179.035 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 53' ' ' ALA . . . . . 0.466 ' O ' ' O ' ' A' ' 50' ' ' THR . . . -151.37 145.03 24.99 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.299 -0.409 . . . . 0.0 110.644 -179.939 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 54' ' ' THR . . . . . . . . . . . . . 12.9 p -83.08 170.2 15.07 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.28 -0.418 . . . . 0.0 110.588 -179.992 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . 89.09 -155.0 24.92 Favored Glycine 0 CA--C 1.523 0.565 0 N-CA-C 110.794 -0.923 . . . . 0.0 110.794 -179.695 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 42.9 tptt -112.78 124.76 53.32 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-O 120.97 0.414 . . . . 0.0 110.445 179.895 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 57' ' ' TRP . . . . . . . . . . . . . 97.9 m95 -126.47 141.19 51.97 Favored 'General case' 0 C--O 1.234 0.261 0 CA-C-N 116.251 -0.432 . . . . 0.0 110.611 179.919 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 58' ' ' VAL . . . . . . . . . . . . . 75.1 t -128.62 130.37 68.89 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.242 0 CA-C-N 116.305 -0.407 . . . . 0.0 110.558 179.979 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . -90.85 109.94 3.75 Favored Glycine 0 CA--C 1.525 0.717 0 N-CA-C 110.479 -1.049 . . . . 0.0 110.479 179.28 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 60' ' ' VAL . . . . . . . . . . . . . 11.0 t -105.98 134.52 47.29 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.248 0 CA-C-O 120.922 0.391 . . . . 0.0 110.952 -179.218 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 61' ' ' ILE . . . . . 0.434 HG21 HD12 ' A' ' 61' ' ' ILE . 5.4 mm -91.6 94.26 4.75 Favored 'Isoleucine or valine' 0 N--CA 1.463 0.197 0 CA-C-N 116.173 -0.467 . . . . 0.0 109.992 179.457 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 62' ' ' LEU . . . . . 0.436 ' O ' ' CD2' ' A' ' 85' ' ' HIS . 5.0 mt -68.38 135.48 51.85 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.083 -0.508 . . . . 0.0 110.71 -178.947 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 63.6 t0 -62.57 -40.94 98.47 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.424 179.866 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 64' ' ' GLU . . . . . 0.55 ' CD ' ' H ' ' A' ' 64' ' ' GLU . 0.9 OUTLIER -82.73 143.69 30.72 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.365 179.594 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -57.85 94.75 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.082 -0.508 . . . . 0.0 110.78 -179.628 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 66' ' ' LYS . . . . . 0.548 ' N ' ' O ' ' A' ' 84' ' ' GLY . 4.9 tptp -101.62 115.18 29.94 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 116.27 -0.423 . . . . 0.0 109.937 179.72 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . -44.29 105.51 0.08 OUTLIER Glycine 0 CA--C 1.519 0.296 0 C-N-CA 120.747 -0.74 . . . . 0.0 111.664 -178.483 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 6.1 tmtt? -171.54 129.52 0.68 Allowed 'General case' 0 C--N 1.331 -0.232 0 C-N-CA 121.064 -0.255 . . . . 0.0 110.508 179.639 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 69' ' ' ASN . . . . . . . . . . . . . 99.0 m-20 -85.11 120.54 26.72 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-O 120.988 0.423 . . . . 0.0 110.578 179.761 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 70' ' ' ASP . . . . . 0.499 ' OD1' ' N ' ' A' ' 81' ' ' CYS . 8.4 t70 -120.64 103.04 8.82 Favored 'General case' 0 C--N 1.332 -0.174 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.496 179.889 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . 179.71 -149.23 8.49 Favored Glycine 0 CA--C 1.526 0.721 0 N-CA-C 110.876 -0.89 . . . . 0.0 110.876 -179.757 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 72' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -63.53 125.88 25.68 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.806 0.336 . . . . 0.0 110.544 -179.636 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 73' ' ' VAL . . . . . . . . . . . . . 51.9 t -120.9 132.06 71.36 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.244 0 CA-C-N 116.297 -0.411 . . . . 0.0 110.407 -179.963 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 74' ' ' GLN . . . . . . . . . . . . . 97.3 mm-40 55.25 22.85 5.02 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.541 -179.905 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . 86.78 -0.41 86.48 Favored Glycine 0 CA--C 1.522 0.481 0 N-CA-C 110.956 -0.858 . . . . 0.0 110.956 179.9 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 76' ' ' ARG . . . . . 0.453 HH12 ' CD2' ' A' ' 51' ' ' LEU . 99.8 mtt180 -102.05 124.35 47.51 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-O 120.886 0.374 . . . . 0.0 110.503 -179.788 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 77.9 tttt -105.88 116.18 31.5 Favored 'General case' 0 C--N 1.331 -0.204 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.731 -179.813 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 78' ' ' TYR . . . . . . . . . . . . . 53.0 m-85 -122.3 -34.16 3.34 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.297 -0.411 . . . . 0.0 110.563 179.768 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 79' ' ' PHE . . . . . . . . . . . . . 8.2 p90 -154.1 152.73 30.78 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.586 179.956 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 80' ' ' THR . . . . . . . . . . . . . 91.9 m -136.73 132.84 35.39 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.771 -179.785 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 81' ' ' CYS . . . . . 0.499 ' N ' ' OD1' ' A' ' 70' ' ' ASP . 8.5 m -146.22 153.31 40.47 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.4 179.679 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 82' ' ' ASP . . . . . . . . . . . . . 96.9 m-20 -55.14 141.34 35.2 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.276 -0.42 . . . . 0.0 110.558 -179.535 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 97.5 mt-10 -52.32 139.32 24.62 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.524 179.875 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 84' ' ' GLY . . . . . 0.548 ' O ' ' N ' ' A' ' 66' ' ' LYS . . . 104.38 -14.05 51.13 Favored Glycine 0 CA--C 1.524 0.642 0 N-CA-C 110.866 -0.894 . . . . 0.0 110.866 -179.483 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 85' ' ' HIS . . . . . 0.754 ' ND1' ' N ' ' A' ' 85' ' ' HIS . 0.0 OUTLIER -124.68 166.66 15.74 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-O 120.841 0.353 . . . . 0.0 110.361 179.989 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 86' ' ' GLY . . . . . . . . . . . . . . . 84.53 69.21 1.37 Allowed Glycine 0 CA--C 1.52 0.384 0 N-CA-C 111.146 -0.782 . . . . 0.0 111.146 179.562 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 87' ' ' ILE . . . . . . . . . . . . . 12.5 tt -109.8 134.34 52.23 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-O 120.821 0.344 . . . . 0.0 110.562 179.939 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 88' ' ' PHE . . . . . . . . . . . . . 42.3 m-85 -80.55 134.45 35.93 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.52 -179.68 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 89' ' ' VAL . . . . . . . . . . . . . 35.6 m -135.88 158.88 39.46 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.202 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.445 179.997 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 90' ' ' ARG . . . . . . . . . . . . . 89.9 mtm180 -86.22 171.01 11.6 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.601 -179.958 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 91' ' ' GLN . . . . . . . . . . . . . 58.1 tt0 -64.14 -40.57 96.45 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.742 -179.758 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 78.1 p -68.77 -32.27 71.9 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.957 -179.595 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 93' ' ' GLN . . . . . . . . . . . . . 97.3 mt-30 -69.61 -43.13 73.37 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.062 -0.517 . . . . 0.0 110.955 -179.313 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 94' ' ' ILE . . . . . . . . . . . . . 20.5 tt -89.98 136.45 23.75 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.266 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.656 -179.819 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 95' ' ' GLN . . . . . . . . . . . . . 2.8 pt20 -135.84 155.48 50.26 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.518 179.725 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 96' ' ' VAL . . . . . . . . . . . . . 26.5 m -85.03 128.44 38.99 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.411 179.871 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 97' ' ' PHE . . . . . . . . . . . . . 48.5 p90 . . . . . 0 C--O 1.22 -0.456 0 CA-C-O 117.909 -1.043 . . . . 0.0 110.633 -179.803 . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 99.6 mtt180 . . . . . 0 N--CA 1.464 0.261 0 CA-C-O 121.143 0.497 . . . . 0.0 110.861 . . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 21.3 m -67.05 135.57 28.32 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.017 -0.538 . . . . 0.0 110.263 179.96 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . 91.55 -10.08 75.58 Favored Glycine 0 CA--C 1.526 0.719 0 N-CA-C 110.707 -0.957 . . . . 0.0 110.707 -179.767 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 13.4 p -74.8 154.77 38.16 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-O 120.769 0.319 . . . . 0.0 110.253 179.803 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 98.2 mtt180 -107.75 126.54 52.74 Favored 'General case' 0 N--CA 1.466 0.333 0 CA-C-N 116.378 -0.373 . . . . 0.0 110.308 -179.904 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 1.5 m -146.23 -172.78 0.39 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.051 -179.958 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 11.8 pt-20 -133.16 136.75 45.92 Favored 'General case' 0 N--CA 1.464 0.257 0 CA-C-N 116.039 -0.528 . . . . 0.0 110.258 179.24 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 35' ' ' VAL . . . . . 0.454 ' O ' ' O ' ' A' ' 38' ' ' LYS . 5.3 t -72.79 127.39 34.74 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.427 0 CA-C-O 121.41 0.624 . . . . 0.0 110.073 -179.763 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 95.8 mt -64.0 126.77 23.33 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.689 0 CA-C-N 115.963 -0.562 . . . . 0.0 111.013 -179.397 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 97.32 -36.91 3.66 Favored Glycine 0 CA--C 1.524 0.595 0 N-CA-C 111.252 -0.739 . . . . 0.0 111.252 179.439 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 38' ' ' LYS . . . . . 0.454 ' O ' ' O ' ' A' ' 35' ' ' VAL . 71.8 tttt -163.07 -135.33 0.03 OUTLIER 'General case' 0 C--N 1.331 -0.205 0 C-N-CA 120.664 -0.414 . . . . 0.0 110.267 179.919 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 39' ' ' GLY . . . . . 0.483 ' O ' ' O ' ' A' ' 40' ' ' HIS . . . 37.61 80.73 0.02 OUTLIER Glycine 0 CA--C 1.522 0.509 0 N-CA-C 111.082 -0.807 . . . . 0.0 111.082 179.577 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 40' ' ' HIS . . . . . 0.483 ' O ' ' O ' ' A' ' 39' ' ' GLY . 73.2 m80 -44.45 174.72 0.0 OUTLIER 'General case' 0 C--N 1.328 -0.352 0 CA-C-O 121.061 0.458 . . . . 0.0 110.643 -179.262 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 99.9 mtt180 -45.72 149.82 0.58 Allowed 'General case' 0 C--N 1.325 -0.471 0 CA-C-N 116.268 -0.424 . . . . 0.0 110.859 -179.246 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -168.25 176.19 42.77 Favored Glycine 0 CA--C 1.522 0.521 0 N-CA-C 110.857 -0.897 . . . . 0.0 110.857 -179.746 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 27.7 m -123.65 132.84 53.95 Favored 'General case' 0 N--CA 1.465 0.282 0 CA-C-O 120.853 0.358 . . . . 0.0 110.717 -179.427 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 95.5 t -72.34 132.47 33.34 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.073 -0.512 . . . . 0.0 110.071 179.996 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -127.78 -50.43 1.36 Allowed 'General case' 0 N--CA 1.465 0.285 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.753 -179.998 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 46' ' ' TYR . . . . . . . . . . . . . 70.3 t80 -111.86 127.66 55.9 Favored 'General case' 0 N--CA 1.465 0.316 0 CA-C-N 116.402 -0.363 . . . . 0.0 110.655 -179.819 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 47' ' ' VAL . . . . . . . . . . . . . 4.7 p -132.79 123.53 49.02 Favored 'Isoleucine or valine' 0 N--CA 1.463 0.22 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.338 179.855 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 160.79 -166.99 35.72 Favored Glycine 0 CA--C 1.52 0.383 0 N-CA-C 110.633 -0.987 . . . . 0.0 110.633 179.644 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -112.15 119.19 37.55 Favored 'General case' 0 N--CA 1.463 0.218 0 CA-C-O 120.845 0.355 . . . . 0.0 110.485 179.692 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 12.1 p -92.14 152.07 20.08 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.353 179.731 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 51' ' ' LEU . . . . . 0.409 ' H ' HH22 ' A' ' 76' ' ' ARG . 74.7 mt -70.85 -13.53 62.07 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.388 -179.74 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 52' ' ' PHE . . . . . . . . . . . . . 69.9 t80 -70.56 -26.31 63.48 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.64 -179.879 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -151.43 148.32 27.95 Favored 'General case' 0 C--O 1.232 0.151 0 CA-C-N 116.391 -0.368 . . . . 0.0 110.362 -179.943 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 54' ' ' THR . . . . . . . . . . . . . 58.6 p -83.27 166.13 18.79 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.502 179.996 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . 87.25 -151.18 23.31 Favored Glycine 0 CA--C 1.523 0.532 0 N-CA-C 110.631 -0.988 . . . . 0.0 110.631 179.927 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 64.5 tttp -111.21 136.28 50.52 Favored 'General case' 0 C--N 1.331 -0.206 0 CA-C-O 120.825 0.345 . . . . 0.0 110.409 179.977 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 57' ' ' TRP . . . . . . . . . . . . . 91.3 m95 -135.96 135.62 39.71 Favored 'General case' 0 C--N 1.332 -0.164 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.079 179.972 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 58' ' ' VAL . . . . . . . . . . . . . 43.6 t -121.98 126.4 74.42 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.253 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.203 179.959 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . -86.24 107.79 3.21 Favored Glycine 0 CA--C 1.52 0.35 0 N-CA-C 110.166 -1.174 . . . . 0.0 110.166 179.773 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 60' ' ' VAL . . . . . . . . . . . . . 24.1 t -110.28 133.18 56.5 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.338 0 CA-C-O 121.105 0.479 . . . . 0.0 110.824 -179.397 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 61' ' ' ILE . . . . . 0.554 ' N ' ' CD1' ' A' ' 61' ' ' ILE . 1.6 mp -90.06 105.69 16.44 Favored 'Isoleucine or valine' 0 CA--C 1.516 -0.342 0 CA-C-N 115.972 -0.558 . . . . 0.0 109.563 179.333 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 62' ' ' LEU . . . . . 0.535 ' O ' ' ND1' ' A' ' 85' ' ' HIS . 6.8 mt -76.68 146.86 37.82 Favored 'General case' 0 C--N 1.323 -0.562 0 CA-C-N 115.933 -0.576 . . . . 0.0 110.928 -179.215 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 45.0 t0 -71.58 -43.69 65.83 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.878 179.574 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 78.1 tt0 -79.09 151.93 31.12 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 116.28 -0.418 . . . . 0.0 110.367 -179.854 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -63.52 94.09 0.08 Allowed 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.721 -179.903 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 66' ' ' LYS . . . . . 0.53 ' N ' ' O ' ' A' ' 84' ' ' GLY . 5.5 tptp -103.74 112.97 26.15 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-O 121.53 0.681 . . . . 0.0 109.985 179.653 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . -45.61 104.7 0.07 OUTLIER Glycine 0 N--CA 1.445 -0.76 0 C-N-CA 120.421 -0.895 . . . . 0.0 112.405 -179.432 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 49.2 tptt -164.09 133.51 3.91 Favored 'General case' 0 C--N 1.323 -0.568 0 CA-C-N 115.341 -0.43 . . . . 0.0 110.804 178.815 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 69' ' ' ASN . . . . . . . . . . . . . 98.3 m-20 -82.65 120.63 25.8 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.514 179.035 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 70' ' ' ASP . . . . . 0.453 ' OD2' ' O ' ' A' ' 82' ' ' ASP . 27.8 p30 -121.73 108.11 13.14 Favored 'General case' 0 N--CA 1.467 0.385 0 CA-C-N 116.09 -0.504 . . . . 0.0 110.807 179.863 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . 175.55 -151.06 11.42 Favored Glycine 0 CA--C 1.521 0.468 0 N-CA-C 110.864 -0.894 . . . . 0.0 110.864 -179.979 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 72' ' ' THR . . . . . . . . . . . . . 4.3 t -67.74 121.48 16.03 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-O 120.758 0.313 . . . . 0.0 110.213 179.836 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 73' ' ' VAL . . . . . . . . . . . . . 85.9 t -120.12 131.8 71.49 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.325 0 CA-C-O 120.982 0.42 . . . . 0.0 110.396 179.883 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 74' ' ' GLN . . . . . . . . . . . . . 2.1 tp-100 57.44 21.33 6.83 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-N 115.935 -0.575 . . . . 0.0 110.409 -179.814 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . 82.03 7.8 87.39 Favored Glycine 0 CA--C 1.524 0.618 0 N-CA-C 110.951 -0.859 . . . . 0.0 110.951 -179.973 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 76' ' ' ARG . . . . . 0.409 HH22 ' H ' ' A' ' 51' ' ' LEU . 86.5 mtm180 -105.48 120.52 41.81 Favored 'General case' 0 N--CA 1.464 0.231 0 CA-C-O 120.787 0.327 . . . . 0.0 110.152 179.785 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 88.8 tttt -105.8 121.05 43.25 Favored 'General case' 0 C--N 1.331 -0.201 0 CA-C-N 116.253 -0.431 . . . . 0.0 110.233 179.789 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 78' ' ' TYR . . . . . . . . . . . . . 38.1 m-85 -122.52 -41.71 2.37 Favored 'General case' 0 N--CA 1.468 0.437 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.479 179.879 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 79' ' ' PHE . . . . . . . . . . . . . 54.3 p90 -154.46 158.17 39.53 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.378 -179.792 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 80' ' ' THR . . . . . . . . . . . . . 97.9 m -126.38 129.48 48.85 Favored 'General case' 0 N--CA 1.465 0.309 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.531 179.863 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 81' ' ' CYS . . . . . . . . . . . . . 9.0 t -140.16 159.78 41.42 Favored 'General case' 0 N--CA 1.463 0.221 0 CA-C-N 116.039 -0.528 . . . . 0.0 110.335 179.968 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 82' ' ' ASP . . . . . 0.453 ' O ' ' OD2' ' A' ' 70' ' ' ASP . 98.3 m-20 -68.32 137.28 54.52 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.624 -179.8 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 94.8 mt-10 -51.54 138.79 21.66 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.083 179.893 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 84' ' ' GLY . . . . . 0.53 ' O ' ' N ' ' A' ' 66' ' ' LYS . . . 113.48 -7.33 24.51 Favored Glycine 0 CA--C 1.524 0.648 0 N-CA-C 110.569 -1.012 . . . . 0.0 110.569 -179.799 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 85' ' ' HIS . . . . . 0.535 ' ND1' ' O ' ' A' ' 62' ' ' LEU . 10.6 m-70 -139.36 166.45 24.52 Favored 'General case' 0 C--N 1.33 -0.253 0 O-C-N 122.539 -0.389 . . . . 0.0 110.317 -179.811 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 86' ' ' GLY . . . . . . . . . . . . . . . 101.66 42.41 2.32 Favored Glycine 0 N--CA 1.464 0.502 0 N-CA-C 110.902 -0.879 . . . . 0.0 110.902 179.865 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 87' ' ' ILE . . . . . . . . . . . . . 3.3 tp -76.66 136.22 25.08 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.403 0 CA-C-O 120.721 0.295 . . . . 0.0 110.525 -179.861 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 88' ' ' PHE . . . . . . . . . . . . . 68.9 m-85 -88.91 119.86 29.81 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.992 0.425 . . . . 0.0 110.093 179.722 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 89' ' ' VAL . . . . . . . . . . . . . 16.5 m -132.64 164.55 34.8 Favored 'Isoleucine or valine' 0 N--CA 1.463 0.198 0 CA-C-N 115.877 -0.601 . . . . 0.0 110.381 -179.89 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 90' ' ' ARG . . . . . . . . . . . . . 35.2 ptt180 -97.35 155.66 16.79 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 115.944 -0.571 . . . . 0.0 110.676 -179.846 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 91' ' ' GLN . . . . . . . . . . . . . 54.5 tt0 -58.6 -39.92 81.77 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.037 -0.529 . . . . 0.0 110.685 -179.313 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 95.9 p -55.11 -35.29 64.48 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 116.36 -0.382 . . . . 0.0 110.587 -179.86 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 93' ' ' GLN . . . . . . . . . . . . . 56.5 tt0 -78.48 -17.31 56.47 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.368 -0.378 . . . . 0.0 110.541 -179.945 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 94' ' ' ILE . . . . . . . . . . . . . 49.2 mm -100.34 130.74 49.1 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.331 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.515 179.878 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 95' ' ' GLN . . . . . . . . . . . . . 60.0 tt0 -138.1 119.57 14.89 Favored 'General case' 0 C--N 1.332 -0.191 0 CA-C-N 115.826 -0.624 . . . . 0.0 110.524 -179.883 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 96' ' ' VAL . . . . . . . . . . . . . 13.7 p -71.09 137.09 24.5 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.339 0 CA-C-N 116.051 -0.522 . . . . 0.0 110.278 179.897 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 97' ' ' PHE . . . . . . . . . . . . . 87.7 t80 . . . . . 0 C--O 1.219 -0.522 0 CA-C-O 117.971 -1.014 . . . . 0.0 110.429 -179.969 . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 60.5 ttp180 . . . . . 0 N--CA 1.454 -0.234 0 CA-C-O 120.821 0.344 . . . . 0.0 110.278 . . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 18.1 m -61.21 132.56 26.83 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.377 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.313 -179.635 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . 102.33 -26.59 23.68 Favored Glycine 0 CA--C 1.524 0.648 0 N-CA-C 110.884 -0.886 . . . . 0.0 110.884 -179.948 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 42.4 t -71.19 140.79 50.62 Favored 'General case' 0 C--O 1.237 0.419 0 CA-C-O 120.806 0.336 . . . . 0.0 110.539 179.885 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 47.1 ptt85 -114.08 125.55 54.1 Favored 'General case' 0 N--CA 1.465 0.31 0 CA-C-O 121.268 0.556 . . . . 0.0 110.584 -180.0 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 2.9 m -147.43 -170.01 0.23 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 115.869 -0.605 . . . . 0.0 110.103 -179.672 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 18.1 pt-20 -130.44 131.31 45.14 Favored 'General case' 0 N--CA 1.463 0.212 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.346 179.521 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 4.3 t -67.84 136.03 27.34 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 N-CA-C 109.809 -0.441 . . . . 0.0 109.809 179.831 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 95.2 mt -72.92 127.37 34.86 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.533 0 CA-C-N 116.058 -0.519 . . . . 0.0 111.051 -179.363 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 93.96 -39.33 2.94 Favored Glycine 0 CA--C 1.52 0.39 0 N-CA-C 111.28 -0.728 . . . . 0.0 111.28 179.32 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 96.5 mttt -154.31 -141.14 0.1 Allowed 'General case' 0 C--N 1.329 -0.29 0 N-CA-C 109.938 -0.393 . . . . 0.0 109.938 -179.579 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 39' ' ' GLY . . . . . 0.476 ' O ' ' O ' ' A' ' 40' ' ' HIS . . . 38.04 78.5 0.05 OUTLIER Glycine 0 CA--C 1.524 0.64 0 N-CA-C 111.538 -0.625 . . . . 0.0 111.538 -179.966 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 40' ' ' HIS . . . . . 0.651 ' CG ' ' HZ2' ' A' ' 66' ' ' LYS . 60.2 m170 -45.39 177.11 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 121.073 0.463 . . . . 0.0 110.655 179.873 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 99.8 mtt180 -48.71 142.02 6.62 Favored 'General case' 0 C--N 1.324 -0.529 0 CA-C-O 121.006 0.431 . . . . 0.0 110.838 -179.806 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -171.19 167.9 41.04 Favored Glycine 0 CA--C 1.526 0.723 0 N-CA-C 110.86 -0.896 . . . . 0.0 110.86 -179.922 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 95.7 m -117.89 134.18 55.19 Favored 'General case' 0 N--CA 1.467 0.407 0 CA-C-O 120.927 0.394 . . . . 0.0 110.553 -179.754 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 85.9 t -71.99 131.66 34.37 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.238 0 CA-C-N 115.904 -0.589 . . . . 0.0 110.203 -179.678 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -125.4 -47.65 1.72 Allowed 'General case' 0 N--CA 1.466 0.329 0 CA-C-N 116.351 -0.386 . . . . 0.0 110.59 -179.929 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 46' ' ' TYR . . . . . . . . . . . . . 74.2 t80 -115.56 120.77 40.57 Favored 'General case' 0 N--CA 1.465 0.317 0 CA-C-N 116.439 -0.346 . . . . 0.0 110.503 179.747 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 47' ' ' VAL . . . . . . . . . . . . . 8.3 p -129.4 117.72 43.66 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.279 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.331 179.809 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 161.09 -176.44 37.67 Favored Glycine 0 CA--C 1.521 0.414 0 N-CA-C 110.63 -0.988 . . . . 0.0 110.63 179.863 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -97.39 146.79 24.84 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 120.688 0.28 . . . . 0.0 110.343 179.635 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 50' ' ' THR . . . . . 0.432 ' O ' ' O ' ' A' ' 53' ' ' ALA . 60.2 p -132.22 153.47 50.58 Favored 'General case' 0 N--CA 1.464 0.263 0 CA-C-O 120.947 0.403 . . . . 0.0 110.461 -179.888 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 59.5 mt -69.45 -18.64 63.74 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 115.953 -0.567 . . . . 0.0 110.426 -179.872 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 52' ' ' PHE . . . . . . . . . . . . . 84.7 t80 -69.35 -24.0 63.84 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.697 -179.623 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 53' ' ' ALA . . . . . 0.432 ' O ' ' O ' ' A' ' 50' ' ' THR . . . -147.9 142.61 26.68 Favored 'General case' 0 C--N 1.332 -0.175 0 CA-C-N 116.366 -0.379 . . . . 0.0 110.475 179.947 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 54' ' ' THR . . . . . . . . . . . . . 11.7 m -80.54 149.3 30.02 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.548 179.934 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . 86.38 -170.72 43.03 Favored Glycine 0 CA--C 1.521 0.442 0 N-CA-C 110.665 -0.974 . . . . 0.0 110.665 179.974 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 88.7 tttt -87.16 136.65 32.85 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 120.729 0.3 . . . . 0.0 110.486 179.786 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 57' ' ' TRP . . . . . . . . . . . . . 99.3 m95 -136.03 142.89 44.48 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.285 -0.416 . . . . 0.0 110.336 179.983 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 58' ' ' VAL . . . . . . . . . . . . . 19.4 t -125.39 127.8 72.13 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.37 0 CA-C-N 116.434 -0.348 . . . . 0.0 110.428 -179.708 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . -90.87 110.59 3.83 Favored Glycine 0 CA--C 1.518 0.259 0 N-CA-C 109.883 -1.287 . . . . 0.0 109.883 179.54 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 60' ' ' VAL . . . . . . . . . . . . . 40.8 t -109.76 135.18 49.52 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.314 0 CA-C-O 121.129 0.49 . . . . 0.0 110.651 -179.098 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 61' ' ' ILE . . . . . 0.534 ' CD1' ' N ' ' A' ' 61' ' ' ILE . 1.5 mp -90.55 107.24 18.25 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.249 0 CA-C-N 115.967 -0.561 . . . . 0.0 109.733 179.445 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 62' ' ' LEU . . . . . 0.558 ' O ' ' CD2' ' A' ' 85' ' ' HIS . 3.2 mm? -74.61 138.68 43.12 Favored 'General case' 0 C--N 1.32 -0.679 0 CA-C-N 115.858 -0.61 . . . . 0.0 111.03 -179.739 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 22.6 t0 -69.49 -37.98 77.47 Favored 'General case' 0 C--N 1.324 -0.511 0 CA-C-N 115.831 -0.622 . . . . 0.0 110.27 179.493 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 64' ' ' GLU . . . . . 0.491 ' OE1' ' N ' ' A' ' 64' ' ' GLU . 55.5 mp0 -88.86 170.65 10.54 Favored 'General case' 0 CA--C 1.521 -0.165 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.409 -179.96 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -70.23 96.24 1.08 Allowed 'General case' 0 C--N 1.326 -0.426 0 CA-C-N 116.413 -0.358 . . . . 0.0 110.899 -179.745 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 66' ' ' LYS . . . . . 0.651 ' HZ2' ' CG ' ' A' ' 40' ' ' HIS . 20.6 tptt -105.62 108.86 20.59 Favored 'General case' 0 C--N 1.332 -0.161 0 CA-C-O 121.186 0.517 . . . . 0.0 110.454 -179.937 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . -47.38 103.14 0.06 OUTLIER Glycine 0 C--N 1.316 -0.55 0 C-N-CA 120.677 -0.773 . . . . 0.0 112.323 -179.774 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 6.8 mmtt -171.38 132.99 0.8 Allowed 'General case' 0 C--N 1.328 -0.337 0 CA-C-O 120.855 0.359 . . . . 0.0 110.659 178.806 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 69' ' ' ASN . . . . . . . . . . . . . 64.2 t-20 -100.26 119.91 39.11 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.315 179.093 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 70' ' ' ASP . . . . . 0.472 ' OD2' ' CD1' ' A' ' 79' ' ' PHE . 2.8 t70 -121.14 102.6 8.42 Favored 'General case' 0 N--CA 1.466 0.363 0 CA-C-O 120.981 0.42 . . . . 0.0 110.284 179.66 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . -174.36 -149.01 6.85 Favored Glycine 0 CA--C 1.524 0.625 0 N-CA-C 110.959 -0.856 . . . . 0.0 110.959 179.939 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 72' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -69.41 116.96 10.43 Favored 'General case' 0 C--N 1.329 -0.325 0 C-N-CA 120.979 -0.288 . . . . 0.0 110.381 179.955 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 73' ' ' VAL . . . . . . . . . . . . . 60.2 t -126.57 133.2 69.17 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.27 0 CA-C-O 121.126 0.489 . . . . 0.0 110.386 -179.898 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 74' ' ' GLN . . . . . 0.444 ' OE1' ' NH2' ' A' ' 76' ' ' ARG . 7.9 tt0 62.84 19.57 11.59 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-N 115.929 -0.578 . . . . 0.0 110.629 -179.997 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . 86.97 0.9 85.27 Favored Glycine 0 CA--C 1.525 0.682 0 N-CA-C 111.091 -0.803 . . . . 0.0 111.091 179.848 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 76' ' ' ARG . . . . . 0.444 ' NH2' ' OE1' ' A' ' 74' ' ' GLN . 94.3 mtm-85 -127.2 131.01 50.75 Favored 'General case' 0 N--CA 1.464 0.228 0 CA-C-O 120.921 0.391 . . . . 0.0 110.325 179.699 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 20.6 ptmt -106.18 131.6 53.24 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.028 -0.533 . . . . 0.0 110.605 179.907 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 78' ' ' TYR . . . . . . . . . . . . . 71.1 m-85 -113.94 -22.07 10.29 Favored 'General case' 0 N--CA 1.465 0.3 0 CA-C-N 116.31 -0.405 . . . . 0.0 110.157 179.773 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 79' ' ' PHE . . . . . 0.539 ' CZ ' ' CE1' ' A' ' 88' ' ' PHE . 0.1 OUTLIER -154.4 158.78 40.53 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.384 -179.835 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 80' ' ' THR . . . . . 0.469 ' CG2' ' O ' ' A' ' 80' ' ' THR . 12.1 t -128.29 119.29 24.82 Favored 'General case' 0 C--N 1.331 -0.213 0 CA-C-N 115.989 -0.551 . . . . 0.0 110.917 179.907 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 81' ' ' CYS . . . . . 0.428 ' SG ' ' O ' ' A' ' 80' ' ' THR . 6.2 m -159.85 141.85 13.14 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.031 179.104 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 82' ' ' ASP . . . . . . . . . . . . . 96.1 m-20 -59.37 143.15 50.4 Favored 'General case' 0 C--N 1.326 -0.445 0 CA-C-O 121.233 0.539 . . . . 0.0 110.662 -179.682 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 96.1 mt-10 -48.59 149.38 1.7 Allowed 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.014 -0.539 . . . . 0.0 110.089 179.767 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 84' ' ' GLY . . . . . 0.449 ' O ' ' N ' ' A' ' 66' ' ' LYS . . . 97.71 -11.49 64.6 Favored Glycine 0 CA--C 1.522 0.531 0 N-CA-C 110.442 -1.063 . . . . 0.0 110.442 -179.64 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 85' ' ' HIS . . . . . 0.558 ' CD2' ' O ' ' A' ' 62' ' ' LEU . 9.4 m80 -140.63 164.33 30.46 Favored 'General case' 0 N--CA 1.465 0.301 0 CA-C-O 120.592 0.234 . . . . 0.0 110.481 179.953 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 86' ' ' GLY . . . . . . . . . . . . . . . 91.03 64.41 1.19 Allowed Glycine 0 CA--C 1.52 0.373 0 N-CA-C 110.774 -0.93 . . . . 0.0 110.774 -179.905 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 87' ' ' ILE . . . . . . . . . . . . . 11.4 tt -102.79 138.49 26.87 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.241 0 CA-C-O 120.886 0.374 . . . . 0.0 110.525 -179.899 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 88' ' ' PHE . . . . . 0.539 ' CE1' ' CZ ' ' A' ' 79' ' ' PHE . 7.0 m-85 -84.16 124.26 30.96 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 115.995 -0.548 . . . . 0.0 110.377 -179.523 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 89' ' ' VAL . . . . . . . . . . . . . 17.6 m -132.84 158.27 43.23 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.227 0 CA-C-N 116.075 -0.511 . . . . 0.0 110.483 179.829 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 90' ' ' ARG . . . . . . . . . . . . . 94.9 mtt180 -86.13 162.45 18.38 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 115.96 -0.564 . . . . 0.0 110.312 -179.67 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 91' ' ' GLN . . . . . 0.42 ' O ' ' O ' ' A' ' 94' ' ' ILE . 56.3 tt0 -60.69 -38.67 85.77 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.45 -179.746 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 82.0 p -62.66 -35.2 78.89 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.709 -179.855 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 93' ' ' GLN . . . . . . . . . . . . . 87.7 mt-30 -69.37 -48.29 61.69 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.281 -0.418 . . . . 0.0 111.129 -179.47 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 94' ' ' ILE . . . . . 0.42 ' O ' ' O ' ' A' ' 91' ' ' GLN . 16.6 tt -91.99 134.82 29.02 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.387 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.696 -179.826 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 95' ' ' GLN . . . . . . . . . . . . . 47.2 tt0 -145.49 158.02 43.91 Favored 'General case' 0 C--N 1.331 -0.203 0 CA-C-N 116.286 -0.416 . . . . 0.0 110.196 179.946 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 96' ' ' VAL . . . . . . . . . . . . . 24.0 m -106.2 132.53 53.1 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.235 0 CA-C-N 116.276 -0.42 . . . . 0.0 110.418 -179.931 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 97' ' ' PHE . . . . . . . . . . . . . 33.9 p90 . . . . . 0 C--O 1.219 -0.52 0 CA-C-O 117.968 -1.015 . . . . 0.0 110.39 179.932 . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 78.2 mtp85 . . . . . 0 C--O 1.231 0.124 0 CA-C-O 120.898 0.38 . . . . 0.0 110.553 . . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 4.9 p -65.93 132.64 31.48 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.258 0 CA-C-O 121.087 0.47 . . . . 0.0 110.434 179.845 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . 99.85 -16.03 58.94 Favored Glycine 0 CA--C 1.524 0.652 0 N-CA-C 110.855 -0.898 . . . . 0.0 110.855 179.858 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 27.8 t -73.68 145.25 45.39 Favored 'General case' 0 C--O 1.236 0.385 0 CA-C-O 121.002 0.43 . . . . 0.0 110.481 179.874 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 35.2 ptt-85 -103.23 123.96 47.73 Favored 'General case' 0 C--N 1.332 -0.16 0 CA-C-O 121.252 0.549 . . . . 0.0 110.554 179.846 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 3.0 m -146.1 163.06 10.37 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.604 179.673 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 34' ' ' GLU . . . . . 0.402 ' O ' ' CG ' ' A' ' 34' ' ' GLU . 18.6 pt-20 -106.58 126.12 51.87 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.324 -0.398 . . . . 0.0 110.501 178.979 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 35' ' ' VAL . . . . . 0.429 ' O ' ' O ' ' A' ' 38' ' ' LYS . 5.1 t -64.23 129.49 28.16 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.348 0 CA-C-O 121.045 0.45 . . . . 0.0 110.377 -179.853 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 36' ' ' ILE . . . . . 0.419 HD12 HG22 ' A' ' 36' ' ' ILE . 15.2 mm -66.1 124.9 22.17 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.407 0 CA-C-N 116.108 -0.496 . . . . 0.0 111.163 -179.3 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 98.92 -36.63 3.91 Favored Glycine 0 CA--C 1.523 0.56 0 N-CA-C 111.414 -0.674 . . . . 0.0 111.414 179.76 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 38' ' ' LYS . . . . . 0.464 ' HG2' ' H ' ' A' ' 39' ' ' GLY . 46.3 tttm -163.34 -135.1 0.03 OUTLIER 'General case' 0 C--N 1.328 -0.346 0 CA-C-O 121.068 0.461 . . . . 0.0 110.786 -179.814 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 39' ' ' GLY . . . . . 0.468 ' O ' ' O ' ' A' ' 40' ' ' HIS . . . 38.51 79.65 0.04 OUTLIER Glycine 0 CA--C 1.526 0.736 0 N-CA-C 110.812 -0.915 . . . . 0.0 110.812 179.662 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 40' ' ' HIS . . . . . 0.591 ' CG ' ' HZ3' ' A' ' 66' ' ' LYS . 0.5 OUTLIER -45.92 175.03 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.882 0.372 . . . . 0.0 110.425 -179.346 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 85.2 mtp180 -46.12 138.33 5.34 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.661 -179.702 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -167.33 170.27 41.49 Favored Glycine 0 CA--C 1.52 0.389 0 N-CA-C 110.806 -0.917 . . . . 0.0 110.806 -179.911 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 67.7 m -117.69 131.8 56.58 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-O 120.807 0.337 . . . . 0.0 110.722 -179.79 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 2.5 m -70.42 114.14 7.64 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.238 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.468 -179.669 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -90.03 -47.9 7.54 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.721 179.914 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 46' ' ' TYR . . . . . . . . . . . . . 88.1 t80 -144.23 132.94 22.37 Favored 'General case' 0 CA--C 1.519 -0.214 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.562 -179.698 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 47' ' ' VAL . . . . . . . . . . . . . 1.3 p -123.67 121.41 62.39 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.206 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.465 179.639 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 158.81 -159.33 30.18 Favored Glycine 0 CA--C 1.52 0.349 0 N-CA-C 110.658 -0.977 . . . . 0.0 110.658 179.441 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -116.62 152.59 33.9 Favored 'General case' 0 C--O 1.233 0.21 0 CA-C-O 120.966 0.412 . . . . 0.0 110.413 179.528 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 50' ' ' THR . . . . . 0.442 ' O ' ' O ' ' A' ' 53' ' ' ALA . 62.3 p -128.89 155.68 44.88 Favored 'General case' 0 C--N 1.333 -0.142 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.6 -179.877 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 64.7 mt -69.23 -19.24 63.94 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.524 -179.879 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 52' ' ' PHE . . . . . . . . . . . . . 71.7 t80 -70.81 -26.28 63.24 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.534 -179.684 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 53' ' ' ALA . . . . . 0.442 ' O ' ' O ' ' A' ' 50' ' ' THR . . . -145.36 141.61 28.64 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.443 -179.805 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 54' ' ' THR . . . . . . . . . . . . . 11.2 p -81.37 164.33 22.21 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.695 -179.785 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . 85.99 -151.01 24.46 Favored Glycine 0 CA--C 1.519 0.314 0 N-CA-C 110.915 -0.874 . . . . 0.0 110.915 179.824 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 87.4 tttt -133.58 131.9 40.22 Favored 'General case' 0 C--N 1.333 -0.152 0 CA-C-O 121.056 0.455 . . . . 0.0 110.33 179.849 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 57' ' ' TRP . . . . . . . . . . . . . 0.0 OUTLIER -141.59 159.34 42.41 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.485 179.836 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 58' ' ' VAL . . . . . . . . . . . . . 61.9 t -125.84 129.77 72.47 Favored 'Isoleucine or valine' 0 CA--C 1.521 -0.143 0 CA-C-N 116.02 -0.536 . . . . 0.0 110.931 179.586 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . -83.64 112.93 3.63 Favored Glycine 0 CA--C 1.521 0.422 0 N-CA-C 110.315 -1.114 . . . . 0.0 110.315 179.724 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 60' ' ' VAL . . . . . . . . . . . . . 40.1 t -117.37 134.22 61.64 Favored 'Isoleucine or valine' 0 C--O 1.234 0.249 0 CA-C-O 121.353 0.597 . . . . 0.0 110.93 -179.376 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 61' ' ' ILE . . . . . 0.524 ' N ' ' CD1' ' A' ' 61' ' ' ILE . 1.6 mp -95.84 109.41 22.62 Favored 'Isoleucine or valine' 0 CA--C 1.531 0.22 0 CA-C-N 115.937 -0.574 . . . . 0.0 109.901 179.416 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 62' ' ' LEU . . . . . 0.568 ' N ' ' CD2' ' A' ' 62' ' ' LEU . 3.2 mm? -73.21 134.99 44.52 Favored 'General case' 0 C--N 1.325 -0.486 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.57 179.908 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 46.9 t0 -67.44 -37.5 83.08 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.072 -0.513 . . . . 0.0 110.328 179.684 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 80.6 mm-40 -88.4 167.8 13.18 Favored 'General case' 0 C--N 1.331 -0.207 0 CA-C-N 116.246 -0.433 . . . . 0.0 110.303 179.979 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -67.48 95.56 0.47 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.866 -179.935 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 66' ' ' LYS . . . . . 0.591 ' HZ3' ' CG ' ' A' ' 40' ' ' HIS . 20.0 tptt -108.48 109.08 20.26 Favored 'General case' 0 CA--C 1.53 0.177 0 CA-C-N 116.335 -0.393 . . . . 0.0 110.123 179.746 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . -46.36 105.07 0.08 OUTLIER Glycine 0 N--CA 1.449 -0.485 0 C-N-CA 120.725 -0.75 . . . . 0.0 112.22 -179.705 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 6.1 tmtt? -167.85 132.69 1.83 Allowed 'General case' 0 C--N 1.329 -0.302 0 C-N-CA 121.185 -0.206 . . . . 0.0 110.544 179.412 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 69' ' ' ASN . . . . . . . . . . . . . 32.3 m120 -89.26 120.64 30.8 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-O 120.949 0.404 . . . . 0.0 110.806 179.677 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 50.4 t0 -122.22 102.43 8.12 Favored 'General case' 0 C--O 1.232 0.181 0 CA-C-N 116.301 -0.409 . . . . 0.0 110.697 179.776 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . -177.55 -160.8 24.84 Favored Glycine 0 CA--C 1.524 0.629 0 N-CA-C 110.897 -0.881 . . . . 0.0 110.897 179.758 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 72' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -67.28 126.72 30.13 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-O 121.008 0.432 . . . . 0.0 110.393 -179.916 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 73' ' ' VAL . . . . . . . . . . . . . 3.1 t -121.15 125.21 73.61 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.2 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.392 179.871 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 74' ' ' GLN . . . . . . . . . . . . . 45.7 tp60 53.44 29.23 8.58 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.48 179.897 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . 84.68 1.41 89.1 Favored Glycine 0 CA--C 1.521 0.438 0 N-CA-C 110.891 -0.884 . . . . 0.0 110.891 179.944 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 76' ' ' ARG . . . . . . . . . . . . . 6.4 mmp_? -95.29 114.06 25.8 Favored 'General case' 0 C--N 1.331 -0.207 0 CA-C-O 121.088 0.471 . . . . 0.0 110.364 -179.947 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 85.8 tttt -103.13 94.09 5.35 Favored 'General case' 0 CA--C 1.52 -0.203 0 CA-C-O 121.039 0.447 . . . . 0.0 110.516 -179.803 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 78' ' ' TYR . . . . . . . . . . . . . 48.4 m-85 -123.25 -23.65 4.84 Favored 'General case' 0 C--O 1.232 0.182 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.491 179.856 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 79' ' ' PHE . . . . . . . . . . . . . 67.9 m-85 -129.91 146.58 51.62 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-O 121.03 0.443 . . . . 0.0 110.284 -179.951 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 80' ' ' THR . . . . . 0.472 ' O ' ' CG2' ' A' ' 80' ' ' THR . 15.1 t -151.9 114.83 4.67 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.546 179.648 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 81' ' ' CYS . . . . . . . . . . . . . 6.5 t -160.39 155.9 25.28 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.454 179.725 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 82' ' ' ASP . . . . . . . . . . . . . 92.5 m-20 -61.26 139.5 58.14 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.266 -0.424 . . . . 0.0 110.727 179.912 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 98.1 mt-10 -48.58 133.98 16.16 Favored 'General case' 0 CA--C 1.519 -0.223 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.413 -179.891 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 84' ' ' GLY . . . . . 0.473 ' O ' ' N ' ' A' ' 66' ' ' LYS . . . 115.81 -3.05 21.33 Favored Glycine 0 CA--C 1.524 0.611 0 N-CA-C 110.654 -0.979 . . . . 0.0 110.654 -179.644 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 85' ' ' HIS . . . . . 0.505 ' ND1' ' O ' ' A' ' 62' ' ' LEU . 6.7 m-70 -145.04 166.99 23.74 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-O 120.919 0.39 . . . . 0.0 110.352 179.775 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 86' ' ' GLY . . . . . . . . . . . . . . . 108.62 43.61 1.22 Allowed Glycine 0 CA--C 1.524 0.615 0 N-CA-C 110.978 -0.849 . . . . 0.0 110.978 179.93 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 87' ' ' ILE . . . . . . . . . . . . . 3.7 mm -80.02 142.3 14.12 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.406 0 CA-C-O 121.026 0.441 . . . . 0.0 110.509 179.548 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 88' ' ' PHE . . . . . . . . . . . . . 88.3 m-85 -101.29 118.53 37.15 Favored 'General case' 0 C--O 1.234 0.276 0 CA-C-O 120.988 0.423 . . . . 0.0 110.195 -179.946 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 89' ' ' VAL . . . . . . . . . . . . . 33.3 m -127.08 160.33 35.97 Favored 'Isoleucine or valine' 0 CA--C 1.518 -0.279 0 CA-C-N 116.283 -0.417 . . . . 0.0 110.665 -179.911 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 90' ' ' ARG . . . . . . . . . . . . . 82.4 mtp180 -90.98 165.46 13.54 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.516 -179.806 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 91' ' ' GLN . . . . . . . . . . . . . 2.8 pt20 -60.52 -38.11 83.34 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.314 -0.403 . . . . 0.0 110.597 -179.923 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 36.8 t -66.25 -36.3 82.65 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 116.297 -0.411 . . . . 0.0 110.663 -179.797 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 93' ' ' GLN . . . . . . . . . . . . . 15.8 mm100 -68.71 -48.01 64.93 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.766 -179.266 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 94' ' ' ILE . . . . . . . . . . . . . 20.0 tt -91.14 133.19 33.59 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.343 0 CA-C-O 120.934 0.397 . . . . 0.0 110.753 -179.859 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 95' ' ' GLN . . . . . . . . . . . . . 20.1 mm100 -132.69 157.93 43.62 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-O 121.022 0.439 . . . . 0.0 110.427 -179.932 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 96' ' ' VAL . . . . . . . . . . . . . 4.1 p -118.26 131.55 70.7 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.169 0 CA-C-O 121.048 0.452 . . . . 0.0 110.319 -179.88 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 97' ' ' PHE . . . . . . . . . . . . . 52.7 p90 . . . . . 0 C--O 1.221 -0.447 0 CA-C-O 117.932 -1.032 . . . . 0.0 110.63 -179.934 . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 99.6 mtt180 . . . . . 0 N--CA 1.465 0.279 0 CA-C-O 120.957 0.408 . . . . 0.0 110.787 . . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 18.8 m -64.49 131.92 30.27 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.377 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.201 -179.877 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . 97.04 -6.79 64.25 Favored Glycine 0 CA--C 1.525 0.674 0 N-CA-C 110.931 -0.868 . . . . 0.0 110.931 -179.755 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 27.2 m -67.55 141.27 56.89 Favored 'General case' 0 C--N 1.33 -0.244 0 C-N-CA 120.994 -0.282 . . . . 0.0 110.241 179.964 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 39.0 mtp180 -101.35 120.92 40.99 Favored 'General case' 0 N--CA 1.465 0.285 0 CA-C-N 116.507 -0.315 . . . . 0.0 110.264 179.741 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 1.5 m -149.17 175.9 1.02 Allowed 'Isoleucine or valine' 0 C--N 1.331 -0.225 0 CA-C-N 115.872 -0.604 . . . . 0.0 109.947 -179.97 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 10.4 pt-20 -121.14 133.95 55.22 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.231 179.205 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 35' ' ' VAL . . . . . 0.475 ' O ' ' O ' ' A' ' 38' ' ' LYS . 4.7 t -73.65 123.45 28.78 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.386 0 CA-C-O 121.418 0.628 . . . . 0.0 110.291 -179.885 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 5.1 mm -66.73 127.34 28.0 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.825 0 CA-C-N 116.119 -0.492 . . . . 0.0 110.738 -179.449 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 98.83 -35.86 4.39 Favored Glycine 0 CA--C 1.522 0.482 0 N-CA-C 110.82 -0.912 . . . . 0.0 110.82 179.691 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 38' ' ' LYS . . . . . 0.475 ' O ' ' O ' ' A' ' 35' ' ' VAL . 23.7 ttpt -162.46 -138.62 0.04 OUTLIER 'General case' 0 C--N 1.331 -0.199 0 C-N-CA 120.688 -0.405 . . . . 0.0 110.243 -179.924 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 39' ' ' GLY . . . . . 0.472 ' O ' ' O ' ' A' ' 40' ' ' HIS . . . 35.75 78.51 0.04 OUTLIER Glycine 0 C--N 1.336 0.541 0 N-CA-C 111.074 -0.81 . . . . 0.0 111.074 179.527 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 40' ' ' HIS . . . . . 0.589 ' CG ' ' H ' ' A' ' 41' ' ' ARG . 13.7 t-80 -45.17 174.71 0.0 OUTLIER 'General case' 0 C--N 1.327 -0.406 0 CA-C-O 120.913 0.387 . . . . 0.0 110.499 -179.293 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 41' ' ' ARG . . . . . 0.589 ' H ' ' CG ' ' A' ' 40' ' ' HIS . 90.4 mtm180 -45.82 143.09 2.23 Favored 'General case' 0 C--N 1.325 -0.48 0 CA-C-N 116.345 -0.389 . . . . 0.0 110.706 -179.473 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -173.73 -176.13 41.95 Favored Glycine 0 CA--C 1.525 0.666 0 N-CA-C 110.658 -0.977 . . . . 0.0 110.658 -179.895 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 17.6 m -126.07 137.68 53.64 Favored 'General case' 0 N--CA 1.466 0.357 0 CA-C-O 120.735 0.302 . . . . 0.0 110.516 -179.664 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 2.1 m -74.62 115.53 15.98 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-O 120.974 0.416 . . . . 0.0 110.252 -179.857 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -98.3 -48.78 4.94 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.501 179.879 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 46' ' ' TYR . . . . . . . . . . . . . 78.6 t80 -124.03 126.05 45.6 Favored 'General case' 0 N--CA 1.467 0.382 0 CA-C-N 116.396 -0.365 . . . . 0.0 110.616 -179.815 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 47' ' ' VAL . . . . . . . . . . . . . 2.8 p -134.39 121.57 37.2 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.27 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.471 179.886 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 160.34 -173.94 37.0 Favored Glycine 0 CA--C 1.52 0.35 0 N-CA-C 110.676 -0.969 . . . . 0.0 110.676 179.496 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -96.82 145.62 25.67 Favored 'General case' 0 C--N 1.328 -0.332 0 N-CA-C 110.1 -0.333 . . . . 0.0 110.1 179.461 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 71.7 p -129.88 147.48 51.65 Favored 'General case' 0 N--CA 1.465 0.292 0 CA-C-O 120.955 0.407 . . . . 0.0 110.369 -179.97 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 75.6 mt -69.59 -13.47 62.34 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-N 116.008 -0.542 . . . . 0.0 110.555 -179.64 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 52' ' ' PHE . . . . . . . . . . . . . 63.6 t80 -69.25 -28.55 66.42 Favored 'General case' 0 C--N 1.327 -0.413 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.6 -179.832 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -151.49 154.15 36.0 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-N 116.465 -0.334 . . . . 0.0 110.517 -179.909 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 54' ' ' THR . . . . . . . . . . . . . 70.2 p -80.54 159.9 25.35 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.287 -0.415 . . . . 0.0 110.448 179.998 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . 87.2 -154.02 25.96 Favored Glycine 0 CA--C 1.522 0.495 0 N-CA-C 110.486 -1.046 . . . . 0.0 110.486 -179.881 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 36.0 ttmt -117.38 118.44 32.25 Favored 'General case' 0 CA--C 1.52 -0.184 0 CA-C-O 120.766 0.317 . . . . 0.0 110.409 179.891 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 57' ' ' TRP . . . . . . . . . . . . . 6.5 m0 -104.23 137.22 42.47 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.216 -179.916 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 58' ' ' VAL . . . . . . . . . . . . . 47.6 t -128.89 123.31 58.75 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.23 0 CA-C-N 115.956 -0.565 . . . . 0.0 110.469 179.859 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . -89.44 117.71 5.02 Favored Glycine 0 CA--C 1.519 0.33 0 N-CA-C 109.919 -1.272 . . . . 0.0 109.919 179.527 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 60' ' ' VAL . . . . . . . . . . . . . 56.1 t -114.3 137.27 48.15 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.32 0 CA-C-O 121.441 0.639 . . . . 0.0 110.744 -179.359 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 61' ' ' ILE . . . . . 0.415 ' N ' ' CD1' ' A' ' 61' ' ' ILE . 1.7 mp -98.67 114.94 37.79 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 N-CA-C 109.339 -0.615 . . . . 0.0 109.339 179.625 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 62' ' ' LEU . . . . . 0.649 ' H ' ' CD2' ' A' ' 62' ' ' LEU . 0.5 OUTLIER -77.1 143.06 39.47 Favored 'General case' 0 C--N 1.323 -0.557 0 CA-C-N 115.574 -0.739 . . . . 0.0 110.708 -179.869 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 90.9 m-20 -62.62 -44.43 96.3 Favored 'General case' 0 N--CA 1.448 -0.559 0 CA-C-N 115.531 -0.759 . . . . 0.0 110.575 -179.914 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 18.7 pt-20 -93.3 167.35 11.8 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.112 179.646 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -55.46 135.6 50.39 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 116.333 -0.394 . . . . 0.0 110.63 -179.802 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 66' ' ' LYS . . . . . 0.429 ' O ' ' O ' ' A' ' 84' ' ' GLY . 11.1 tptm -143.99 104.6 4.17 Favored 'General case' 0 C--O 1.225 -0.19 0 CA-C-O 121.26 0.552 . . . . 0.0 110.101 179.787 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . -44.28 103.09 0.04 OUTLIER Glycine 0 C--N 1.316 -0.547 0 C-N-CA 120.468 -0.872 . . . . 0.0 112.015 -179.221 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 28.3 tptp -169.3 131.82 1.22 Allowed 'General case' 0 C--N 1.325 -0.465 0 CA-C-N 115.119 -0.54 . . . . 0.0 110.789 179.011 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 69' ' ' ASN . . . . . 0.443 ' OD1' ' O ' ' A' ' 69' ' ' ASN . 35.2 p-10 -94.37 121.52 35.98 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.317 179.031 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 70' ' ' ASP . . . . . 0.483 ' OD2' ' N ' ' A' ' 81' ' ' CYS . 9.3 t70 -120.92 104.66 10.0 Favored 'General case' 0 N--CA 1.465 0.325 0 CA-C-N 116.311 -0.404 . . . . 0.0 110.369 179.95 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . -176.96 -151.99 9.48 Favored Glycine 0 CA--C 1.523 0.592 0 N-CA-C 110.892 -0.883 . . . . 0.0 110.892 -179.989 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 72' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -66.46 111.59 3.65 Favored 'General case' 0 C--N 1.327 -0.409 0 N-CA-C 110.141 -0.318 . . . . 0.0 110.141 179.98 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 73' ' ' VAL . . . . . . . . . . . . . 78.6 t -118.21 129.14 74.98 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.231 0 CA-C-O 121.0 0.428 . . . . 0.0 110.23 -179.952 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 74' ' ' GLN . . . . . . . . . . . . . 37.1 tp60 55.35 21.54 4.26 Favored 'General case' 0 C--N 1.325 -0.46 0 CA-C-N 115.89 -0.596 . . . . 0.0 110.413 179.938 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . 83.13 4.53 89.75 Favored Glycine 0 CA--C 1.523 0.533 0 N-CA-C 111.021 -0.832 . . . . 0.0 111.021 -179.848 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 76' ' ' ARG . . . . . . . . . . . . . 6.7 mmp_? -103.09 121.75 43.24 Favored 'General case' 0 CA--C 1.521 -0.169 0 CA-C-O 120.767 0.317 . . . . 0.0 110.597 179.919 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 89.0 tttt -105.82 89.89 3.22 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.113 179.48 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 78' ' ' TYR . . . . . . . . . . . . . 36.7 m-85 -108.45 -28.29 9.44 Favored 'General case' 0 N--CA 1.466 0.333 0 CA-C-N 116.298 -0.41 . . . . 0.0 110.5 179.876 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 79' ' ' PHE . . . . . . . . . . . . . 4.4 p90 -144.6 152.88 41.15 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.343 -0.389 . . . . 0.0 110.577 -179.869 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 80' ' ' THR . . . . . . . . . . . . . 53.5 m -147.85 125.5 11.81 Favored 'General case' 0 C--N 1.331 -0.206 0 CA-C-N 115.92 -0.582 . . . . 0.0 110.646 179.85 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 81' ' ' CYS . . . . . 0.483 ' N ' ' OD2' ' A' ' 70' ' ' ASP . 5.6 t -155.25 157.67 37.63 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 116.097 -0.501 . . . . 0.0 110.283 179.662 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 82' ' ' ASP . . . . . . . . . . . . . 98.8 m-20 -60.69 140.19 57.59 Favored 'General case' 0 C--O 1.236 0.378 0 CA-C-O 121.293 0.568 . . . . 0.0 110.521 -179.914 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 81.6 tt0 -48.16 138.28 9.67 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 115.922 -0.581 . . . . 0.0 110.076 -179.863 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 84' ' ' GLY . . . . . 0.429 ' O ' ' O ' ' A' ' 66' ' ' LYS . . . 103.83 -3.63 45.53 Favored Glycine 0 CA--C 1.523 0.593 0 N-CA-C 110.613 -0.995 . . . . 0.0 110.613 -179.721 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 85' ' ' HIS . . . . . . . . . . . . . 49.9 m-70 -141.99 165.17 28.18 Favored 'General case' 0 N--CA 1.463 0.199 0 C-N-CA 121.166 -0.213 . . . . 0.0 110.814 179.954 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 86' ' ' GLY . . . . . . . . . . . . . . . 101.3 42.61 2.34 Favored Glycine 0 C--N 1.338 0.691 0 N-CA-C 110.933 -0.867 . . . . 0.0 110.933 179.978 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 87' ' ' ILE . . . . . . . . . . . . . 3.4 tp -78.54 132.37 32.47 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.381 0 N-CA-C 110.178 -0.304 . . . . 0.0 110.178 -179.953 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 88' ' ' PHE . . . . . 0.494 ' CD1' ' O ' ' A' ' 88' ' ' PHE . 51.7 p90 -87.72 131.33 34.52 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.912 -179.816 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 89' ' ' VAL . . . . . . . . . . . . . 30.5 m -136.46 160.0 37.86 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.241 0 CA-C-N 116.059 -0.519 . . . . 0.0 110.204 179.629 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 90' ' ' ARG . . . . . . . . . . . . . 92.0 mtt180 -86.21 163.52 17.73 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 115.963 -0.562 . . . . 0.0 110.536 -179.815 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 91' ' ' GLN . . . . . . . . . . . . . 60.8 tt0 -60.09 -41.59 92.81 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.492 -179.551 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 63.5 p -63.66 -32.73 74.3 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.82 179.873 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 93' ' ' GLN . . . . . . . . . . . . . 86.7 mt-30 -69.08 -48.25 63.17 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.304 -0.407 . . . . 0.0 110.851 -179.786 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 94' ' ' ILE . . . . . . . . . . . . . 20.7 tt -90.21 128.35 42.19 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.368 0 CA-C-N 116.313 -0.403 . . . . 0.0 110.462 179.971 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 95' ' ' GLN . . . . . . . . . . . . . 86.1 mt-30 -143.44 154.65 43.9 Favored 'General case' 0 C--N 1.331 -0.199 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.564 -179.831 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 96' ' ' VAL . . . . . . . . . . . . . 29.3 m -75.07 138.16 21.53 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 115.979 -0.555 . . . . 0.0 110.596 -179.92 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 97' ' ' PHE . . . . . . . . . . . . . 89.8 t80 . . . . . 0 C--O 1.22 -0.467 0 CA-C-O 118.05 -0.976 . . . . 0.0 110.56 -179.983 . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 93.4 mtt-85 . . . . . 0 N--CA 1.456 -0.17 0 CA-C-O 120.924 0.392 . . . . 0.0 110.652 . . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 6.7 m -67.13 135.99 27.53 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.418 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.416 -179.871 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . 94.99 -12.51 68.4 Favored Glycine 0 CA--C 1.524 0.622 0 N-CA-C 110.869 -0.892 . . . . 0.0 110.869 -179.862 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 6.6 p -71.84 146.4 47.99 Favored 'General case' 0 C--N 1.329 -0.285 0 N-CA-C 110.003 -0.369 . . . . 0.0 110.003 179.954 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 32.2 ptt85 -107.97 123.04 48.04 Favored 'General case' 0 N--CA 1.465 0.305 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.391 179.752 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 3.3 m -145.85 165.72 9.69 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 115.86 -0.609 . . . . 0.0 110.363 179.887 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 13.8 pt-20 -106.73 129.31 54.63 Favored 'General case' 0 N--CA 1.464 0.24 0 CA-C-N 116.283 -0.417 . . . . 0.0 109.992 179.343 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 35' ' ' VAL . . . . . 0.447 ' O ' ' O ' ' A' ' 38' ' ' LYS . 21.6 t -68.09 128.91 32.22 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 CA-C-O 121.237 0.541 . . . . 0.0 109.812 -179.686 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 89.7 mt -63.92 126.54 22.78 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.634 0 C-N-CA 120.343 -0.543 . . . . 0.0 111.099 -179.189 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 97.8 -37.24 3.54 Favored Glycine 0 CA--C 1.527 0.803 0 N-CA-C 111.333 -0.707 . . . . 0.0 111.333 179.482 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 38' ' ' LYS . . . . . 0.447 ' O ' ' O ' ' A' ' 35' ' ' VAL . 25.4 pttm -163.79 -136.93 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.248 0 CA-C-O 120.825 0.345 . . . . 0.0 110.511 -179.986 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 39' ' ' GLY . . . . . 0.463 ' O ' ' O ' ' A' ' 40' ' ' HIS . . . 40.07 79.82 0.04 OUTLIER Glycine 0 C--N 1.334 0.447 0 N-CA-C 111.25 -0.74 . . . . 0.0 111.25 179.137 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 40' ' ' HIS . . . . . 0.463 ' O ' ' O ' ' A' ' 39' ' ' GLY . 59.9 m170 -44.58 173.81 0.0 OUTLIER 'General case' 0 C--N 1.33 -0.269 0 CA-C-O 121.012 0.434 . . . . 0.0 110.481 -179.547 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 82.4 mtp180 -46.39 139.99 4.5 Favored 'General case' 0 C--N 1.325 -0.473 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.986 -179.43 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -166.6 163.09 36.73 Favored Glycine 0 CA--C 1.524 0.646 0 N-CA-C 110.762 -0.935 . . . . 0.0 110.762 179.901 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 12.5 p -109.26 141.07 42.08 Favored 'General case' 0 N--CA 1.466 0.334 0 CA-C-O 120.958 0.409 . . . . 0.0 110.857 -179.703 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 1.6 m -78.34 113.03 17.04 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 115.979 -0.555 . . . . 0.0 109.965 -179.935 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -97.6 -48.52 5.22 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.836 -179.854 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 46' ' ' TYR . . . . . . . . . . . . . 80.2 t80 -124.19 132.09 53.59 Favored 'General case' 0 N--CA 1.467 0.4 0 CA-C-O 120.989 0.423 . . . . 0.0 110.886 -179.438 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 47' ' ' VAL . . . . . . . . . . . . . 2.6 p -132.71 120.87 43.33 Favored 'Isoleucine or valine' 0 C--N 1.333 -0.151 0 CA-C-N 115.998 -0.546 . . . . 0.0 110.382 179.649 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 48' ' ' GLY . . . . . 0.422 ' O ' ' O ' ' A' ' 57' ' ' TRP . . . 160.17 -178.48 36.2 Favored Glycine 0 CA--C 1.52 0.36 0 N-CA-C 110.668 -0.973 . . . . 0.0 110.668 179.385 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -88.52 135.69 33.36 Favored 'General case' 0 C--N 1.328 -0.349 0 N-CA-C 110.059 -0.348 . . . . 0.0 110.059 179.328 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 50' ' ' THR . . . . . 0.478 ' O ' ' O ' ' A' ' 53' ' ' ALA . 76.7 p -110.88 144.52 39.8 Favored 'General case' 0 N--CA 1.466 0.369 0 CA-C-O 120.918 0.389 . . . . 0.0 110.352 -179.946 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 62.4 mt -69.52 -17.72 63.61 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.5 -179.775 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 52' ' ' PHE . . . . . . . . . . . . . 81.0 t80 -69.74 -21.88 63.42 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.07 -0.514 . . . . 0.0 110.556 -179.78 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 53' ' ' ALA . . . . . 0.478 ' O ' ' O ' ' A' ' 50' ' ' THR . . . -149.37 149.21 30.5 Favored 'General case' 0 N--CA 1.463 0.188 0 CA-C-O 120.927 0.394 . . . . 0.0 110.508 179.899 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 54' ' ' THR . . . . . . . . . . . . . 18.6 m -78.72 153.49 30.84 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-N 116.294 -0.412 . . . . 0.0 110.816 -179.8 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . 86.72 -163.15 34.93 Favored Glycine 0 CA--C 1.52 0.36 0 N-CA-C 110.505 -1.038 . . . . 0.0 110.505 179.873 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 36.9 ttmt -100.55 141.18 33.78 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.897 0.38 . . . . 0.0 110.252 179.995 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 57' ' ' TRP . . . . . 0.422 ' O ' ' O ' ' A' ' 48' ' ' GLY . 94.5 m95 -137.53 140.89 41.37 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.365 179.784 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 58' ' ' VAL . . . . . . . . . . . . . 47.7 t -117.88 127.03 75.21 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.332 0 CA-C-N 116.406 -0.361 . . . . 0.0 110.508 -179.999 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . -89.33 115.28 4.47 Favored Glycine 0 CA--C 1.519 0.319 0 N-CA-C 109.961 -1.256 . . . . 0.0 109.961 179.739 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 60' ' ' VAL . . . . . . . . . . . . . 43.4 t -116.99 137.2 51.66 Favored 'Isoleucine or valine' 0 C--O 1.233 0.192 0 CA-C-O 121.139 0.495 . . . . 0.0 110.621 -179.302 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 61' ' ' ILE . . . . . 0.511 ' N ' ' CD1' ' A' ' 61' ' ' ILE . 1.7 mp -99.16 110.98 27.56 Favored 'Isoleucine or valine' 0 CA--C 1.517 -0.307 0 N-CA-C 109.09 -0.707 . . . . 0.0 109.09 179.061 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 62' ' ' LEU . . . . . 0.667 ' H ' ' CD2' ' A' ' 62' ' ' LEU . 0.4 OUTLIER -75.74 146.99 39.66 Favored 'General case' 0 C--N 1.324 -0.507 0 CA-C-N 115.526 -0.761 . . . . 0.0 110.801 -179.504 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 88.4 m-20 -67.82 -19.19 65.04 Favored 'General case' 0 C--N 1.322 -0.596 0 CA-C-N 115.552 -0.749 . . . . 0.0 110.516 -179.762 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 64' ' ' GLU . . . . . 0.415 ' O ' ' NE2' ' A' ' 85' ' ' HIS . 80.2 mm-40 -109.87 176.07 5.2 Favored 'General case' 0 N--CA 1.465 0.321 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.356 -179.976 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -77.5 95.03 4.4 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.089 -0.505 . . . . 0.0 110.766 -179.514 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 66' ' ' LYS . . . . . 0.531 ' N ' ' O ' ' A' ' 84' ' ' GLY . 4.7 tptp -97.48 107.37 19.87 Favored 'General case' 0 N--CA 1.464 0.228 0 CA-C-O 121.177 0.513 . . . . 0.0 109.744 179.903 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . -43.33 101.44 0.02 OUTLIER Glycine 0 C--N 1.315 -0.592 0 C-N-CA 120.475 -0.869 . . . . 0.0 112.124 -179.186 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 19.8 tptp -165.92 136.07 3.47 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-N 114.975 -0.612 . . . . 0.0 110.878 179.388 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 69' ' ' ASN . . . . . . . . . . . . . 86.4 m-20 -87.87 120.23 29.0 Favored 'General case' 0 C--N 1.331 -0.211 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.543 179.722 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 32.7 t0 -116.49 107.2 14.47 Favored 'General case' 0 N--CA 1.466 0.342 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.369 179.738 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . 177.41 -150.75 10.33 Favored Glycine 0 CA--C 1.523 0.556 0 N-CA-C 110.961 -0.856 . . . . 0.0 110.961 -179.908 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 72' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -67.67 122.48 18.14 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.637 0.256 . . . . 0.0 110.381 179.982 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 73' ' ' VAL . . . . . . . . . . . . . 92.2 t -120.35 126.6 75.44 Favored 'Isoleucine or valine' 0 N--CA 1.463 0.213 0 CA-C-O 121.099 0.476 . . . . 0.0 110.165 179.7 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 74' ' ' GLN . . . . . . . . . . . . . 39.9 tp60 60.11 20.2 9.45 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-N 115.838 -0.619 . . . . 0.0 110.297 -179.824 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . 89.56 -2.94 83.32 Favored Glycine 0 CA--C 1.525 0.706 0 N-CA-C 111.124 -0.79 . . . . 0.0 111.124 179.944 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 76' ' ' ARG . . . . . . . . . . . . . 83.5 mmt-85 -103.63 124.94 49.75 Favored 'General case' 0 CA--C 1.519 -0.225 0 CA-C-O 120.98 0.419 . . . . 0.0 109.928 -179.81 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 88.6 tttt -104.52 105.23 15.26 Favored 'General case' 0 C--N 1.332 -0.19 0 CA-C-N 115.907 -0.588 . . . . 0.0 110.572 -179.836 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 78' ' ' TYR . . . . . . . . . . . . . 67.3 m-85 -94.36 -49.53 5.66 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.092 -0.504 . . . . 0.0 110.368 179.47 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 79' ' ' PHE . . . . . . . . . . . . . 25.1 p90 -155.34 160.09 40.45 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 115.946 -0.57 . . . . 0.0 110.643 179.992 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 80' ' ' THR . . . . . . . . . . . . . 97.4 m -128.44 129.27 45.89 Favored 'General case' 0 N--CA 1.465 0.288 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.626 179.969 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 81' ' ' CYS . . . . . . . . . . . . . 8.6 t -136.77 168.2 19.99 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.054 -0.521 . . . . 0.0 110.203 179.934 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 82' ' ' ASP . . . . . . . . . . . . . 98.3 m-20 -63.29 139.39 58.77 Favored 'General case' 0 C--N 1.325 -0.47 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.775 -179.709 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 80.9 mm-40 -51.11 116.6 2.09 Favored 'General case' 0 CA--C 1.514 -0.406 0 CA-C-N 115.933 -0.576 . . . . 0.0 109.883 179.796 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 84' ' ' GLY . . . . . 0.531 ' O ' ' N ' ' A' ' 66' ' ' LYS . . . 115.86 9.58 12.17 Favored Glycine 0 CA--C 1.527 0.795 0 N-CA-C 110.763 -0.935 . . . . 0.0 110.763 -179.957 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 85' ' ' HIS . . . . . 0.415 ' NE2' ' O ' ' A' ' 64' ' ' GLU . 32.0 m170 -134.68 169.39 17.4 Favored 'General case' 0 N--CA 1.467 0.399 0 O-C-N 122.603 -0.351 . . . . 0.0 110.842 179.883 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 86' ' ' GLY . . . . . . . . . . . . . . . 85.29 47.76 5.07 Favored Glycine 0 C--N 1.337 0.634 0 N-CA-C 111.081 -0.808 . . . . 0.0 111.081 -179.993 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 87' ' ' ILE . . . . . . . . . . . . . 16.7 tt -85.35 130.0 36.95 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.245 0 CA-C-O 121.026 0.441 . . . . 0.0 110.577 -179.911 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 88' ' ' PHE . . . . . . . . . . . . . 53.1 m-85 -77.24 136.54 38.54 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 115.838 -0.619 . . . . 0.0 110.586 -179.61 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 89' ' ' VAL . . . . . . . . . . . . . 33.8 m -140.56 158.11 24.38 Favored 'Isoleucine or valine' 0 C--O 1.236 0.355 0 CA-C-N 115.996 -0.547 . . . . 0.0 110.306 179.51 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 90' ' ' ARG . . . . . . . . . . . . . 84.1 mtp180 -77.76 150.69 34.33 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 115.835 -0.621 . . . . 0.0 110.329 179.67 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 91' ' ' GLN . . . . . . . . . . . . . 22.6 pt20 -63.18 -34.25 77.22 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.099 -0.5 . . . . 0.0 110.689 -179.75 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 77.6 p -72.52 -32.83 66.45 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.133 179.903 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 93' ' ' GLN . . . . . . . . . . . . . 3.2 tp-100 -69.38 -37.28 77.49 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.853 -179.199 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 94' ' ' ILE . . . . . . . . . . . . . 19.5 tt -88.99 132.63 33.3 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.101 -179.868 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 95' ' ' GLN . . . . . . . . . . . . . 58.2 tt0 -139.4 155.26 47.74 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.172 -179.895 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 96' ' ' VAL . . . . . . . . . . . . . 6.2 p -120.11 131.48 72.36 Favored 'Isoleucine or valine' 0 N--CA 1.463 0.201 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.181 -179.876 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 97' ' ' PHE . . . . . . . . . . . . . 42.9 t80 . . . . . 0 C--O 1.219 -0.5 0 CA-C-O 117.992 -1.004 . . . . 0.0 110.451 -179.662 . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 62.3 ttp180 . . . . . 0 CA--C 1.528 0.111 0 CA-C-O 120.923 0.392 . . . . 0.0 110.425 . . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 35.3 m -64.08 133.48 29.65 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.425 179.889 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . 100.01 -14.1 60.17 Favored Glycine 0 CA--C 1.526 0.746 0 N-CA-C 110.837 -0.905 . . . . 0.0 110.837 -179.807 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 43.2 t -64.93 142.39 58.45 Favored 'General case' 0 C--O 1.24 0.571 0 CA-C-O 120.917 0.389 . . . . 0.0 110.48 -179.885 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 88.5 mtm180 -99.72 122.43 42.71 Favored 'General case' 0 C--O 1.233 0.221 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.348 -179.65 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 2.1 m -145.41 163.67 11.88 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.145 179.354 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 34' ' ' GLU . . . . . 0.405 ' O ' ' CG ' ' A' ' 34' ' ' GLU . 8.3 pt-20 -111.21 127.91 55.75 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.487 178.59 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 53.2 t -65.1 132.47 30.9 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.262 0 CA-C-O 121.06 0.457 . . . . 0.0 110.281 179.898 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 96.0 mt -74.35 129.59 36.47 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.453 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.952 -179.254 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 94.09 -39.6 2.89 Favored Glycine 0 CA--C 1.52 0.385 0 N-CA-C 111.047 -0.821 . . . . 0.0 111.047 179.129 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 53.3 mtmt -155.42 -145.09 0.15 Allowed 'General case' 0 C--N 1.329 -0.324 0 N-CA-C 110.32 -0.252 . . . . 0.0 110.32 -179.799 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 39' ' ' GLY . . . . . 0.483 ' O ' ' O ' ' A' ' 40' ' ' HIS . . . 39.25 78.5 0.05 OUTLIER Glycine 0 CA--C 1.524 0.63 0 N-CA-C 111.205 -0.758 . . . . 0.0 111.205 179.787 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 40' ' ' HIS . . . . . 0.483 ' O ' ' O ' ' A' ' 39' ' ' GLY . 34.1 m80 -45.65 177.62 0.0 OUTLIER 'General case' 0 C--N 1.332 -0.17 0 CA-C-O 121.125 0.488 . . . . 0.0 110.369 179.971 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 20.9 ptt-85 -42.49 135.73 2.65 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 116.059 -0.518 . . . . 0.0 110.867 -179.355 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -164.28 171.5 39.83 Favored Glycine 0 CA--C 1.519 0.328 0 N-CA-C 110.815 -0.914 . . . . 0.0 110.815 -179.599 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 14.8 m -123.48 132.65 53.98 Favored 'General case' 0 N--CA 1.465 0.297 0 CA-C-O 120.725 0.298 . . . . 0.0 110.472 -179.554 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 77.4 t -76.31 130.07 36.58 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.318 -179.699 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -130.36 -38.79 1.35 Allowed 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.309 -0.405 . . . . 0.0 110.602 -179.911 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 46' ' ' TYR . . . . . . . . . . . . . 63.9 t80 -117.59 117.71 30.14 Favored 'General case' 0 CA--C 1.518 -0.27 0 CA-C-N 116.339 -0.392 . . . . 0.0 110.506 -179.552 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 47' ' ' VAL . . . . . . . . . . . . . 2.8 p -130.8 122.28 51.96 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.261 0 CA-C-O 121.009 0.433 . . . . 0.0 110.326 179.566 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 160.67 -175.53 37.37 Favored Glycine 0 CA--C 1.521 0.442 0 N-CA-C 110.818 -0.913 . . . . 0.0 110.818 179.303 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -98.89 117.53 33.59 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-O 120.948 0.404 . . . . 0.0 110.357 179.574 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 50' ' ' THR . . . . . 0.41 ' O ' ' O ' ' A' ' 53' ' ' ALA . 71.3 p -87.35 148.31 25.1 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.434 179.963 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 51' ' ' LEU . . . . . 0.485 ' N ' ' CD1' ' A' ' 51' ' ' LEU . 8.7 mp -69.94 -13.43 62.24 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.169 -0.468 . . . . 0.0 110.304 179.934 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 52' ' ' PHE . . . . . . . . . . . . . 90.0 t80 -70.3 -28.01 64.84 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.492 -179.79 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 53' ' ' ALA . . . . . 0.41 ' O ' ' O ' ' A' ' 50' ' ' THR . . . -151.61 153.94 35.45 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.294 -0.412 . . . . 0.0 110.506 179.966 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 54' ' ' THR . . . . . . . . . . . . . 10.4 p -81.73 169.34 17.06 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.6 -179.822 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . 87.78 -146.14 19.77 Favored Glycine 0 CA--C 1.521 0.413 0 N-CA-C 110.712 -0.955 . . . . 0.0 110.712 -179.872 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 85.5 tttt -132.55 122.28 24.57 Favored 'General case' 0 N--CA 1.464 0.257 0 CA-C-O 120.826 0.346 . . . . 0.0 110.315 -179.945 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 57' ' ' TRP . . . . . . . . . . . . . 84.8 m95 -117.23 148.06 41.97 Favored 'General case' 0 C--O 1.234 0.24 0 CA-C-N 116.301 -0.409 . . . . 0.0 110.304 179.964 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 58' ' ' VAL . . . . . 0.519 ' CG2' ' NE2' ' A' ' 91' ' ' GLN . 53.0 t -125.49 124.14 66.28 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.308 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.504 179.976 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . -87.39 114.35 4.12 Favored Glycine 0 C--O 1.238 0.354 0 N-CA-C 110.476 -1.049 . . . . 0.0 110.476 179.669 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 60' ' ' VAL . . . . . . . . . . . . . 18.2 t -112.0 134.02 55.82 Favored 'Isoleucine or valine' 0 C--O 1.233 0.191 0 CA-C-O 121.088 0.47 . . . . 0.0 110.532 -179.302 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 61' ' ' ILE . . . . . 0.541 ' N ' ' CD1' ' A' ' 61' ' ' ILE . 1.6 mp -90.56 105.26 16.15 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.254 0 CA-C-N 116.094 -0.503 . . . . 0.0 109.959 179.291 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 62' ' ' LEU . . . . . 0.568 ' N ' ' CD2' ' A' ' 62' ' ' LEU . 3.3 mm? -69.14 139.82 54.7 Favored 'General case' 0 C--N 1.32 -0.687 0 CA-C-N 116.043 -0.526 . . . . 0.0 111.283 179.491 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 97.0 m-20 -77.94 -19.08 55.26 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-N 116.05 -0.523 . . . . 0.0 110.395 179.693 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 44.0 tt0 -110.5 146.33 36.18 Favored 'General case' 0 N--CA 1.466 0.344 0 CA-C-N 116.324 -0.398 . . . . 0.0 110.313 179.86 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -48.39 101.16 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.061 -0.518 . . . . 0.0 110.625 -179.48 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 66' ' ' LYS . . . . . 0.544 ' N ' ' O ' ' A' ' 84' ' ' GLY . 0.8 OUTLIER -115.83 109.26 17.39 Favored 'General case' 0 N--CA 1.464 0.237 0 CA-C-O 121.358 0.599 . . . . 0.0 110.253 179.422 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . -43.93 104.64 0.06 OUTLIER Glycine 0 CA--C 1.521 0.422 0 C-N-CA 120.638 -0.792 . . . . 0.0 112.101 -179.215 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 68' ' ' LYS . . . . . 0.419 ' NZ ' ' O ' ' A' ' 86' ' ' GLY . 19.0 tptm -169.35 134.58 1.51 Allowed 'General case' 0 N--CA 1.447 -0.604 0 CA-C-O 120.927 0.394 . . . . 0.0 110.68 179.307 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 69' ' ' ASN . . . . . . . . . . . . . 62.6 t30 -90.88 119.85 31.42 Favored 'General case' 0 C--O 1.233 0.223 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.33 178.938 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 70' ' ' ASP . . . . . 0.539 ' OD2' ' N ' ' A' ' 81' ' ' CYS . 13.9 t70 -120.89 101.87 7.99 Favored 'General case' 0 N--CA 1.467 0.393 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.498 179.62 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . -175.22 -148.91 6.99 Favored Glycine 0 CA--C 1.524 0.598 0 N-CA-C 110.912 -0.875 . . . . 0.0 110.912 179.729 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 72' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -76.29 127.7 33.42 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.741 0.305 . . . . 0.0 110.415 -179.752 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 73' ' ' VAL . . . . . . . . . . . . . 64.2 t -119.64 128.11 75.88 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.268 0 CA-C-N 116.354 -0.385 . . . . 0.0 110.191 179.848 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 74' ' ' GLN . . . . . . . . . . . . . 97.9 mt-30 54.1 21.21 2.87 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.034 -0.53 . . . . 0.0 110.558 179.685 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . 89.58 2.06 76.7 Favored Glycine 0 CA--C 1.523 0.549 0 N-CA-C 110.809 -0.916 . . . . 0.0 110.809 179.854 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 76' ' ' ARG . . . . . . . . . . . . . 95.5 mtt-85 -96.29 115.34 27.28 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-O 121.017 0.436 . . . . 0.0 110.074 -179.851 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 88.4 tttt -104.99 92.99 4.46 Favored 'General case' 0 C--N 1.331 -0.207 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.712 -179.583 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 78' ' ' TYR . . . . . . . . . . . . . 38.8 m-85 -102.45 -35.91 8.61 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.347 -0.388 . . . . 0.0 110.373 179.235 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 79' ' ' PHE . . . . . . . . . . . . . 29.2 p90 -151.32 151.32 31.62 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.296 -0.411 . . . . 0.0 110.601 179.909 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 80' ' ' THR . . . . . . . . . . . . . 86.9 m -137.6 135.16 36.36 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.316 -0.402 . . . . 0.0 110.734 -179.818 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 81' ' ' CYS . . . . . 0.539 ' N ' ' OD2' ' A' ' 70' ' ' ASP . 18.6 t -155.64 164.28 38.82 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.264 179.42 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 82' ' ' ASP . . . . . . . . . . . . . 98.7 m-20 -66.57 141.36 57.87 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-O 121.095 0.474 . . . . 0.0 110.574 -179.923 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 17.2 pt-20 -52.14 146.43 8.97 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.06 -0.518 . . . . 0.0 110.336 179.813 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 84' ' ' GLY . . . . . 0.544 ' O ' ' N ' ' A' ' 66' ' ' LYS . . . 101.52 -13.87 58.05 Favored Glycine 0 CA--C 1.522 0.516 0 N-CA-C 110.579 -1.008 . . . . 0.0 110.579 179.981 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 85' ' ' HIS . . . . . 0.556 ' CD2' ' O ' ' A' ' 62' ' ' LEU . 3.7 m80 -138.59 160.3 39.94 Favored 'General case' 0 C--N 1.329 -0.289 0 O-C-N 122.503 -0.41 . . . . 0.0 110.265 -179.801 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 86' ' ' GLY . . . . . 0.419 ' O ' ' NZ ' ' A' ' 68' ' ' LYS . . . 104.64 45.9 1.36 Allowed Glycine 0 CA--C 1.521 0.432 0 N-CA-C 110.875 -0.89 . . . . 0.0 110.875 179.454 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 87' ' ' ILE . . . . . . . . . . . . . 79.4 mt -80.67 153.71 4.35 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.37 0 CA-C-O 121.056 0.455 . . . . 0.0 110.398 179.602 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 88' ' ' PHE . . . . . 0.501 ' CD2' ' O ' ' A' ' 88' ' ' PHE . 54.6 p90 -101.58 126.36 48.39 Favored 'General case' 0 C--O 1.232 0.177 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.301 179.415 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 89' ' ' VAL . . . . . . . . . . . . . 26.9 m -133.61 159.5 42.63 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.256 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.451 179.886 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 90' ' ' ARG . . . . . . . . . . . . . 86.1 mtm180 -87.33 167.89 13.65 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.588 -179.802 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 91' ' ' GLN . . . . . 0.519 ' NE2' ' CG2' ' A' ' 58' ' ' VAL . 95.0 mm-40 -62.11 -43.85 97.93 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.48 -179.696 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 57.9 m -59.46 -35.25 73.72 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.642 179.977 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 93' ' ' GLN . . . . . . . . . . . . . 15.8 mm100 -68.43 -51.73 40.49 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.867 -179.322 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 94' ' ' ILE . . . . . 0.433 ' O ' ' O ' ' A' ' 91' ' ' GLN . 20.3 tt -90.84 133.28 33.09 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 116.266 -0.425 . . . . 0.0 110.728 -179.591 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 95' ' ' GLN . . . . . . . . . . . . . 57.9 tt0 -138.26 154.2 49.06 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 116.24 -0.437 . . . . 0.0 110.429 179.806 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 96' ' ' VAL . . . . . . . . . . . . . 13.0 m -77.53 142.42 14.23 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.352 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.644 -179.86 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 97' ' ' PHE . . . . . . . . . . . . . 55.6 p90 . . . . . 0 C--O 1.22 -0.453 0 CA-C-O 118.003 -0.999 . . . . 0.0 110.64 -179.841 . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 78.8 mtp85 . . . . . 0 C--O 1.232 0.136 0 CA-C-O 120.847 0.356 . . . . 0.0 110.723 . . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 19.1 m -64.3 129.94 28.76 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-O 121.111 0.481 . . . . 0.0 110.32 179.874 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . 101.64 -14.55 57.68 Favored Glycine 0 CA--C 1.526 0.769 0 N-CA-C 110.875 -0.89 . . . . 0.0 110.875 -179.81 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 35.4 t -67.41 140.93 57.18 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-O 121.068 0.461 . . . . 0.0 110.559 179.942 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 99.9 mtt180 -101.38 124.89 47.79 Favored 'General case' 0 C--O 1.233 0.197 0 CA-C-O 121.03 0.443 . . . . 0.0 110.477 179.982 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 2.5 m -144.68 170.51 7.37 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.41 179.586 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 34' ' ' GLU . . . . . 0.422 ' O ' ' CG ' ' A' ' 34' ' ' GLU . 8.1 pt-20 -121.32 126.51 49.67 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.349 -0.387 . . . . 0.0 110.578 178.85 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 4.6 t -60.63 135.25 25.56 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.414 0 CA-C-N 116.295 -0.411 . . . . 0.0 110.315 179.939 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 96.6 mt -72.33 128.04 34.87 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.425 0 CA-C-N 116.143 -0.48 . . . . 0.0 111.035 -179.095 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 94.73 -42.25 2.44 Favored Glycine 0 C--N 1.33 0.237 0 N-CA-C 111.252 -0.739 . . . . 0.0 111.252 179.3 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 38' ' ' LYS . . . . . 0.406 ' O ' ' C ' ' A' ' 39' ' ' GLY . 97.3 mttt -154.67 -137.97 0.07 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.567 0.222 . . . . 0.0 110.718 179.822 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 39' ' ' GLY . . . . . 0.489 ' O ' ' O ' ' A' ' 40' ' ' HIS . . . 38.72 80.97 0.02 OUTLIER Glycine 0 CA--C 1.524 0.601 0 N-CA-C 111.11 -0.796 . . . . 0.0 111.11 179.66 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 40' ' ' HIS . . . . . 0.607 ' CE1' ' HZ2' ' A' ' 66' ' ' LYS . 62.6 m80 -45.8 176.46 0.0 OUTLIER 'General case' 0 C--N 1.328 -0.347 0 CA-C-O 120.935 0.397 . . . . 0.0 110.39 -179.588 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 99.9 mtt180 -44.05 146.36 0.63 Allowed 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 116.266 -0.424 . . . . 0.0 110.767 -179.419 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -167.05 160.86 34.67 Favored Glycine 0 CA--C 1.52 0.394 0 N-CA-C 110.832 -0.907 . . . . 0.0 110.832 -179.901 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 5.2 m -113.36 133.34 55.2 Favored 'General case' 0 C--N 1.332 -0.178 0 CA-C-O 120.81 0.338 . . . . 0.0 110.612 -179.726 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 84.2 t -68.8 132.31 33.07 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.345 -179.72 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -123.59 -33.71 3.17 Favored 'General case' 0 CA--C 1.519 -0.223 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.784 -179.949 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 46' ' ' TYR . . . . . . . . . . . . . 87.5 t80 -132.64 123.41 26.33 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.322 -0.399 . . . . 0.0 110.739 -179.835 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 47' ' ' VAL . . . . . . . . . . . . . 3.4 p -127.93 121.98 57.52 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.355 179.765 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 160.41 174.64 30.47 Favored Glycine 0 CA--C 1.524 0.599 0 N-CA-C 110.862 -0.895 . . . . 0.0 110.862 179.79 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -90.94 113.75 26.06 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-O 120.931 0.396 . . . . 0.0 110.474 179.664 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 50' ' ' THR . . . . . 0.494 ' O ' ' O ' ' A' ' 53' ' ' ALA . 60.8 p -76.07 143.66 41.2 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.633 -179.898 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 68.9 mt -70.85 -17.73 62.73 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.601 -179.792 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 52' ' ' PHE . . . . . . . . . . . . . 85.1 t80 -71.12 -23.39 62.08 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.605 -179.676 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 53' ' ' ALA . . . . . 0.494 ' O ' ' O ' ' A' ' 50' ' ' THR . . . -151.35 150.68 30.78 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-N 116.229 -0.442 . . . . 0.0 110.578 -179.941 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 54' ' ' THR . . . . . 0.407 ' O ' ' NE1' ' A' ' 57' ' ' TRP . 73.1 p -78.04 167.71 21.02 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.631 179.894 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . 86.41 -172.73 45.3 Favored Glycine 0 CA--C 1.521 0.438 0 N-CA-C 110.882 -0.887 . . . . 0.0 110.882 -179.898 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 56' ' ' LYS . . . . . 0.686 ' HZ1' HE21 ' A' ' 91' ' ' GLN . 88.8 tttt -103.82 118.09 35.87 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-O 121.028 0.442 . . . . 0.0 110.693 179.853 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 57' ' ' TRP . . . . . 0.407 ' NE1' ' O ' ' A' ' 54' ' ' THR . 63.0 m95 -112.08 142.81 44.06 Favored 'General case' 0 C--O 1.234 0.238 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.455 179.817 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 58' ' ' VAL . . . . . . . . . . . . . 54.7 t -126.91 122.69 60.99 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.153 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.673 179.863 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . -84.0 111.89 3.51 Favored Glycine 0 CA--C 1.521 0.442 0 N-CA-C 110.641 -0.984 . . . . 0.0 110.641 179.71 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 60' ' ' VAL . . . . . . . . . . . . . 46.2 t -113.55 140.49 33.59 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-O 121.134 0.493 . . . . 0.0 110.917 -179.629 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 61' ' ' ILE . . . . . 0.511 ' CD1' ' N ' ' A' ' 61' ' ' ILE . 1.7 mp -98.12 111.82 28.75 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.317 0 CA-C-N 116.112 -0.495 . . . . 0.0 109.733 179.156 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 62' ' ' LEU . . . . . 0.732 ' H ' ' CD2' ' A' ' 62' ' ' LEU . 0.2 OUTLIER -80.65 141.33 35.04 Favored 'General case' 0 C--N 1.324 -0.531 0 CA-C-N 116.258 -0.428 . . . . 0.0 111.319 -179.497 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 32.4 t70 -64.65 -39.11 93.12 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.443 179.85 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 79.5 mm-40 -83.56 160.15 21.5 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.492 179.813 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -68.61 97.55 0.8 Allowed 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.784 -179.942 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 66' ' ' LYS . . . . . 0.607 ' HZ2' ' CE1' ' A' ' 40' ' ' HIS . 67.2 mmtt -109.77 109.25 19.87 Favored 'General case' 0 N--CA 1.465 0.287 0 CA-C-O 121.154 0.502 . . . . 0.0 110.328 179.6 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . -44.03 110.12 0.32 Allowed Glycine 0 N--CA 1.452 -0.245 0 C-N-CA 120.674 -0.774 . . . . 0.0 111.943 -179.254 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 68' ' ' LYS . . . . . 0.44 ' H ' ' HA2' ' A' ' 84' ' ' GLY . 50.1 tptt -168.82 128.19 1.11 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.739 0.304 . . . . 0.0 110.274 179.821 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 69' ' ' ASN . . . . . . . . . . . . . 98.3 m-20 -89.54 121.62 31.92 Favored 'General case' 0 CA--C 1.516 -0.354 0 CA-C-N 116.254 -0.43 . . . . 0.0 111.118 179.826 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 70' ' ' ASP . . . . . 0.526 ' OD2' ' N ' ' A' ' 81' ' ' CYS . 8.0 t70 -122.69 104.32 9.24 Favored 'General case' 0 C--O 1.233 0.195 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.403 179.66 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . 175.05 -162.12 31.74 Favored Glycine 0 CA--C 1.524 0.651 0 N-CA-C 110.904 -0.878 . . . . 0.0 110.904 179.76 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 72' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -55.29 121.84 9.78 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-O 121.024 0.44 . . . . 0.0 110.341 -179.861 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 73' ' ' VAL . . . . . . . . . . . . . 8.5 p -127.94 134.03 66.08 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.191 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.689 -179.779 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 74' ' ' GLN . . . . . . . . . . . . . 87.1 mm-40 53.52 25.8 5.08 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.5 -179.873 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . 80.27 13.87 81.21 Favored Glycine 0 CA--C 1.52 0.353 0 N-CA-C 110.932 -0.867 . . . . 0.0 110.932 179.992 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 76' ' ' ARG . . . . . . . . . . . . . 62.7 ttm-85 -112.86 115.19 28.06 Favored 'General case' 0 C--O 1.233 0.212 0 CA-C-O 121.05 0.452 . . . . 0.0 110.32 -179.804 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 61.3 tttp -106.58 90.12 3.24 Favored 'General case' 0 C--O 1.234 0.242 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.677 179.827 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 78' ' ' TYR . . . . . . . . . . . . . 2.7 m-85 -107.98 -32.67 7.47 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.353 -0.385 . . . . 0.0 110.615 179.701 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 79' ' ' PHE . . . . . . . . . . . . . 35.5 p90 -149.15 148.51 29.73 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.667 -179.542 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 80' ' ' THR . . . . . . . . . . . . . 91.7 m -147.56 136.34 21.99 Favored 'General case' 0 CA--C 1.519 -0.223 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.55 179.928 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 81' ' ' CYS . . . . . 0.526 ' N ' ' OD2' ' A' ' 70' ' ' ASP . 32.5 t -147.1 174.47 11.53 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.434 179.76 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 82' ' ' ASP . . . . . 0.49 ' N ' ' SG ' ' A' ' 81' ' ' CYS . 93.2 m-20 -61.0 140.42 57.83 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.698 -180.0 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 85.4 tt0 -52.65 141.07 21.7 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.235 179.763 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 84' ' ' GLY . . . . . 0.458 ' C ' ' O ' ' A' ' 66' ' ' LYS . . . 85.85 21.49 52.95 Favored Glycine 0 CA--C 1.526 0.725 0 N-CA-C 110.542 -1.023 . . . . 0.0 110.542 -179.615 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 85' ' ' HIS . . . . . 0.435 ' CE1' ' O ' ' A' ' 62' ' ' LEU . 90.7 m-70 -148.11 168.69 21.76 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-O 120.831 0.348 . . . . 0.0 110.626 179.914 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 86' ' ' GLY . . . . . . . . . . . . . . . 91.22 37.91 6.12 Favored Glycine 0 CA--C 1.52 0.374 0 N-CA-C 111.205 -0.758 . . . . 0.0 111.205 179.678 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 87' ' ' ILE . . . . . . . . . . . . . 2.7 mm -68.24 136.17 27.0 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-O 120.905 0.383 . . . . 0.0 110.385 179.885 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 88' ' ' PHE . . . . . 0.527 ' O ' ' CD1' ' A' ' 88' ' ' PHE . 50.1 p90 -90.49 129.83 36.61 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.044 -0.525 . . . . 0.0 110.873 -179.945 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 89' ' ' VAL . . . . . . . . . . . . . 2.8 m -137.17 161.22 35.46 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.175 0 CA-C-N 116.123 -0.489 . . . . 0.0 110.571 179.908 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 90' ' ' ARG . . . . . . . . . . . . . 84.1 mtp180 -97.18 173.16 7.38 Favored 'General case' 0 C--N 1.331 -0.213 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.638 179.849 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 91' ' ' GLN . . . . . 0.686 HE21 ' HZ1' ' A' ' 56' ' ' LYS . 98.2 mt-30 -64.63 -32.35 73.98 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.663 -179.872 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 71.1 m -60.78 -43.87 97.52 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.603 -179.866 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 93' ' ' GLN . . . . . . . . . . . . . 72.2 mm-40 -71.8 -41.45 68.25 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.565 -179.986 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 94' ' ' ILE . . . . . 0.441 ' O ' ' O ' ' A' ' 91' ' ' GLN . 4.7 mm -87.86 120.76 37.44 Favored 'Isoleucine or valine' 0 CA--C 1.518 -0.26 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.653 -179.935 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 95' ' ' GLN . . . . . . . . . . . . . 54.4 tt0 -130.42 127.59 39.61 Favored 'General case' 0 C--N 1.331 -0.207 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.574 -179.797 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 96' ' ' VAL . . . . . . . . . . . . . 23.1 m -74.07 133.45 31.58 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.619 -179.879 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 97' ' ' PHE . . . . . . . . . . . . . 91.3 m-85 . . . . . 0 C--O 1.218 -0.554 0 CA-C-O 118.049 -0.977 . . . . 0.0 110.546 179.972 . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 95.9 mtt-85 . . . . . 0 C--O 1.233 0.186 0 CA-C-O 121.035 0.445 . . . . 0.0 110.773 . . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 35.8 m -65.96 134.53 29.69 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.393 0 CA-C-N 115.99 -0.55 . . . . 0.0 110.274 179.971 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . 95.31 -14.39 65.18 Favored Glycine 0 CA--C 1.524 0.632 0 N-CA-C 110.759 -0.937 . . . . 0.0 110.759 -179.791 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 46.7 t -67.31 141.24 57.24 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 120.705 0.288 . . . . 0.0 110.401 179.835 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 32' ' ' ARG . . . . . 0.441 HH12 ' NH1' ' A' ' 41' ' ' ARG . 69.1 ttp85 -106.64 123.62 48.39 Favored 'General case' 0 N--CA 1.464 0.253 0 CA-C-O 120.865 0.364 . . . . 0.0 110.444 179.85 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 2.8 m -145.86 165.74 9.67 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.232 0 CA-C-N 115.988 -0.551 . . . . 0.0 110.354 179.781 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 34' ' ' GLU . . . . . 0.435 ' O ' ' CG ' ' A' ' 34' ' ' GLU . 8.4 pt-20 -113.27 126.14 55.08 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.177 179.174 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 35' ' ' VAL . . . . . 0.403 ' O ' ' O ' ' A' ' 38' ' ' LYS . 15.0 t -65.23 133.81 30.18 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 N-CA-C 109.93 -0.396 . . . . 0.0 109.93 -179.975 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 25.4 mm -74.84 132.22 33.7 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.51 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.888 -179.243 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 93.31 -36.58 3.67 Favored Glycine 0 CA--C 1.525 0.674 0 N-CA-C 111.049 -0.82 . . . . 0.0 111.049 179.554 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 38' ' ' LYS . . . . . 0.403 ' O ' ' O ' ' A' ' 35' ' ' VAL . 59.9 pttt -161.28 -142.97 0.09 Allowed 'General case' 0 C--N 1.328 -0.352 0 N-CA-C 110.228 -0.286 . . . . 0.0 110.228 179.991 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 39' ' ' GLY . . . . . 0.463 ' O ' ' O ' ' A' ' 40' ' ' HIS . . . 37.65 78.39 0.05 OUTLIER Glycine 0 CA--C 1.524 0.631 0 N-CA-C 111.279 -0.729 . . . . 0.0 111.279 179.739 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 40' ' ' HIS . . . . . 0.537 ' CE1' ' NZ ' ' A' ' 66' ' ' LYS . 57.1 m170 -45.57 175.84 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.893 0.378 . . . . 0.0 110.6 -179.797 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 41' ' ' ARG . . . . . 0.441 ' NH1' HH12 ' A' ' 32' ' ' ARG . 90.9 mtt-85 -44.91 144.84 1.07 Allowed 'General case' 0 C--N 1.326 -0.418 0 CA-C-N 116.331 -0.395 . . . . 0.0 110.747 -179.675 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -167.83 170.84 42.06 Favored Glycine 0 CA--C 1.523 0.543 0 N-CA-C 110.764 -0.934 . . . . 0.0 110.764 -179.708 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 58.5 m -121.81 131.74 54.22 Favored 'General case' 0 N--CA 1.465 0.322 0 CA-C-O 120.921 0.391 . . . . 0.0 110.531 -179.69 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 90.4 t -68.5 132.58 32.76 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.251 0 CA-C-N 116.038 -0.528 . . . . 0.0 110.204 -179.723 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -124.8 -46.17 1.86 Allowed 'General case' 0 N--CA 1.463 0.188 0 CA-C-N 116.359 -0.382 . . . . 0.0 110.439 -179.768 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 46' ' ' TYR . . . . . . . . . . . . . 74.4 t80 -117.19 120.04 37.05 Favored 'General case' 0 N--CA 1.467 0.411 0 CA-C-N 116.385 -0.37 . . . . 0.0 110.285 179.875 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 47' ' ' VAL . . . . . . . . . . . . . 2.7 p -132.71 123.35 48.91 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.205 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.444 179.925 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 160.51 -179.78 35.8 Favored Glycine 0 CA--C 1.521 0.461 0 N-CA-C 110.682 -0.967 . . . . 0.0 110.682 179.439 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -99.56 112.81 24.97 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.808 0.337 . . . . 0.0 110.33 179.463 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 50' ' ' THR . . . . . 0.408 ' O ' ' O ' ' A' ' 53' ' ' ALA . 76.6 p -78.7 145.87 34.28 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.091 -0.504 . . . . 0.0 110.485 179.85 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 51' ' ' LEU . . . . . 0.513 ' CD2' ' N ' ' A' ' 51' ' ' LEU . 3.9 mm? -67.23 -15.09 63.49 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.471 -179.885 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 52' ' ' PHE . . . . . . . . . . . . . 80.8 t80 -69.93 -29.46 66.63 Favored 'General case' 0 C--N 1.325 -0.496 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.404 -180.0 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 53' ' ' ALA . . . . . 0.408 ' O ' ' O ' ' A' ' 50' ' ' THR . . . -151.48 145.79 25.45 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-O 120.851 0.358 . . . . 0.0 110.419 179.759 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 54' ' ' THR . . . . . . . . . . . . . 32.5 m -80.63 160.53 25.04 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.364 -179.889 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . 106.5 -138.58 14.47 Favored Glycine 0 N--CA 1.463 0.461 0 N-CA-C 110.604 -0.998 . . . . 0.0 110.604 179.939 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 88.6 tttt -136.56 119.02 15.8 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.785 0.326 . . . . 0.0 110.388 -179.946 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 57' ' ' TRP . . . . . . . . . . . . . 20.5 m95 -112.86 132.42 55.3 Favored 'General case' 0 N--CA 1.464 0.241 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.124 179.708 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 58' ' ' VAL . . . . . . . . . . . . . 59.0 t -124.95 125.54 69.78 Favored 'Isoleucine or valine' 0 N--CA 1.462 0.154 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.447 179.888 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . -98.23 113.17 4.65 Favored Glycine 0 CA--C 1.52 0.399 0 N-CA-C 110.093 -1.203 . . . . 0.0 110.093 179.569 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 60' ' ' VAL . . . . . . . . . . . . . 20.5 t -111.12 130.91 63.73 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.282 0 CA-C-O 121.107 0.479 . . . . 0.0 110.697 -179.523 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 61' ' ' ILE . . . . . 0.537 ' N ' ' CD1' ' A' ' 61' ' ' ILE . 1.6 mp -85.03 103.46 12.21 Favored 'Isoleucine or valine' 0 CA--C 1.517 -0.292 0 CA-C-N 115.927 -0.578 . . . . 0.0 109.528 179.157 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 62' ' ' LEU . . . . . 0.543 ' O ' ' ND1' ' A' ' 85' ' ' HIS . 7.8 mt -75.08 144.78 42.77 Favored 'General case' 0 C--N 1.321 -0.651 0 CA-C-N 115.978 -0.555 . . . . 0.0 111.043 -179.323 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 63' ' ' ASP . . . . . 0.454 ' OD1' ' N ' ' A' ' 63' ' ' ASP . 29.9 p-10 -74.73 -40.86 61.03 Favored 'General case' 0 C--N 1.325 -0.493 0 CA-C-N 116.06 -0.518 . . . . 0.0 110.804 179.384 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 64' ' ' GLU . . . . . 0.431 ' N ' ' OD1' ' A' ' 63' ' ' ASP . 41.5 tp10 -79.18 149.45 31.96 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.23 179.994 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -59.23 95.87 0.03 OUTLIER 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.38 -0.373 . . . . 0.0 110.787 179.967 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 66' ' ' LYS . . . . . 0.537 ' NZ ' ' CE1' ' A' ' 40' ' ' HIS . 18.3 tptt -109.57 112.06 23.93 Favored 'General case' 0 N--CA 1.461 0.079 0 CA-C-O 121.538 0.685 . . . . 0.0 109.887 179.885 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . -45.44 105.41 0.09 OUTLIER Glycine 0 N--CA 1.445 -0.709 0 C-N-CA 120.436 -0.887 . . . . 0.0 111.945 -179.342 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 52.7 tptt -165.49 133.16 2.99 Favored 'General case' 0 C--N 1.323 -0.556 0 CA-C-N 115.388 -0.406 . . . . 0.0 110.509 179.14 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 69' ' ' ASN . . . . . . . . . . . . . 31.3 p-10 -100.48 123.61 44.93 Favored 'General case' 0 N--CA 1.464 0.253 0 CA-C-N 116.324 -0.398 . . . . 0.0 110.821 179.215 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 -121.88 103.15 8.64 Favored 'General case' 0 N--CA 1.469 0.475 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.3 179.425 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . -176.79 -150.4 8.26 Favored Glycine 0 CA--C 1.524 0.603 0 N-CA-C 110.964 -0.854 . . . . 0.0 110.964 179.684 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 72' ' ' THR . . . . . . . . . . . . . 1.7 p -77.06 125.13 28.82 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-O 120.853 0.358 . . . . 0.0 110.412 -179.679 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 73' ' ' VAL . . . . . . . . . . . . . 16.3 m -143.18 147.64 20.22 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.456 179.917 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 74' ' ' GLN . . . . . . . . . . . . . 98.9 mm-40 56.13 19.51 3.84 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.609 179.996 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . 77.03 16.88 80.36 Favored Glycine 0 CA--C 1.523 0.584 0 N-CA-C 111.026 -0.83 . . . . 0.0 111.026 179.64 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 76' ' ' ARG . . . . . . . . . . . . . 96.5 mtt-85 -128.72 134.44 48.46 Favored 'General case' 0 N--CA 1.464 0.271 0 CA-C-O 120.913 0.387 . . . . 0.0 110.054 -179.907 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 63.1 tttm -104.27 104.08 13.93 Favored 'General case' 0 C--N 1.331 -0.203 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.495 179.9 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 78' ' ' TYR . . . . . . . . . . . . . 88.1 m-85 -90.82 -52.02 5.07 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.515 179.503 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 79' ' ' PHE . . . . . . . . . . . . . 3.2 p90 -156.76 161.97 39.77 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.338 -179.976 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 80' ' ' THR . . . . . . . . . . . . . 92.9 m -127.86 129.12 46.4 Favored 'General case' 0 N--CA 1.466 0.342 0 CA-C-N 116.085 -0.507 . . . . 0.0 110.678 179.978 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 81' ' ' CYS . . . . . . . . . . . . . 10.3 m -154.09 154.99 34.61 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.005 -0.543 . . . . 0.0 110.142 179.674 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 82' ' ' ASP . . . . . . . . . . . . . 90.9 m-20 -56.2 138.18 50.58 Favored 'General case' 0 C--O 1.237 0.403 0 CA-C-O 121.296 0.569 . . . . 0.0 110.399 -179.861 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 82.1 tt0 -57.9 131.37 50.2 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 115.845 -0.616 . . . . 0.0 109.926 -179.776 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 84' ' ' GLY . . . . . 0.463 ' O ' ' O ' ' A' ' 66' ' ' LYS . . . 115.46 -8.69 20.07 Favored Glycine 0 CA--C 1.523 0.548 0 N-CA-C 110.549 -1.02 . . . . 0.0 110.549 -179.753 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 85' ' ' HIS . . . . . 0.543 ' ND1' ' O ' ' A' ' 62' ' ' LEU . 14.2 m-70 -139.81 168.28 20.19 Favored 'General case' 0 N--CA 1.463 0.224 0 CA-C-O 120.707 0.289 . . . . 0.0 110.472 -179.966 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 86' ' ' GLY . . . . . . . . . . . . . . . 95.9 44.23 3.14 Favored Glycine 0 CA--C 1.522 0.523 0 N-CA-C 111.019 -0.833 . . . . 0.0 111.019 179.786 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 87' ' ' ILE . . . . . . . . . . . . . 7.2 tp -73.18 145.44 11.74 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.421 0 CA-C-O 120.745 0.307 . . . . 0.0 110.609 -179.855 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 88' ' ' PHE . . . . . 0.538 ' CD2' ' O ' ' A' ' 88' ' ' PHE . 52.3 p90 -92.83 121.3 34.07 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-O 120.907 0.384 . . . . 0.0 110.178 179.566 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 89' ' ' VAL . . . . . . . . . . . . . 11.9 m -138.3 167.26 21.95 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.085 -0.507 . . . . 0.0 110.404 -179.775 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 90' ' ' ARG . . . . . . . . . . . . . 86.7 mtm-85 -112.74 179.1 4.07 Favored 'General case' 0 N--CA 1.465 0.301 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.28 -179.854 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 91' ' ' GLN . . . . . 0.448 ' O ' ' O ' ' A' ' 94' ' ' ILE . 87.8 mt-30 -66.26 -32.34 73.7 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.048 -0.524 . . . . 0.0 110.497 179.792 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 10.7 t -61.56 -42.21 98.5 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.6 179.866 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 93' ' ' GLN . . . . . . . . . . . . . 7.8 mm100 -69.39 -38.39 77.95 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.518 -179.701 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 94' ' ' ILE . . . . . 0.448 ' O ' ' O ' ' A' ' 91' ' ' GLN . 96.4 mt -91.61 120.96 41.59 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.498 179.721 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 95' ' ' GLN . . . . . . . . . . . . . 98.8 mm-40 -107.83 114.95 29.27 Favored 'General case' 0 N--CA 1.465 0.288 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.131 179.406 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 96' ' ' VAL . . . . . . . . . . . . . 86.2 t -70.93 133.17 32.33 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 115.862 -0.608 . . . . 0.0 110.204 -179.846 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 97' ' ' PHE . . . . . . . . . . . . . 92.7 t80 . . . . . 0 C--O 1.219 -0.517 0 CA-C-O 118.141 -0.933 . . . . 0.0 110.453 179.856 . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER . . . . . 0 N--CA 1.49 1.562 0 N-CA-C 109.128 -0.693 . . . . 0.0 109.128 . . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 28' ' ' ARG . . . . . 0.431 ' O ' ' OG ' ' A' ' 31' ' ' SER . 84.3 mtp180 -100.82 139.99 35.74 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 121.107 0.479 . . . . 0.0 110.673 179.969 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 7.5 p -66.41 134.13 30.32 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.382 0 CA-C-N 116.048 -0.524 . . . . 0.0 110.166 -179.97 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . 103.5 -17.77 49.66 Favored Glycine 0 CA--C 1.526 0.724 0 N-CA-C 110.747 -0.941 . . . . 0.0 110.747 -179.748 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 31' ' ' SER . . . . . 0.431 ' OG ' ' O ' ' A' ' 28' ' ' ARG . 26.7 p -72.31 154.32 41.02 Favored 'General case' 0 C--N 1.329 -0.283 0 N-CA-C 110.179 -0.304 . . . . 0.0 110.179 179.895 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 76.0 ttt180 -112.83 123.76 51.05 Favored 'General case' 0 N--CA 1.464 0.271 0 CA-C-O 120.9 0.381 . . . . 0.0 110.483 179.876 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 2.9 m -143.97 167.55 12.21 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 115.954 -0.566 . . . . 0.0 110.264 -179.855 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 84.6 tt0 -108.79 120.5 42.68 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.023 179.041 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 47.0 t -62.74 143.43 15.47 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.181 -179.99 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 19.2 mm -81.33 130.76 35.3 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.441 0 CA-C-N 116.105 -0.498 . . . . 0.0 111.08 -179.302 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 92.82 -38.04 3.26 Favored Glycine 0 CA--C 1.523 0.555 0 N-CA-C 111.122 -0.791 . . . . 0.0 111.122 179.628 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 38' ' ' LYS . . . . . 0.422 ' HG2' ' H ' ' A' ' 39' ' ' GLY . 44.1 tttm -161.83 -136.23 0.03 OUTLIER 'General case' 0 C--N 1.327 -0.381 0 C-N-CA 120.965 -0.294 . . . . 0.0 110.353 179.813 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 39' ' ' GLY . . . . . 0.465 ' O ' ' O ' ' A' ' 40' ' ' HIS . . . 37.77 77.67 0.06 OUTLIER Glycine 0 CA--C 1.523 0.592 0 N-CA-C 111.221 -0.752 . . . . 0.0 111.221 179.852 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 40' ' ' HIS . . . . . 0.568 ' CG ' ' H ' ' A' ' 41' ' ' ARG . 32.2 t-80 -45.59 175.56 0.0 OUTLIER 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 120.888 0.375 . . . . 0.0 110.5 -179.685 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 41' ' ' ARG . . . . . 0.568 ' H ' ' CG ' ' A' ' 40' ' ' HIS . 84.4 mtp180 -46.15 140.5 3.89 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.677 -179.74 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -165.92 168.9 39.95 Favored Glycine 0 CA--C 1.522 0.513 0 N-CA-C 110.69 -0.964 . . . . 0.0 110.69 179.981 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 89.9 m -119.34 131.44 55.71 Favored 'General case' 0 N--CA 1.466 0.331 0 CA-C-O 120.902 0.382 . . . . 0.0 110.623 -179.808 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 95.8 t -65.97 129.92 30.77 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.02 -0.536 . . . . 0.0 109.826 -179.925 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -112.19 -41.77 3.87 Favored 'General case' 0 N--CA 1.465 0.292 0 CA-C-N 116.288 -0.415 . . . . 0.0 110.707 -179.747 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 46' ' ' TYR . . . . . . . . . . . . . 88.4 t80 -136.8 129.78 30.89 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.394 -0.366 . . . . 0.0 110.797 -179.786 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 47' ' ' VAL . . . . . . . . . . . . . 1.6 p -129.64 124.92 60.32 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.234 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.442 179.669 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 160.96 -168.4 36.29 Favored Glycine 0 CA--C 1.519 0.333 0 N-CA-C 110.566 -1.014 . . . . 0.0 110.566 179.48 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -114.3 114.17 25.57 Favored 'General case' 0 N--CA 1.464 0.235 0 CA-C-O 120.872 0.368 . . . . 0.0 110.211 179.575 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 50' ' ' THR . . . . . 0.464 ' O ' ' O ' ' A' ' 53' ' ' ALA . 45.4 p -82.25 146.06 29.68 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.52 -179.956 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 63.4 mt -66.24 -22.0 66.31 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.55 179.962 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 52' ' ' PHE . . . . . . . . . . . . . 68.7 t80 -69.09 -28.67 66.71 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-N 116.136 -0.483 . . . . 0.0 110.723 -179.652 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 53' ' ' ALA . . . . . 0.464 ' O ' ' O ' ' A' ' 50' ' ' THR . . . -137.15 139.26 41.04 Favored 'General case' 0 N--CA 1.465 0.278 0 CA-C-O 120.96 0.409 . . . . 0.0 110.559 179.946 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 54' ' ' THR . . . . . 0.47 ' CG2' ' N ' ' A' ' 55' ' ' GLY . 43.3 m -79.36 161.1 26.42 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.661 -179.745 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 55' ' ' GLY . . . . . 0.47 ' N ' ' CG2' ' A' ' 54' ' ' THR . . . 86.35 -161.2 33.88 Favored Glycine 0 CA--C 1.52 0.374 0 N-CA-C 110.629 -0.988 . . . . 0.0 110.629 179.909 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 64.9 tttp -110.16 135.55 50.77 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-O 120.719 0.295 . . . . 0.0 110.427 179.882 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 57' ' ' TRP . . . . . . . . . . . . . 92.6 m95 -138.08 142.48 40.26 Favored 'General case' 0 C--O 1.234 0.277 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.177 179.998 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 58' ' ' VAL . . . . . . . . . . . . . 55.4 t -124.95 128.97 73.5 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.227 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.514 -179.943 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . -90.86 119.13 5.55 Favored Glycine 0 N--CA 1.459 0.213 0 N-CA-C 109.967 -1.253 . . . . 0.0 109.967 179.381 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 60' ' ' VAL . . . . . . . . . . . . . 39.9 t -119.73 139.13 48.07 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.234 0 CA-C-O 121.103 0.478 . . . . 0.0 110.778 -179.345 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 61' ' ' ILE . . . . . 0.447 ' N ' ' CD1' ' A' ' 61' ' ' ILE . 1.7 mp -99.49 110.08 25.91 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.236 0 N-CA-C 108.943 -0.762 . . . . 0.0 108.943 178.92 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 62' ' ' LEU . . . . . 0.675 ' H ' ' CD2' ' A' ' 62' ' ' LEU . 0.4 OUTLIER -76.11 145.31 40.1 Favored 'General case' 0 C--N 1.322 -0.598 0 CA-C-N 115.62 -0.718 . . . . 0.0 111.244 -179.621 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 58.6 t0 -64.31 -36.49 84.27 Favored 'General case' 0 N--CA 1.449 -0.498 0 CA-C-N 115.729 -0.669 . . . . 0.0 110.303 179.879 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 97.9 mt-10 -91.47 177.59 6.19 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 115.994 -0.548 . . . . 0.0 110.374 179.871 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -79.73 100.24 7.81 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.827 -179.744 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 66' ' ' LYS . . . . . 0.458 ' O ' ' O ' ' A' ' 84' ' ' GLY . 13.7 tptt -103.26 107.29 18.06 Favored 'General case' 0 N--CA 1.466 0.365 0 N-CA-C 109.662 -0.496 . . . . 0.0 109.662 179.972 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . -42.76 103.21 0.04 OUTLIER Glycine 0 C--N 1.315 -0.595 0 C-N-CA 120.449 -0.881 . . . . 0.0 112.114 -179.252 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 29.0 tptp -166.14 134.71 3.01 Favored 'General case' 0 N--CA 1.449 -0.493 0 CA-C-N 115.041 -0.579 . . . . 0.0 110.889 179.185 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 69' ' ' ASN . . . . . . . . . . . . . 58.9 t30 -91.1 119.19 31.04 Favored 'General case' 0 C--O 1.232 0.168 0 CA-C-N 116.298 -0.41 . . . . 0.0 110.4 179.013 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 70' ' ' ASP . . . . . 0.551 ' OD2' ' N ' ' A' ' 81' ' ' CYS . 10.7 t70 -122.01 103.77 9.05 Favored 'General case' 0 N--CA 1.465 0.293 0 CA-C-N 116.408 -0.36 . . . . 0.0 110.549 179.755 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . 175.33 -154.12 17.11 Favored Glycine 0 CA--C 1.523 0.573 0 N-CA-C 110.897 -0.881 . . . . 0.0 110.897 179.887 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 72' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -52.49 111.48 0.65 Allowed 'General case' 0 C--N 1.33 -0.265 0 CA-C-O 120.784 0.326 . . . . 0.0 110.228 -179.978 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 73' ' ' VAL . . . . . . . . . . . . . 13.7 p -121.14 134.3 64.97 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.237 0 CA-C-N 116.294 -0.412 . . . . 0.0 110.539 -179.795 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 74' ' ' GLN . . . . . . . . . . . . . 84.3 mm-40 55.76 19.38 3.4 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 115.974 -0.557 . . . . 0.0 110.804 -179.658 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . 85.38 0.48 88.35 Favored Glycine 0 CA--C 1.523 0.568 0 N-CA-C 111.167 -0.773 . . . . 0.0 111.167 179.753 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 76' ' ' ARG . . . . . . . . . . . . . 93.4 mtm-85 -105.64 123.13 47.41 Favored 'General case' 0 N--CA 1.463 0.203 0 CA-C-O 120.767 0.317 . . . . 0.0 110.274 179.707 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 65.1 tttm -105.29 90.3 3.38 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.253 -0.431 . . . . 0.0 110.131 179.731 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 78' ' ' TYR . . . . . . . . . . . . . 31.2 t80 -107.5 -27.4 10.43 Favored 'General case' 0 N--CA 1.465 0.307 0 CA-C-N 116.309 -0.405 . . . . 0.0 110.413 -179.905 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 79' ' ' PHE . . . . . . . . . . . . . 38.7 p90 -148.38 154.29 39.74 Favored 'General case' 0 C--N 1.331 -0.198 0 CA-C-N 116.333 -0.394 . . . . 0.0 110.646 -179.927 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 80' ' ' THR . . . . . . . . . . . . . 71.0 m -153.71 133.44 13.02 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.625 -179.916 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 81' ' ' CYS . . . . . 0.551 ' N ' ' OD2' ' A' ' 70' ' ' ASP . 8.8 t -142.41 178.21 7.74 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.341 -0.39 . . . . 0.0 110.31 -179.966 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 82' ' ' ASP . . . . . 0.511 ' O ' ' ND1' ' A' ' 85' ' ' HIS . 90.2 m-20 -66.99 142.55 57.2 Favored 'General case' 0 C--N 1.324 -0.529 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.594 -179.796 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 95.9 mt-10 -54.39 120.67 6.91 Favored 'General case' 0 CA--C 1.516 -0.357 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.13 179.945 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 84' ' ' GLY . . . . . 0.458 ' O ' ' O ' ' A' ' 66' ' ' LYS . . . 106.21 14.48 20.38 Favored Glycine 0 CA--C 1.526 0.764 0 N-CA-C 110.738 -0.945 . . . . 0.0 110.738 179.979 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 85' ' ' HIS . . . . . 0.537 ' ND1' ' N ' ' A' ' 85' ' ' HIS . 0.9 OUTLIER -136.77 169.13 18.24 Favored 'General case' 0 N--CA 1.464 0.254 0 O-C-N 122.644 -0.327 . . . . 0.0 110.671 179.992 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 86' ' ' GLY . . . . . . . . . . . . . . . 84.35 45.69 6.09 Favored Glycine 0 C--N 1.336 0.542 0 N-CA-C 111.177 -0.769 . . . . 0.0 111.177 179.69 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 87' ' ' ILE . . . . . . . . . . . . . 18.4 tt -83.36 130.34 35.94 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.345 0 CA-C-O 120.88 0.371 . . . . 0.0 110.43 -179.973 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 88' ' ' PHE . . . . . 0.412 ' CD1' ' O ' ' A' ' 88' ' ' PHE . 50.8 p90 -78.28 136.45 37.75 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.045 -0.525 . . . . 0.0 110.899 -179.588 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 89' ' ' VAL . . . . . . . . . . . . . 27.0 m -142.98 158.24 17.93 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.258 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.377 179.604 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 90' ' ' ARG . . . . . . . . . . . . . 83.8 mtp180 -84.8 158.17 20.76 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.48 179.857 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 91' ' ' GLN . . . . . . . . . . . . . 52.9 tt0 -62.05 -41.17 97.84 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.428 -179.849 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 59.5 m -68.44 -33.24 73.84 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.751 179.948 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 93' ' ' GLN . . . . . . . . . . . . . 64.5 tp60 -68.17 -40.08 82.38 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.617 -179.259 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 94' ' ' ILE . . . . . . . . . . . . . 20.2 tt -93.81 127.66 45.7 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.26 0 CA-C-N 116.44 -0.345 . . . . 0.0 110.264 179.863 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 95' ' ' GLN . . . . . . . . . . . . . 51.5 tt0 -97.28 131.54 43.89 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.31 179.951 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 96' ' ' VAL . . . . . . . . . . . . . 6.1 p -67.77 138.86 21.85 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.026 -0.534 . . . . 0.0 110.522 -179.854 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 97' ' ' PHE . . . . . . . . . . . . . 80.5 t80 . . . . . 0 C--O 1.22 -0.471 0 CA-C-O 118.118 -0.944 . . . . 0.0 110.554 -179.955 . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 57.7 tp . . . . . 0 N--CA 1.491 1.579 0 N-CA-C 109.35 -0.611 . . . . 0.0 109.35 . . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 87.4 mtm180 -136.02 153.0 51.5 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.264 -0.425 . . . . 0.0 110.663 -179.986 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 30.7 m -66.96 132.61 32.2 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.5 -179.981 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . 94.74 -9.1 71.11 Favored Glycine 0 CA--C 1.524 0.611 0 N-CA-C 110.996 -0.842 . . . . 0.0 110.996 179.956 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 35.9 m -71.88 138.97 48.59 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-O 120.916 0.388 . . . . 0.0 110.465 -179.936 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 13.7 ptm180 -97.46 125.71 42.29 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.54 -179.878 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 2.5 m -138.55 167.66 20.9 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.529 179.817 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 84.5 tt0 -108.74 114.1 27.62 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.357 179.428 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 11.1 t -61.78 146.28 12.24 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.458 -179.898 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 93.2 mt -81.04 131.5 33.76 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.956 -179.071 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 91.95 -39.8 2.99 Favored Glycine 0 CA--C 1.522 0.477 0 N-CA-C 111.231 -0.748 . . . . 0.0 111.231 179.055 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 38' ' ' LYS . . . . . 0.412 ' CG ' ' H ' ' A' ' 39' ' ' GLY . 29.0 ttmt -163.02 -132.8 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.947 0.403 . . . . 0.0 110.536 179.756 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 39' ' ' GLY . . . . . 0.436 ' O ' ' O ' ' A' ' 40' ' ' HIS . . . 38.42 75.76 0.09 OUTLIER Glycine 0 CA--C 1.526 0.723 0 N-CA-C 111.112 -0.795 . . . . 0.0 111.112 179.567 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 40' ' ' HIS . . . . . 0.436 ' O ' ' O ' ' A' ' 39' ' ' GLY . 12.3 m-70 -46.92 177.63 0.0 OUTLIER 'General case' 0 C--N 1.327 -0.385 0 CA-C-O 120.828 0.347 . . . . 0.0 110.478 179.819 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 96.2 mtt180 -44.68 139.47 2.9 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.628 -179.483 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -165.71 154.2 24.71 Favored Glycine 0 CA--C 1.523 0.537 0 N-CA-C 110.939 -0.865 . . . . 0.0 110.939 179.977 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 16.6 p -100.67 140.74 34.52 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-O 120.753 0.311 . . . . 0.0 110.551 179.767 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 96.3 t -75.06 130.62 36.01 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.319 179.726 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -123.44 -28.88 3.87 Favored 'General case' 0 C--N 1.331 -0.203 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.622 -179.923 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 46' ' ' TYR . . . . . . . . . . . . . 68.8 t80 -136.99 120.92 17.59 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.288 -0.415 . . . . 0.0 110.646 -179.936 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 47' ' ' VAL . . . . . . . . . . . . . 2.2 p -130.53 123.22 54.67 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.416 179.806 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 160.25 -165.89 35.02 Favored Glycine 0 CA--C 1.522 0.501 0 N-CA-C 110.859 -0.896 . . . . 0.0 110.859 -179.991 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -105.55 137.29 43.63 Favored 'General case' 0 C--N 1.332 -0.193 0 CA-C-O 120.867 0.365 . . . . 0.0 110.46 179.756 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 50' ' ' THR . . . . . 0.466 ' O ' ' O ' ' A' ' 53' ' ' ALA . 31.8 p -111.22 145.19 39.15 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.638 -179.925 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 51' ' ' LEU . . . . . 0.453 ' CD2' HH12 ' A' ' 76' ' ' ARG . 33.0 tp -65.67 -21.17 66.53 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.493 179.988 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 52' ' ' PHE . . . . . . . . . . . . . 90.8 t80 -67.83 -27.9 67.1 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.549 -179.035 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 53' ' ' ALA . . . . . 0.466 ' O ' ' O ' ' A' ' 50' ' ' THR . . . -151.37 145.03 24.99 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.299 -0.409 . . . . 0.0 110.644 -179.939 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 54' ' ' THR . . . . . . . . . . . . . 12.9 p -83.08 170.2 15.07 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.28 -0.418 . . . . 0.0 110.588 -179.992 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . 89.09 -155.0 24.92 Favored Glycine 0 CA--C 1.523 0.565 0 N-CA-C 110.794 -0.923 . . . . 0.0 110.794 -179.695 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 42.9 tptt -112.78 124.76 53.32 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-O 120.97 0.414 . . . . 0.0 110.445 179.895 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 57' ' ' TRP . . . . . . . . . . . . . 97.9 m95 -126.47 141.19 51.97 Favored 'General case' 0 C--O 1.234 0.261 0 CA-C-N 116.251 -0.432 . . . . 0.0 110.611 179.919 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 58' ' ' VAL . . . . . . . . . . . . . 75.1 t -128.62 130.37 68.89 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.242 0 CA-C-N 116.305 -0.407 . . . . 0.0 110.558 179.979 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . -90.85 109.94 3.75 Favored Glycine 0 CA--C 1.525 0.717 0 N-CA-C 110.479 -1.049 . . . . 0.0 110.479 179.28 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 60' ' ' VAL . . . . . . . . . . . . . 11.0 t -105.98 134.52 47.29 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.248 0 CA-C-O 120.922 0.391 . . . . 0.0 110.952 -179.218 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 61' ' ' ILE . . . . . 0.434 HG21 HD12 ' A' ' 61' ' ' ILE . 5.4 mm -91.6 94.26 4.75 Favored 'Isoleucine or valine' 0 N--CA 1.463 0.197 0 CA-C-N 116.173 -0.467 . . . . 0.0 109.992 179.457 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 62' ' ' LEU . . . . . 0.436 ' O ' ' CD2' ' A' ' 85' ' ' HIS . 5.0 mt -68.38 135.48 51.85 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.083 -0.508 . . . . 0.0 110.71 -178.947 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 63.6 t0 -62.57 -40.94 98.47 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.424 179.866 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 64' ' ' GLU . . . . . 0.55 ' CD ' ' H ' ' A' ' 64' ' ' GLU . 0.9 OUTLIER -82.73 143.69 30.72 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.365 179.594 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -57.85 94.75 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.082 -0.508 . . . . 0.0 110.78 -179.628 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 66' ' ' LYS . . . . . 0.548 ' N ' ' O ' ' A' ' 84' ' ' GLY . 4.9 tptp -101.62 115.18 29.94 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 116.27 -0.423 . . . . 0.0 109.937 179.72 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . -44.29 105.51 0.08 OUTLIER Glycine 0 CA--C 1.519 0.296 0 C-N-CA 120.747 -0.74 . . . . 0.0 111.664 -178.483 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 6.1 tmtt? -171.54 129.52 0.68 Allowed 'General case' 0 C--N 1.331 -0.232 0 C-N-CA 121.064 -0.255 . . . . 0.0 110.508 179.639 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 69' ' ' ASN . . . . . . . . . . . . . 99.0 m-20 -85.11 120.54 26.72 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-O 120.988 0.423 . . . . 0.0 110.578 179.761 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 70' ' ' ASP . . . . . 0.499 ' OD1' ' N ' ' A' ' 81' ' ' CYS . 8.4 t70 -120.64 103.04 8.82 Favored 'General case' 0 C--N 1.332 -0.174 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.496 179.889 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . 179.71 -149.23 8.49 Favored Glycine 0 CA--C 1.526 0.721 0 N-CA-C 110.876 -0.89 . . . . 0.0 110.876 -179.757 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 72' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -63.53 125.88 25.68 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.806 0.336 . . . . 0.0 110.544 -179.636 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 73' ' ' VAL . . . . . . . . . . . . . 51.9 t -120.9 132.06 71.36 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.244 0 CA-C-N 116.297 -0.411 . . . . 0.0 110.407 -179.963 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 74' ' ' GLN . . . . . . . . . . . . . 97.3 mm-40 55.25 22.85 5.02 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.541 -179.905 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . 86.78 -0.41 86.48 Favored Glycine 0 CA--C 1.522 0.481 0 N-CA-C 110.956 -0.858 . . . . 0.0 110.956 179.9 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 76' ' ' ARG . . . . . 0.453 HH12 ' CD2' ' A' ' 51' ' ' LEU . 99.8 mtt180 -102.05 124.35 47.51 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-O 120.886 0.374 . . . . 0.0 110.503 -179.788 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 77.9 tttt -105.88 116.18 31.5 Favored 'General case' 0 C--N 1.331 -0.204 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.731 -179.813 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 78' ' ' TYR . . . . . . . . . . . . . 53.0 m-85 -122.3 -34.16 3.34 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.297 -0.411 . . . . 0.0 110.563 179.768 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 79' ' ' PHE . . . . . . . . . . . . . 8.2 p90 -154.1 152.73 30.78 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.586 179.956 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 80' ' ' THR . . . . . . . . . . . . . 91.9 m -136.73 132.84 35.39 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.771 -179.785 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 81' ' ' CYS . . . . . 0.499 ' N ' ' OD1' ' A' ' 70' ' ' ASP . 8.5 m -146.22 153.31 40.47 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.4 179.679 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 82' ' ' ASP . . . . . . . . . . . . . 96.9 m-20 -55.14 141.34 35.2 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.276 -0.42 . . . . 0.0 110.558 -179.535 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 97.5 mt-10 -52.32 139.32 24.62 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.524 179.875 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 84' ' ' GLY . . . . . 0.548 ' O ' ' N ' ' A' ' 66' ' ' LYS . . . 104.38 -14.05 51.13 Favored Glycine 0 CA--C 1.524 0.642 0 N-CA-C 110.866 -0.894 . . . . 0.0 110.866 -179.483 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 85' ' ' HIS . . . . . 0.754 ' ND1' ' N ' ' A' ' 85' ' ' HIS . 0.0 OUTLIER -124.68 166.66 15.74 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-O 120.841 0.353 . . . . 0.0 110.361 179.989 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 86' ' ' GLY . . . . . . . . . . . . . . . 84.53 69.21 1.37 Allowed Glycine 0 CA--C 1.52 0.384 0 N-CA-C 111.146 -0.782 . . . . 0.0 111.146 179.562 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 87' ' ' ILE . . . . . . . . . . . . . 12.5 tt -109.8 134.34 52.23 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-O 120.821 0.344 . . . . 0.0 110.562 179.939 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 88' ' ' PHE . . . . . . . . . . . . . 42.3 m-85 -80.55 134.45 35.93 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.52 -179.68 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 89' ' ' VAL . . . . . . . . . . . . . 35.6 m -135.88 158.88 39.46 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.202 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.445 179.997 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 90' ' ' ARG . . . . . . . . . . . . . 89.9 mtm180 -86.22 171.01 11.6 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.601 -179.958 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 91' ' ' GLN . . . . . . . . . . . . . 58.1 tt0 -64.14 -40.57 96.45 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.742 -179.758 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 78.1 p -68.77 -32.27 71.9 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.957 -179.595 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 93' ' ' GLN . . . . . . . . . . . . . 97.3 mt-30 -69.61 -43.13 73.37 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.062 -0.517 . . . . 0.0 110.955 -179.313 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 94' ' ' ILE . . . . . . . . . . . . . 20.5 tt -89.98 136.45 23.75 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.266 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.656 -179.819 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 95' ' ' GLN . . . . . . . . . . . . . 2.8 pt20 -135.84 155.48 50.26 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.518 179.725 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 96' ' ' VAL . . . . . . . . . . . . . 26.5 m -85.03 128.44 38.99 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.411 179.871 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 97' ' ' PHE . . . . . . . . . . . . . 48.5 p90 . . . . . 0 C--O 1.22 -0.456 0 CA-C-O 117.909 -1.043 . . . . 0.0 110.633 -179.803 . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 55.7 tp . . . . . 0 N--CA 1.488 1.432 0 N-CA-C 109.159 -0.682 . . . . 0.0 109.159 . . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 99.6 mtt180 -134.17 153.79 51.62 Favored 'General case' 0 N--CA 1.464 0.261 0 CA-C-O 121.143 0.497 . . . . 0.0 110.861 179.85 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 21.3 m -67.05 135.57 28.32 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.017 -0.538 . . . . 0.0 110.263 179.96 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . 91.55 -10.08 75.58 Favored Glycine 0 CA--C 1.526 0.719 0 N-CA-C 110.707 -0.957 . . . . 0.0 110.707 -179.767 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 13.4 p -74.8 154.77 38.16 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-O 120.769 0.319 . . . . 0.0 110.253 179.803 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 98.2 mtt180 -107.75 126.54 52.74 Favored 'General case' 0 N--CA 1.466 0.333 0 CA-C-N 116.378 -0.373 . . . . 0.0 110.308 -179.904 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 1.5 m -146.23 -172.78 0.39 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.051 -179.958 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 11.8 pt-20 -133.16 136.75 45.92 Favored 'General case' 0 N--CA 1.464 0.257 0 CA-C-N 116.039 -0.528 . . . . 0.0 110.258 179.24 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 35' ' ' VAL . . . . . 0.454 ' O ' ' O ' ' A' ' 38' ' ' LYS . 5.3 t -72.79 127.39 34.74 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.427 0 CA-C-O 121.41 0.624 . . . . 0.0 110.073 -179.763 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 95.8 mt -64.0 126.77 23.33 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.689 0 CA-C-N 115.963 -0.562 . . . . 0.0 111.013 -179.397 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 97.32 -36.91 3.66 Favored Glycine 0 CA--C 1.524 0.595 0 N-CA-C 111.252 -0.739 . . . . 0.0 111.252 179.439 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 38' ' ' LYS . . . . . 0.454 ' O ' ' O ' ' A' ' 35' ' ' VAL . 71.8 tttt -163.07 -135.33 0.03 OUTLIER 'General case' 0 C--N 1.331 -0.205 0 C-N-CA 120.664 -0.414 . . . . 0.0 110.267 179.919 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 39' ' ' GLY . . . . . 0.483 ' O ' ' O ' ' A' ' 40' ' ' HIS . . . 37.61 80.73 0.02 OUTLIER Glycine 0 CA--C 1.522 0.509 0 N-CA-C 111.082 -0.807 . . . . 0.0 111.082 179.577 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 40' ' ' HIS . . . . . 0.483 ' O ' ' O ' ' A' ' 39' ' ' GLY . 73.2 m80 -44.45 174.72 0.0 OUTLIER 'General case' 0 C--N 1.328 -0.352 0 CA-C-O 121.061 0.458 . . . . 0.0 110.643 -179.262 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 99.9 mtt180 -45.72 149.82 0.58 Allowed 'General case' 0 C--N 1.325 -0.471 0 CA-C-N 116.268 -0.424 . . . . 0.0 110.859 -179.246 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -168.25 176.19 42.77 Favored Glycine 0 CA--C 1.522 0.521 0 N-CA-C 110.857 -0.897 . . . . 0.0 110.857 -179.746 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 27.7 m -123.65 132.84 53.95 Favored 'General case' 0 N--CA 1.465 0.282 0 CA-C-O 120.853 0.358 . . . . 0.0 110.717 -179.427 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 95.5 t -72.34 132.47 33.34 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.073 -0.512 . . . . 0.0 110.071 179.996 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -127.78 -50.43 1.36 Allowed 'General case' 0 N--CA 1.465 0.285 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.753 -179.998 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 46' ' ' TYR . . . . . . . . . . . . . 70.3 t80 -111.86 127.66 55.9 Favored 'General case' 0 N--CA 1.465 0.316 0 CA-C-N 116.402 -0.363 . . . . 0.0 110.655 -179.819 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 47' ' ' VAL . . . . . . . . . . . . . 4.7 p -132.79 123.53 49.02 Favored 'Isoleucine or valine' 0 N--CA 1.463 0.22 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.338 179.855 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 160.79 -166.99 35.72 Favored Glycine 0 CA--C 1.52 0.383 0 N-CA-C 110.633 -0.987 . . . . 0.0 110.633 179.644 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -112.15 119.19 37.55 Favored 'General case' 0 N--CA 1.463 0.218 0 CA-C-O 120.845 0.355 . . . . 0.0 110.485 179.692 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 12.1 p -92.14 152.07 20.08 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.353 179.731 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 51' ' ' LEU . . . . . 0.409 ' H ' HH22 ' A' ' 76' ' ' ARG . 74.7 mt -70.85 -13.53 62.07 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.388 -179.74 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 52' ' ' PHE . . . . . . . . . . . . . 69.9 t80 -70.56 -26.31 63.48 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.64 -179.879 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -151.43 148.32 27.95 Favored 'General case' 0 C--O 1.232 0.151 0 CA-C-N 116.391 -0.368 . . . . 0.0 110.362 -179.943 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 54' ' ' THR . . . . . . . . . . . . . 58.6 p -83.27 166.13 18.79 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.502 179.996 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . 87.25 -151.18 23.31 Favored Glycine 0 CA--C 1.523 0.532 0 N-CA-C 110.631 -0.988 . . . . 0.0 110.631 179.927 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 64.5 tttp -111.21 136.28 50.52 Favored 'General case' 0 C--N 1.331 -0.206 0 CA-C-O 120.825 0.345 . . . . 0.0 110.409 179.977 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 57' ' ' TRP . . . . . . . . . . . . . 91.3 m95 -135.96 135.62 39.71 Favored 'General case' 0 C--N 1.332 -0.164 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.079 179.972 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 58' ' ' VAL . . . . . . . . . . . . . 43.6 t -121.98 126.4 74.42 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.253 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.203 179.959 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . -86.24 107.79 3.21 Favored Glycine 0 CA--C 1.52 0.35 0 N-CA-C 110.166 -1.174 . . . . 0.0 110.166 179.773 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 60' ' ' VAL . . . . . . . . . . . . . 24.1 t -110.28 133.18 56.5 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.338 0 CA-C-O 121.105 0.479 . . . . 0.0 110.824 -179.397 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 61' ' ' ILE . . . . . 0.554 ' N ' ' CD1' ' A' ' 61' ' ' ILE . 1.6 mp -90.06 105.69 16.44 Favored 'Isoleucine or valine' 0 CA--C 1.516 -0.342 0 CA-C-N 115.972 -0.558 . . . . 0.0 109.563 179.333 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 62' ' ' LEU . . . . . 0.535 ' O ' ' ND1' ' A' ' 85' ' ' HIS . 6.8 mt -76.68 146.86 37.82 Favored 'General case' 0 C--N 1.323 -0.562 0 CA-C-N 115.933 -0.576 . . . . 0.0 110.928 -179.215 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 45.0 t0 -71.58 -43.69 65.83 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.878 179.574 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 78.1 tt0 -79.09 151.93 31.12 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 116.28 -0.418 . . . . 0.0 110.367 -179.854 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -63.52 94.09 0.08 Allowed 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.721 -179.903 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 66' ' ' LYS . . . . . 0.53 ' N ' ' O ' ' A' ' 84' ' ' GLY . 5.5 tptp -103.74 112.97 26.15 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-O 121.53 0.681 . . . . 0.0 109.985 179.653 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . -45.61 104.7 0.07 OUTLIER Glycine 0 N--CA 1.445 -0.76 0 C-N-CA 120.421 -0.895 . . . . 0.0 112.405 -179.432 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 49.2 tptt -164.09 133.51 3.91 Favored 'General case' 0 C--N 1.323 -0.568 0 CA-C-N 115.341 -0.43 . . . . 0.0 110.804 178.815 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 69' ' ' ASN . . . . . . . . . . . . . 98.3 m-20 -82.65 120.63 25.8 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.514 179.035 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 70' ' ' ASP . . . . . 0.453 ' OD2' ' O ' ' A' ' 82' ' ' ASP . 27.8 p30 -121.73 108.11 13.14 Favored 'General case' 0 N--CA 1.467 0.385 0 CA-C-N 116.09 -0.504 . . . . 0.0 110.807 179.863 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . 175.55 -151.06 11.42 Favored Glycine 0 CA--C 1.521 0.468 0 N-CA-C 110.864 -0.894 . . . . 0.0 110.864 -179.979 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 72' ' ' THR . . . . . . . . . . . . . 4.3 t -67.74 121.48 16.03 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-O 120.758 0.313 . . . . 0.0 110.213 179.836 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 73' ' ' VAL . . . . . . . . . . . . . 85.9 t -120.12 131.8 71.49 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.325 0 CA-C-O 120.982 0.42 . . . . 0.0 110.396 179.883 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 74' ' ' GLN . . . . . . . . . . . . . 2.1 tp-100 57.44 21.33 6.83 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-N 115.935 -0.575 . . . . 0.0 110.409 -179.814 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . 82.03 7.8 87.39 Favored Glycine 0 CA--C 1.524 0.618 0 N-CA-C 110.951 -0.859 . . . . 0.0 110.951 -179.973 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 76' ' ' ARG . . . . . 0.409 HH22 ' H ' ' A' ' 51' ' ' LEU . 86.5 mtm180 -105.48 120.52 41.81 Favored 'General case' 0 N--CA 1.464 0.231 0 CA-C-O 120.787 0.327 . . . . 0.0 110.152 179.785 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 88.8 tttt -105.8 121.05 43.25 Favored 'General case' 0 C--N 1.331 -0.201 0 CA-C-N 116.253 -0.431 . . . . 0.0 110.233 179.789 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 78' ' ' TYR . . . . . . . . . . . . . 38.1 m-85 -122.52 -41.71 2.37 Favored 'General case' 0 N--CA 1.468 0.437 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.479 179.879 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 79' ' ' PHE . . . . . . . . . . . . . 54.3 p90 -154.46 158.17 39.53 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.378 -179.792 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 80' ' ' THR . . . . . . . . . . . . . 97.9 m -126.38 129.48 48.85 Favored 'General case' 0 N--CA 1.465 0.309 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.531 179.863 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 81' ' ' CYS . . . . . . . . . . . . . 9.0 t -140.16 159.78 41.42 Favored 'General case' 0 N--CA 1.463 0.221 0 CA-C-N 116.039 -0.528 . . . . 0.0 110.335 179.968 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 82' ' ' ASP . . . . . 0.453 ' O ' ' OD2' ' A' ' 70' ' ' ASP . 98.3 m-20 -68.32 137.28 54.52 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.624 -179.8 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 94.8 mt-10 -51.54 138.79 21.66 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.083 179.893 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 84' ' ' GLY . . . . . 0.53 ' O ' ' N ' ' A' ' 66' ' ' LYS . . . 113.48 -7.33 24.51 Favored Glycine 0 CA--C 1.524 0.648 0 N-CA-C 110.569 -1.012 . . . . 0.0 110.569 -179.799 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 85' ' ' HIS . . . . . 0.535 ' ND1' ' O ' ' A' ' 62' ' ' LEU . 10.6 m-70 -139.36 166.45 24.52 Favored 'General case' 0 C--N 1.33 -0.253 0 O-C-N 122.539 -0.389 . . . . 0.0 110.317 -179.811 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 86' ' ' GLY . . . . . . . . . . . . . . . 101.66 42.41 2.32 Favored Glycine 0 N--CA 1.464 0.502 0 N-CA-C 110.902 -0.879 . . . . 0.0 110.902 179.865 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 87' ' ' ILE . . . . . . . . . . . . . 3.3 tp -76.66 136.22 25.08 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.403 0 CA-C-O 120.721 0.295 . . . . 0.0 110.525 -179.861 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 88' ' ' PHE . . . . . . . . . . . . . 68.9 m-85 -88.91 119.86 29.81 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.992 0.425 . . . . 0.0 110.093 179.722 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 89' ' ' VAL . . . . . . . . . . . . . 16.5 m -132.64 164.55 34.8 Favored 'Isoleucine or valine' 0 N--CA 1.463 0.198 0 CA-C-N 115.877 -0.601 . . . . 0.0 110.381 -179.89 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 90' ' ' ARG . . . . . . . . . . . . . 35.2 ptt180 -97.35 155.66 16.79 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 115.944 -0.571 . . . . 0.0 110.676 -179.846 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 91' ' ' GLN . . . . . . . . . . . . . 54.5 tt0 -58.6 -39.92 81.77 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.037 -0.529 . . . . 0.0 110.685 -179.313 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 95.9 p -55.11 -35.29 64.48 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 116.36 -0.382 . . . . 0.0 110.587 -179.86 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 93' ' ' GLN . . . . . . . . . . . . . 56.5 tt0 -78.48 -17.31 56.47 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.368 -0.378 . . . . 0.0 110.541 -179.945 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 94' ' ' ILE . . . . . . . . . . . . . 49.2 mm -100.34 130.74 49.1 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.331 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.515 179.878 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 95' ' ' GLN . . . . . . . . . . . . . 60.0 tt0 -138.1 119.57 14.89 Favored 'General case' 0 C--N 1.332 -0.191 0 CA-C-N 115.826 -0.624 . . . . 0.0 110.524 -179.883 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 96' ' ' VAL . . . . . . . . . . . . . 13.7 p -71.09 137.09 24.5 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.339 0 CA-C-N 116.051 -0.522 . . . . 0.0 110.278 179.897 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 97' ' ' PHE . . . . . . . . . . . . . 87.7 t80 . . . . . 0 C--O 1.219 -0.522 0 CA-C-O 117.971 -1.014 . . . . 0.0 110.429 -179.969 . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 N--CA 1.488 1.437 0 N-CA-C 109.594 -0.521 . . . . 0.0 109.594 . . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 60.5 ttp180 -61.92 141.8 57.79 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-N 115.914 -0.584 . . . . 0.0 110.278 -179.453 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 18.1 m -61.21 132.56 26.83 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.377 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.313 -179.635 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . 102.33 -26.59 23.68 Favored Glycine 0 CA--C 1.524 0.648 0 N-CA-C 110.884 -0.886 . . . . 0.0 110.884 -179.948 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 42.4 t -71.19 140.79 50.62 Favored 'General case' 0 C--O 1.237 0.419 0 CA-C-O 120.806 0.336 . . . . 0.0 110.539 179.885 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 47.1 ptt85 -114.08 125.55 54.1 Favored 'General case' 0 N--CA 1.465 0.31 0 CA-C-O 121.268 0.556 . . . . 0.0 110.584 -180.0 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 2.9 m -147.43 -170.01 0.23 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 115.869 -0.605 . . . . 0.0 110.103 -179.672 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 18.1 pt-20 -130.44 131.31 45.14 Favored 'General case' 0 N--CA 1.463 0.212 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.346 179.521 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 4.3 t -67.84 136.03 27.34 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 N-CA-C 109.809 -0.441 . . . . 0.0 109.809 179.831 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 95.2 mt -72.92 127.37 34.86 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.533 0 CA-C-N 116.058 -0.519 . . . . 0.0 111.051 -179.363 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 93.96 -39.33 2.94 Favored Glycine 0 CA--C 1.52 0.39 0 N-CA-C 111.28 -0.728 . . . . 0.0 111.28 179.32 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 96.5 mttt -154.31 -141.14 0.1 Allowed 'General case' 0 C--N 1.329 -0.29 0 N-CA-C 109.938 -0.393 . . . . 0.0 109.938 -179.579 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 39' ' ' GLY . . . . . 0.476 ' O ' ' O ' ' A' ' 40' ' ' HIS . . . 38.04 78.5 0.05 OUTLIER Glycine 0 CA--C 1.524 0.64 0 N-CA-C 111.538 -0.625 . . . . 0.0 111.538 -179.966 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 40' ' ' HIS . . . . . 0.651 ' CG ' ' HZ2' ' A' ' 66' ' ' LYS . 60.2 m170 -45.39 177.11 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 121.073 0.463 . . . . 0.0 110.655 179.873 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 99.8 mtt180 -48.71 142.02 6.62 Favored 'General case' 0 C--N 1.324 -0.529 0 CA-C-O 121.006 0.431 . . . . 0.0 110.838 -179.806 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -171.19 167.9 41.04 Favored Glycine 0 CA--C 1.526 0.723 0 N-CA-C 110.86 -0.896 . . . . 0.0 110.86 -179.922 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 95.7 m -117.89 134.18 55.19 Favored 'General case' 0 N--CA 1.467 0.407 0 CA-C-O 120.927 0.394 . . . . 0.0 110.553 -179.754 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 85.9 t -71.99 131.66 34.37 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.238 0 CA-C-N 115.904 -0.589 . . . . 0.0 110.203 -179.678 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -125.4 -47.65 1.72 Allowed 'General case' 0 N--CA 1.466 0.329 0 CA-C-N 116.351 -0.386 . . . . 0.0 110.59 -179.929 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 46' ' ' TYR . . . . . . . . . . . . . 74.2 t80 -115.56 120.77 40.57 Favored 'General case' 0 N--CA 1.465 0.317 0 CA-C-N 116.439 -0.346 . . . . 0.0 110.503 179.747 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 47' ' ' VAL . . . . . . . . . . . . . 8.3 p -129.4 117.72 43.66 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.279 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.331 179.809 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 161.09 -176.44 37.67 Favored Glycine 0 CA--C 1.521 0.414 0 N-CA-C 110.63 -0.988 . . . . 0.0 110.63 179.863 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -97.39 146.79 24.84 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 120.688 0.28 . . . . 0.0 110.343 179.635 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 50' ' ' THR . . . . . 0.432 ' O ' ' O ' ' A' ' 53' ' ' ALA . 60.2 p -132.22 153.47 50.58 Favored 'General case' 0 N--CA 1.464 0.263 0 CA-C-O 120.947 0.403 . . . . 0.0 110.461 -179.888 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 59.5 mt -69.45 -18.64 63.74 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 115.953 -0.567 . . . . 0.0 110.426 -179.872 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 52' ' ' PHE . . . . . . . . . . . . . 84.7 t80 -69.35 -24.0 63.84 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.697 -179.623 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 53' ' ' ALA . . . . . 0.432 ' O ' ' O ' ' A' ' 50' ' ' THR . . . -147.9 142.61 26.68 Favored 'General case' 0 C--N 1.332 -0.175 0 CA-C-N 116.366 -0.379 . . . . 0.0 110.475 179.947 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 54' ' ' THR . . . . . . . . . . . . . 11.7 m -80.54 149.3 30.02 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.548 179.934 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . 86.38 -170.72 43.03 Favored Glycine 0 CA--C 1.521 0.442 0 N-CA-C 110.665 -0.974 . . . . 0.0 110.665 179.974 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 88.7 tttt -87.16 136.65 32.85 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 120.729 0.3 . . . . 0.0 110.486 179.786 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 57' ' ' TRP . . . . . . . . . . . . . 99.3 m95 -136.03 142.89 44.48 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.285 -0.416 . . . . 0.0 110.336 179.983 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 58' ' ' VAL . . . . . . . . . . . . . 19.4 t -125.39 127.8 72.13 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.37 0 CA-C-N 116.434 -0.348 . . . . 0.0 110.428 -179.708 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . -90.87 110.59 3.83 Favored Glycine 0 CA--C 1.518 0.259 0 N-CA-C 109.883 -1.287 . . . . 0.0 109.883 179.54 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 60' ' ' VAL . . . . . . . . . . . . . 40.8 t -109.76 135.18 49.52 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.314 0 CA-C-O 121.129 0.49 . . . . 0.0 110.651 -179.098 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 61' ' ' ILE . . . . . 0.534 ' CD1' ' N ' ' A' ' 61' ' ' ILE . 1.5 mp -90.55 107.24 18.25 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.249 0 CA-C-N 115.967 -0.561 . . . . 0.0 109.733 179.445 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 62' ' ' LEU . . . . . 0.558 ' O ' ' CD2' ' A' ' 85' ' ' HIS . 3.2 mm? -74.61 138.68 43.12 Favored 'General case' 0 C--N 1.32 -0.679 0 CA-C-N 115.858 -0.61 . . . . 0.0 111.03 -179.739 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 22.6 t0 -69.49 -37.98 77.47 Favored 'General case' 0 C--N 1.324 -0.511 0 CA-C-N 115.831 -0.622 . . . . 0.0 110.27 179.493 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 64' ' ' GLU . . . . . 0.491 ' OE1' ' N ' ' A' ' 64' ' ' GLU . 55.5 mp0 -88.86 170.65 10.54 Favored 'General case' 0 CA--C 1.521 -0.165 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.409 -179.96 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -70.23 96.24 1.08 Allowed 'General case' 0 C--N 1.326 -0.426 0 CA-C-N 116.413 -0.358 . . . . 0.0 110.899 -179.745 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 66' ' ' LYS . . . . . 0.651 ' HZ2' ' CG ' ' A' ' 40' ' ' HIS . 20.6 tptt -105.62 108.86 20.59 Favored 'General case' 0 C--N 1.332 -0.161 0 CA-C-O 121.186 0.517 . . . . 0.0 110.454 -179.937 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . -47.38 103.14 0.06 OUTLIER Glycine 0 C--N 1.316 -0.55 0 C-N-CA 120.677 -0.773 . . . . 0.0 112.323 -179.774 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 6.8 mmtt -171.38 132.99 0.8 Allowed 'General case' 0 C--N 1.328 -0.337 0 CA-C-O 120.855 0.359 . . . . 0.0 110.659 178.806 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 69' ' ' ASN . . . . . . . . . . . . . 64.2 t-20 -100.26 119.91 39.11 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.315 179.093 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 70' ' ' ASP . . . . . 0.472 ' OD2' ' CD1' ' A' ' 79' ' ' PHE . 2.8 t70 -121.14 102.6 8.42 Favored 'General case' 0 N--CA 1.466 0.363 0 CA-C-O 120.981 0.42 . . . . 0.0 110.284 179.66 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . -174.36 -149.01 6.85 Favored Glycine 0 CA--C 1.524 0.625 0 N-CA-C 110.959 -0.856 . . . . 0.0 110.959 179.939 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 72' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -69.41 116.96 10.43 Favored 'General case' 0 C--N 1.329 -0.325 0 C-N-CA 120.979 -0.288 . . . . 0.0 110.381 179.955 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 73' ' ' VAL . . . . . . . . . . . . . 60.2 t -126.57 133.2 69.17 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.27 0 CA-C-O 121.126 0.489 . . . . 0.0 110.386 -179.898 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 74' ' ' GLN . . . . . 0.444 ' OE1' ' NH2' ' A' ' 76' ' ' ARG . 7.9 tt0 62.84 19.57 11.59 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-N 115.929 -0.578 . . . . 0.0 110.629 -179.997 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . 86.97 0.9 85.27 Favored Glycine 0 CA--C 1.525 0.682 0 N-CA-C 111.091 -0.803 . . . . 0.0 111.091 179.848 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 76' ' ' ARG . . . . . 0.444 ' NH2' ' OE1' ' A' ' 74' ' ' GLN . 94.3 mtm-85 -127.2 131.01 50.75 Favored 'General case' 0 N--CA 1.464 0.228 0 CA-C-O 120.921 0.391 . . . . 0.0 110.325 179.699 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 20.6 ptmt -106.18 131.6 53.24 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.028 -0.533 . . . . 0.0 110.605 179.907 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 78' ' ' TYR . . . . . . . . . . . . . 71.1 m-85 -113.94 -22.07 10.29 Favored 'General case' 0 N--CA 1.465 0.3 0 CA-C-N 116.31 -0.405 . . . . 0.0 110.157 179.773 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 79' ' ' PHE . . . . . 0.539 ' CZ ' ' CE1' ' A' ' 88' ' ' PHE . 0.1 OUTLIER -154.4 158.78 40.53 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.384 -179.835 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 80' ' ' THR . . . . . 0.469 ' CG2' ' O ' ' A' ' 80' ' ' THR . 12.1 t -128.29 119.29 24.82 Favored 'General case' 0 C--N 1.331 -0.213 0 CA-C-N 115.989 -0.551 . . . . 0.0 110.917 179.907 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 81' ' ' CYS . . . . . 0.428 ' SG ' ' O ' ' A' ' 80' ' ' THR . 6.2 m -159.85 141.85 13.14 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.031 179.104 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 82' ' ' ASP . . . . . . . . . . . . . 96.1 m-20 -59.37 143.15 50.4 Favored 'General case' 0 C--N 1.326 -0.445 0 CA-C-O 121.233 0.539 . . . . 0.0 110.662 -179.682 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 96.1 mt-10 -48.59 149.38 1.7 Allowed 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.014 -0.539 . . . . 0.0 110.089 179.767 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 84' ' ' GLY . . . . . 0.449 ' O ' ' N ' ' A' ' 66' ' ' LYS . . . 97.71 -11.49 64.6 Favored Glycine 0 CA--C 1.522 0.531 0 N-CA-C 110.442 -1.063 . . . . 0.0 110.442 -179.64 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 85' ' ' HIS . . . . . 0.558 ' CD2' ' O ' ' A' ' 62' ' ' LEU . 9.4 m80 -140.63 164.33 30.46 Favored 'General case' 0 N--CA 1.465 0.301 0 CA-C-O 120.592 0.234 . . . . 0.0 110.481 179.953 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 86' ' ' GLY . . . . . . . . . . . . . . . 91.03 64.41 1.19 Allowed Glycine 0 CA--C 1.52 0.373 0 N-CA-C 110.774 -0.93 . . . . 0.0 110.774 -179.905 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 87' ' ' ILE . . . . . . . . . . . . . 11.4 tt -102.79 138.49 26.87 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.241 0 CA-C-O 120.886 0.374 . . . . 0.0 110.525 -179.899 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 88' ' ' PHE . . . . . 0.539 ' CE1' ' CZ ' ' A' ' 79' ' ' PHE . 7.0 m-85 -84.16 124.26 30.96 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 115.995 -0.548 . . . . 0.0 110.377 -179.523 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 89' ' ' VAL . . . . . . . . . . . . . 17.6 m -132.84 158.27 43.23 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.227 0 CA-C-N 116.075 -0.511 . . . . 0.0 110.483 179.829 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 90' ' ' ARG . . . . . . . . . . . . . 94.9 mtt180 -86.13 162.45 18.38 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 115.96 -0.564 . . . . 0.0 110.312 -179.67 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 91' ' ' GLN . . . . . 0.42 ' O ' ' O ' ' A' ' 94' ' ' ILE . 56.3 tt0 -60.69 -38.67 85.77 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.45 -179.746 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 82.0 p -62.66 -35.2 78.89 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.709 -179.855 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 93' ' ' GLN . . . . . . . . . . . . . 87.7 mt-30 -69.37 -48.29 61.69 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.281 -0.418 . . . . 0.0 111.129 -179.47 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 94' ' ' ILE . . . . . 0.42 ' O ' ' O ' ' A' ' 91' ' ' GLN . 16.6 tt -91.99 134.82 29.02 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.387 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.696 -179.826 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 95' ' ' GLN . . . . . . . . . . . . . 47.2 tt0 -145.49 158.02 43.91 Favored 'General case' 0 C--N 1.331 -0.203 0 CA-C-N 116.286 -0.416 . . . . 0.0 110.196 179.946 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 96' ' ' VAL . . . . . . . . . . . . . 24.0 m -106.2 132.53 53.1 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.235 0 CA-C-N 116.276 -0.42 . . . . 0.0 110.418 -179.931 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 97' ' ' PHE . . . . . . . . . . . . . 33.9 p90 . . . . . 0 C--O 1.219 -0.52 0 CA-C-O 117.968 -1.015 . . . . 0.0 110.39 179.932 . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 2.4 pp . . . . . 0 N--CA 1.49 1.532 0 N-CA-C 109.204 -0.665 . . . . 0.0 109.204 . . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 78.2 mtp85 -136.0 145.34 46.0 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.553 179.705 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 4.9 p -65.93 132.64 31.48 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.258 0 CA-C-O 121.087 0.47 . . . . 0.0 110.434 179.845 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . 99.85 -16.03 58.94 Favored Glycine 0 CA--C 1.524 0.652 0 N-CA-C 110.855 -0.898 . . . . 0.0 110.855 179.858 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 27.8 t -73.68 145.25 45.39 Favored 'General case' 0 C--O 1.236 0.385 0 CA-C-O 121.002 0.43 . . . . 0.0 110.481 179.874 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 35.2 ptt-85 -103.23 123.96 47.73 Favored 'General case' 0 C--N 1.332 -0.16 0 CA-C-O 121.252 0.549 . . . . 0.0 110.554 179.846 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 3.0 m -146.1 163.06 10.37 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.604 179.673 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 34' ' ' GLU . . . . . 0.402 ' O ' ' CG ' ' A' ' 34' ' ' GLU . 18.6 pt-20 -106.58 126.12 51.87 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.324 -0.398 . . . . 0.0 110.501 178.979 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 35' ' ' VAL . . . . . 0.429 ' O ' ' O ' ' A' ' 38' ' ' LYS . 5.1 t -64.23 129.49 28.16 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.348 0 CA-C-O 121.045 0.45 . . . . 0.0 110.377 -179.853 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 36' ' ' ILE . . . . . 0.419 HD12 HG22 ' A' ' 36' ' ' ILE . 15.2 mm -66.1 124.9 22.17 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.407 0 CA-C-N 116.108 -0.496 . . . . 0.0 111.163 -179.3 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 98.92 -36.63 3.91 Favored Glycine 0 CA--C 1.523 0.56 0 N-CA-C 111.414 -0.674 . . . . 0.0 111.414 179.76 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 38' ' ' LYS . . . . . 0.464 ' HG2' ' H ' ' A' ' 39' ' ' GLY . 46.3 tttm -163.34 -135.1 0.03 OUTLIER 'General case' 0 C--N 1.328 -0.346 0 CA-C-O 121.068 0.461 . . . . 0.0 110.786 -179.814 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 39' ' ' GLY . . . . . 0.468 ' O ' ' O ' ' A' ' 40' ' ' HIS . . . 38.51 79.65 0.04 OUTLIER Glycine 0 CA--C 1.526 0.736 0 N-CA-C 110.812 -0.915 . . . . 0.0 110.812 179.662 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 40' ' ' HIS . . . . . 0.591 ' CG ' ' HZ3' ' A' ' 66' ' ' LYS . 0.5 OUTLIER -45.92 175.03 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.882 0.372 . . . . 0.0 110.425 -179.346 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 85.2 mtp180 -46.12 138.33 5.34 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.661 -179.702 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -167.33 170.27 41.49 Favored Glycine 0 CA--C 1.52 0.389 0 N-CA-C 110.806 -0.917 . . . . 0.0 110.806 -179.911 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 67.7 m -117.69 131.8 56.58 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-O 120.807 0.337 . . . . 0.0 110.722 -179.79 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 2.5 m -70.42 114.14 7.64 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.238 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.468 -179.669 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -90.03 -47.9 7.54 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.721 179.914 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 46' ' ' TYR . . . . . . . . . . . . . 88.1 t80 -144.23 132.94 22.37 Favored 'General case' 0 CA--C 1.519 -0.214 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.562 -179.698 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 47' ' ' VAL . . . . . . . . . . . . . 1.3 p -123.67 121.41 62.39 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.206 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.465 179.639 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 158.81 -159.33 30.18 Favored Glycine 0 CA--C 1.52 0.349 0 N-CA-C 110.658 -0.977 . . . . 0.0 110.658 179.441 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -116.62 152.59 33.9 Favored 'General case' 0 C--O 1.233 0.21 0 CA-C-O 120.966 0.412 . . . . 0.0 110.413 179.528 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 50' ' ' THR . . . . . 0.442 ' O ' ' O ' ' A' ' 53' ' ' ALA . 62.3 p -128.89 155.68 44.88 Favored 'General case' 0 C--N 1.333 -0.142 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.6 -179.877 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 64.7 mt -69.23 -19.24 63.94 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.524 -179.879 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 52' ' ' PHE . . . . . . . . . . . . . 71.7 t80 -70.81 -26.28 63.24 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.534 -179.684 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 53' ' ' ALA . . . . . 0.442 ' O ' ' O ' ' A' ' 50' ' ' THR . . . -145.36 141.61 28.64 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.443 -179.805 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 54' ' ' THR . . . . . . . . . . . . . 11.2 p -81.37 164.33 22.21 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.695 -179.785 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . 85.99 -151.01 24.46 Favored Glycine 0 CA--C 1.519 0.314 0 N-CA-C 110.915 -0.874 . . . . 0.0 110.915 179.824 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 87.4 tttt -133.58 131.9 40.22 Favored 'General case' 0 C--N 1.333 -0.152 0 CA-C-O 121.056 0.455 . . . . 0.0 110.33 179.849 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 57' ' ' TRP . . . . . . . . . . . . . 0.0 OUTLIER -141.59 159.34 42.41 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.485 179.836 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 58' ' ' VAL . . . . . . . . . . . . . 61.9 t -125.84 129.77 72.47 Favored 'Isoleucine or valine' 0 CA--C 1.521 -0.143 0 CA-C-N 116.02 -0.536 . . . . 0.0 110.931 179.586 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . -83.64 112.93 3.63 Favored Glycine 0 CA--C 1.521 0.422 0 N-CA-C 110.315 -1.114 . . . . 0.0 110.315 179.724 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 60' ' ' VAL . . . . . . . . . . . . . 40.1 t -117.37 134.22 61.64 Favored 'Isoleucine or valine' 0 C--O 1.234 0.249 0 CA-C-O 121.353 0.597 . . . . 0.0 110.93 -179.376 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 61' ' ' ILE . . . . . 0.524 ' N ' ' CD1' ' A' ' 61' ' ' ILE . 1.6 mp -95.84 109.41 22.62 Favored 'Isoleucine or valine' 0 CA--C 1.531 0.22 0 CA-C-N 115.937 -0.574 . . . . 0.0 109.901 179.416 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 62' ' ' LEU . . . . . 0.568 ' N ' ' CD2' ' A' ' 62' ' ' LEU . 3.2 mm? -73.21 134.99 44.52 Favored 'General case' 0 C--N 1.325 -0.486 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.57 179.908 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 46.9 t0 -67.44 -37.5 83.08 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.072 -0.513 . . . . 0.0 110.328 179.684 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 80.6 mm-40 -88.4 167.8 13.18 Favored 'General case' 0 C--N 1.331 -0.207 0 CA-C-N 116.246 -0.433 . . . . 0.0 110.303 179.979 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -67.48 95.56 0.47 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.866 -179.935 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 66' ' ' LYS . . . . . 0.591 ' HZ3' ' CG ' ' A' ' 40' ' ' HIS . 20.0 tptt -108.48 109.08 20.26 Favored 'General case' 0 CA--C 1.53 0.177 0 CA-C-N 116.335 -0.393 . . . . 0.0 110.123 179.746 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . -46.36 105.07 0.08 OUTLIER Glycine 0 N--CA 1.449 -0.485 0 C-N-CA 120.725 -0.75 . . . . 0.0 112.22 -179.705 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 6.1 tmtt? -167.85 132.69 1.83 Allowed 'General case' 0 C--N 1.329 -0.302 0 C-N-CA 121.185 -0.206 . . . . 0.0 110.544 179.412 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 69' ' ' ASN . . . . . . . . . . . . . 32.3 m120 -89.26 120.64 30.8 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-O 120.949 0.404 . . . . 0.0 110.806 179.677 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 50.4 t0 -122.22 102.43 8.12 Favored 'General case' 0 C--O 1.232 0.181 0 CA-C-N 116.301 -0.409 . . . . 0.0 110.697 179.776 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . -177.55 -160.8 24.84 Favored Glycine 0 CA--C 1.524 0.629 0 N-CA-C 110.897 -0.881 . . . . 0.0 110.897 179.758 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 72' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -67.28 126.72 30.13 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-O 121.008 0.432 . . . . 0.0 110.393 -179.916 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 73' ' ' VAL . . . . . . . . . . . . . 3.1 t -121.15 125.21 73.61 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.2 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.392 179.871 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 74' ' ' GLN . . . . . . . . . . . . . 45.7 tp60 53.44 29.23 8.58 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.48 179.897 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . 84.68 1.41 89.1 Favored Glycine 0 CA--C 1.521 0.438 0 N-CA-C 110.891 -0.884 . . . . 0.0 110.891 179.944 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 76' ' ' ARG . . . . . . . . . . . . . 6.4 mmp_? -95.29 114.06 25.8 Favored 'General case' 0 C--N 1.331 -0.207 0 CA-C-O 121.088 0.471 . . . . 0.0 110.364 -179.947 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 85.8 tttt -103.13 94.09 5.35 Favored 'General case' 0 CA--C 1.52 -0.203 0 CA-C-O 121.039 0.447 . . . . 0.0 110.516 -179.803 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 78' ' ' TYR . . . . . . . . . . . . . 48.4 m-85 -123.25 -23.65 4.84 Favored 'General case' 0 C--O 1.232 0.182 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.491 179.856 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 79' ' ' PHE . . . . . . . . . . . . . 67.9 m-85 -129.91 146.58 51.62 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-O 121.03 0.443 . . . . 0.0 110.284 -179.951 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 80' ' ' THR . . . . . 0.472 ' O ' ' CG2' ' A' ' 80' ' ' THR . 15.1 t -151.9 114.83 4.67 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.546 179.648 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 81' ' ' CYS . . . . . . . . . . . . . 6.5 t -160.39 155.9 25.28 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.454 179.725 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 82' ' ' ASP . . . . . . . . . . . . . 92.5 m-20 -61.26 139.5 58.14 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.266 -0.424 . . . . 0.0 110.727 179.912 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 98.1 mt-10 -48.58 133.98 16.16 Favored 'General case' 0 CA--C 1.519 -0.223 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.413 -179.891 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 84' ' ' GLY . . . . . 0.473 ' O ' ' N ' ' A' ' 66' ' ' LYS . . . 115.81 -3.05 21.33 Favored Glycine 0 CA--C 1.524 0.611 0 N-CA-C 110.654 -0.979 . . . . 0.0 110.654 -179.644 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 85' ' ' HIS . . . . . 0.505 ' ND1' ' O ' ' A' ' 62' ' ' LEU . 6.7 m-70 -145.04 166.99 23.74 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-O 120.919 0.39 . . . . 0.0 110.352 179.775 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 86' ' ' GLY . . . . . . . . . . . . . . . 108.62 43.61 1.22 Allowed Glycine 0 CA--C 1.524 0.615 0 N-CA-C 110.978 -0.849 . . . . 0.0 110.978 179.93 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 87' ' ' ILE . . . . . . . . . . . . . 3.7 mm -80.02 142.3 14.12 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.406 0 CA-C-O 121.026 0.441 . . . . 0.0 110.509 179.548 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 88' ' ' PHE . . . . . . . . . . . . . 88.3 m-85 -101.29 118.53 37.15 Favored 'General case' 0 C--O 1.234 0.276 0 CA-C-O 120.988 0.423 . . . . 0.0 110.195 -179.946 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 89' ' ' VAL . . . . . . . . . . . . . 33.3 m -127.08 160.33 35.97 Favored 'Isoleucine or valine' 0 CA--C 1.518 -0.279 0 CA-C-N 116.283 -0.417 . . . . 0.0 110.665 -179.911 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 90' ' ' ARG . . . . . . . . . . . . . 82.4 mtp180 -90.98 165.46 13.54 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.516 -179.806 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 91' ' ' GLN . . . . . . . . . . . . . 2.8 pt20 -60.52 -38.11 83.34 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.314 -0.403 . . . . 0.0 110.597 -179.923 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 36.8 t -66.25 -36.3 82.65 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 116.297 -0.411 . . . . 0.0 110.663 -179.797 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 93' ' ' GLN . . . . . . . . . . . . . 15.8 mm100 -68.71 -48.01 64.93 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.766 -179.266 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 94' ' ' ILE . . . . . . . . . . . . . 20.0 tt -91.14 133.19 33.59 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.343 0 CA-C-O 120.934 0.397 . . . . 0.0 110.753 -179.859 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 95' ' ' GLN . . . . . . . . . . . . . 20.1 mm100 -132.69 157.93 43.62 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-O 121.022 0.439 . . . . 0.0 110.427 -179.932 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 96' ' ' VAL . . . . . . . . . . . . . 4.1 p -118.26 131.55 70.7 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.169 0 CA-C-O 121.048 0.452 . . . . 0.0 110.319 -179.88 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 97' ' ' PHE . . . . . . . . . . . . . 52.7 p90 . . . . . 0 C--O 1.221 -0.447 0 CA-C-O 117.932 -1.032 . . . . 0.0 110.63 -179.934 . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 50.4 tp . . . . . 0 N--CA 1.488 1.475 0 N-CA-C 109.343 -0.614 . . . . 0.0 109.343 . . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 99.6 mtt180 -136.3 160.52 38.45 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.957 0.408 . . . . 0.0 110.787 179.671 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 18.8 m -64.49 131.92 30.27 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.377 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.201 -179.877 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . 97.04 -6.79 64.25 Favored Glycine 0 CA--C 1.525 0.674 0 N-CA-C 110.931 -0.868 . . . . 0.0 110.931 -179.755 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 27.2 m -67.55 141.27 56.89 Favored 'General case' 0 C--N 1.33 -0.244 0 C-N-CA 120.994 -0.282 . . . . 0.0 110.241 179.964 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 39.0 mtp180 -101.35 120.92 40.99 Favored 'General case' 0 N--CA 1.465 0.285 0 CA-C-N 116.507 -0.315 . . . . 0.0 110.264 179.741 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 1.5 m -149.17 175.9 1.02 Allowed 'Isoleucine or valine' 0 C--N 1.331 -0.225 0 CA-C-N 115.872 -0.604 . . . . 0.0 109.947 -179.97 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 10.4 pt-20 -121.14 133.95 55.22 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.231 179.205 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 35' ' ' VAL . . . . . 0.475 ' O ' ' O ' ' A' ' 38' ' ' LYS . 4.7 t -73.65 123.45 28.78 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.386 0 CA-C-O 121.418 0.628 . . . . 0.0 110.291 -179.885 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 5.1 mm -66.73 127.34 28.0 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.825 0 CA-C-N 116.119 -0.492 . . . . 0.0 110.738 -179.449 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 98.83 -35.86 4.39 Favored Glycine 0 CA--C 1.522 0.482 0 N-CA-C 110.82 -0.912 . . . . 0.0 110.82 179.691 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 38' ' ' LYS . . . . . 0.475 ' O ' ' O ' ' A' ' 35' ' ' VAL . 23.7 ttpt -162.46 -138.62 0.04 OUTLIER 'General case' 0 C--N 1.331 -0.199 0 C-N-CA 120.688 -0.405 . . . . 0.0 110.243 -179.924 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 39' ' ' GLY . . . . . 0.472 ' O ' ' O ' ' A' ' 40' ' ' HIS . . . 35.75 78.51 0.04 OUTLIER Glycine 0 C--N 1.336 0.541 0 N-CA-C 111.074 -0.81 . . . . 0.0 111.074 179.527 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 40' ' ' HIS . . . . . 0.589 ' CG ' ' H ' ' A' ' 41' ' ' ARG . 13.7 t-80 -45.17 174.71 0.0 OUTLIER 'General case' 0 C--N 1.327 -0.406 0 CA-C-O 120.913 0.387 . . . . 0.0 110.499 -179.293 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 41' ' ' ARG . . . . . 0.589 ' H ' ' CG ' ' A' ' 40' ' ' HIS . 90.4 mtm180 -45.82 143.09 2.23 Favored 'General case' 0 C--N 1.325 -0.48 0 CA-C-N 116.345 -0.389 . . . . 0.0 110.706 -179.473 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -173.73 -176.13 41.95 Favored Glycine 0 CA--C 1.525 0.666 0 N-CA-C 110.658 -0.977 . . . . 0.0 110.658 -179.895 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 17.6 m -126.07 137.68 53.64 Favored 'General case' 0 N--CA 1.466 0.357 0 CA-C-O 120.735 0.302 . . . . 0.0 110.516 -179.664 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 2.1 m -74.62 115.53 15.98 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-O 120.974 0.416 . . . . 0.0 110.252 -179.857 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -98.3 -48.78 4.94 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.501 179.879 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 46' ' ' TYR . . . . . . . . . . . . . 78.6 t80 -124.03 126.05 45.6 Favored 'General case' 0 N--CA 1.467 0.382 0 CA-C-N 116.396 -0.365 . . . . 0.0 110.616 -179.815 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 47' ' ' VAL . . . . . . . . . . . . . 2.8 p -134.39 121.57 37.2 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.27 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.471 179.886 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 160.34 -173.94 37.0 Favored Glycine 0 CA--C 1.52 0.35 0 N-CA-C 110.676 -0.969 . . . . 0.0 110.676 179.496 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -96.82 145.62 25.67 Favored 'General case' 0 C--N 1.328 -0.332 0 N-CA-C 110.1 -0.333 . . . . 0.0 110.1 179.461 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 71.7 p -129.88 147.48 51.65 Favored 'General case' 0 N--CA 1.465 0.292 0 CA-C-O 120.955 0.407 . . . . 0.0 110.369 -179.97 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 75.6 mt -69.59 -13.47 62.34 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-N 116.008 -0.542 . . . . 0.0 110.555 -179.64 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 52' ' ' PHE . . . . . . . . . . . . . 63.6 t80 -69.25 -28.55 66.42 Favored 'General case' 0 C--N 1.327 -0.413 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.6 -179.832 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -151.49 154.15 36.0 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-N 116.465 -0.334 . . . . 0.0 110.517 -179.909 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 54' ' ' THR . . . . . . . . . . . . . 70.2 p -80.54 159.9 25.35 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.287 -0.415 . . . . 0.0 110.448 179.998 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . 87.2 -154.02 25.96 Favored Glycine 0 CA--C 1.522 0.495 0 N-CA-C 110.486 -1.046 . . . . 0.0 110.486 -179.881 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 36.0 ttmt -117.38 118.44 32.25 Favored 'General case' 0 CA--C 1.52 -0.184 0 CA-C-O 120.766 0.317 . . . . 0.0 110.409 179.891 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 57' ' ' TRP . . . . . . . . . . . . . 6.5 m0 -104.23 137.22 42.47 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.216 -179.916 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 58' ' ' VAL . . . . . . . . . . . . . 47.6 t -128.89 123.31 58.75 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.23 0 CA-C-N 115.956 -0.565 . . . . 0.0 110.469 179.859 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . -89.44 117.71 5.02 Favored Glycine 0 CA--C 1.519 0.33 0 N-CA-C 109.919 -1.272 . . . . 0.0 109.919 179.527 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 60' ' ' VAL . . . . . . . . . . . . . 56.1 t -114.3 137.27 48.15 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.32 0 CA-C-O 121.441 0.639 . . . . 0.0 110.744 -179.359 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 61' ' ' ILE . . . . . 0.415 ' N ' ' CD1' ' A' ' 61' ' ' ILE . 1.7 mp -98.67 114.94 37.79 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 N-CA-C 109.339 -0.615 . . . . 0.0 109.339 179.625 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 62' ' ' LEU . . . . . 0.649 ' H ' ' CD2' ' A' ' 62' ' ' LEU . 0.5 OUTLIER -77.1 143.06 39.47 Favored 'General case' 0 C--N 1.323 -0.557 0 CA-C-N 115.574 -0.739 . . . . 0.0 110.708 -179.869 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 90.9 m-20 -62.62 -44.43 96.3 Favored 'General case' 0 N--CA 1.448 -0.559 0 CA-C-N 115.531 -0.759 . . . . 0.0 110.575 -179.914 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 18.7 pt-20 -93.3 167.35 11.8 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.112 179.646 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -55.46 135.6 50.39 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 116.333 -0.394 . . . . 0.0 110.63 -179.802 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 66' ' ' LYS . . . . . 0.429 ' O ' ' O ' ' A' ' 84' ' ' GLY . 11.1 tptm -143.99 104.6 4.17 Favored 'General case' 0 C--O 1.225 -0.19 0 CA-C-O 121.26 0.552 . . . . 0.0 110.101 179.787 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . -44.28 103.09 0.04 OUTLIER Glycine 0 C--N 1.316 -0.547 0 C-N-CA 120.468 -0.872 . . . . 0.0 112.015 -179.221 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 28.3 tptp -169.3 131.82 1.22 Allowed 'General case' 0 C--N 1.325 -0.465 0 CA-C-N 115.119 -0.54 . . . . 0.0 110.789 179.011 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 69' ' ' ASN . . . . . 0.443 ' OD1' ' O ' ' A' ' 69' ' ' ASN . 35.2 p-10 -94.37 121.52 35.98 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.317 179.031 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 70' ' ' ASP . . . . . 0.483 ' OD2' ' N ' ' A' ' 81' ' ' CYS . 9.3 t70 -120.92 104.66 10.0 Favored 'General case' 0 N--CA 1.465 0.325 0 CA-C-N 116.311 -0.404 . . . . 0.0 110.369 179.95 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . -176.96 -151.99 9.48 Favored Glycine 0 CA--C 1.523 0.592 0 N-CA-C 110.892 -0.883 . . . . 0.0 110.892 -179.989 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 72' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -66.46 111.59 3.65 Favored 'General case' 0 C--N 1.327 -0.409 0 N-CA-C 110.141 -0.318 . . . . 0.0 110.141 179.98 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 73' ' ' VAL . . . . . . . . . . . . . 78.6 t -118.21 129.14 74.98 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.231 0 CA-C-O 121.0 0.428 . . . . 0.0 110.23 -179.952 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 74' ' ' GLN . . . . . . . . . . . . . 37.1 tp60 55.35 21.54 4.26 Favored 'General case' 0 C--N 1.325 -0.46 0 CA-C-N 115.89 -0.596 . . . . 0.0 110.413 179.938 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . 83.13 4.53 89.75 Favored Glycine 0 CA--C 1.523 0.533 0 N-CA-C 111.021 -0.832 . . . . 0.0 111.021 -179.848 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 76' ' ' ARG . . . . . . . . . . . . . 6.7 mmp_? -103.09 121.75 43.24 Favored 'General case' 0 CA--C 1.521 -0.169 0 CA-C-O 120.767 0.317 . . . . 0.0 110.597 179.919 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 89.0 tttt -105.82 89.89 3.22 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.113 179.48 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 78' ' ' TYR . . . . . . . . . . . . . 36.7 m-85 -108.45 -28.29 9.44 Favored 'General case' 0 N--CA 1.466 0.333 0 CA-C-N 116.298 -0.41 . . . . 0.0 110.5 179.876 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 79' ' ' PHE . . . . . . . . . . . . . 4.4 p90 -144.6 152.88 41.15 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.343 -0.389 . . . . 0.0 110.577 -179.869 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 80' ' ' THR . . . . . . . . . . . . . 53.5 m -147.85 125.5 11.81 Favored 'General case' 0 C--N 1.331 -0.206 0 CA-C-N 115.92 -0.582 . . . . 0.0 110.646 179.85 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 81' ' ' CYS . . . . . 0.483 ' N ' ' OD2' ' A' ' 70' ' ' ASP . 5.6 t -155.25 157.67 37.63 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 116.097 -0.501 . . . . 0.0 110.283 179.662 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 82' ' ' ASP . . . . . . . . . . . . . 98.8 m-20 -60.69 140.19 57.59 Favored 'General case' 0 C--O 1.236 0.378 0 CA-C-O 121.293 0.568 . . . . 0.0 110.521 -179.914 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 81.6 tt0 -48.16 138.28 9.67 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 115.922 -0.581 . . . . 0.0 110.076 -179.863 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 84' ' ' GLY . . . . . 0.429 ' O ' ' O ' ' A' ' 66' ' ' LYS . . . 103.83 -3.63 45.53 Favored Glycine 0 CA--C 1.523 0.593 0 N-CA-C 110.613 -0.995 . . . . 0.0 110.613 -179.721 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 85' ' ' HIS . . . . . . . . . . . . . 49.9 m-70 -141.99 165.17 28.18 Favored 'General case' 0 N--CA 1.463 0.199 0 C-N-CA 121.166 -0.213 . . . . 0.0 110.814 179.954 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 86' ' ' GLY . . . . . . . . . . . . . . . 101.3 42.61 2.34 Favored Glycine 0 C--N 1.338 0.691 0 N-CA-C 110.933 -0.867 . . . . 0.0 110.933 179.978 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 87' ' ' ILE . . . . . . . . . . . . . 3.4 tp -78.54 132.37 32.47 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.381 0 N-CA-C 110.178 -0.304 . . . . 0.0 110.178 -179.953 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 88' ' ' PHE . . . . . 0.494 ' CD1' ' O ' ' A' ' 88' ' ' PHE . 51.7 p90 -87.72 131.33 34.52 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.912 -179.816 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 89' ' ' VAL . . . . . . . . . . . . . 30.5 m -136.46 160.0 37.86 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.241 0 CA-C-N 116.059 -0.519 . . . . 0.0 110.204 179.629 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 90' ' ' ARG . . . . . . . . . . . . . 92.0 mtt180 -86.21 163.52 17.73 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 115.963 -0.562 . . . . 0.0 110.536 -179.815 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 91' ' ' GLN . . . . . . . . . . . . . 60.8 tt0 -60.09 -41.59 92.81 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.492 -179.551 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 63.5 p -63.66 -32.73 74.3 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.82 179.873 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 93' ' ' GLN . . . . . . . . . . . . . 86.7 mt-30 -69.08 -48.25 63.17 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.304 -0.407 . . . . 0.0 110.851 -179.786 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 94' ' ' ILE . . . . . . . . . . . . . 20.7 tt -90.21 128.35 42.19 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.368 0 CA-C-N 116.313 -0.403 . . . . 0.0 110.462 179.971 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 95' ' ' GLN . . . . . . . . . . . . . 86.1 mt-30 -143.44 154.65 43.9 Favored 'General case' 0 C--N 1.331 -0.199 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.564 -179.831 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 96' ' ' VAL . . . . . . . . . . . . . 29.3 m -75.07 138.16 21.53 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 115.979 -0.555 . . . . 0.0 110.596 -179.92 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 97' ' ' PHE . . . . . . . . . . . . . 89.8 t80 . . . . . 0 C--O 1.22 -0.467 0 CA-C-O 118.05 -0.976 . . . . 0.0 110.56 -179.983 . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 54.8 tp . . . . . 0 N--CA 1.491 1.585 0 N-CA-C 109.448 -0.575 . . . . 0.0 109.448 . . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 93.4 mtt-85 -67.17 140.52 57.49 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.652 -179.538 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 6.7 m -67.13 135.99 27.53 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.418 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.416 -179.871 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . 94.99 -12.51 68.4 Favored Glycine 0 CA--C 1.524 0.622 0 N-CA-C 110.869 -0.892 . . . . 0.0 110.869 -179.862 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 6.6 p -71.84 146.4 47.99 Favored 'General case' 0 C--N 1.329 -0.285 0 N-CA-C 110.003 -0.369 . . . . 0.0 110.003 179.954 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 32.2 ptt85 -107.97 123.04 48.04 Favored 'General case' 0 N--CA 1.465 0.305 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.391 179.752 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 3.3 m -145.85 165.72 9.69 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 115.86 -0.609 . . . . 0.0 110.363 179.887 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 13.8 pt-20 -106.73 129.31 54.63 Favored 'General case' 0 N--CA 1.464 0.24 0 CA-C-N 116.283 -0.417 . . . . 0.0 109.992 179.343 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 35' ' ' VAL . . . . . 0.447 ' O ' ' O ' ' A' ' 38' ' ' LYS . 21.6 t -68.09 128.91 32.22 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 CA-C-O 121.237 0.541 . . . . 0.0 109.812 -179.686 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 89.7 mt -63.92 126.54 22.78 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.634 0 C-N-CA 120.343 -0.543 . . . . 0.0 111.099 -179.189 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 97.8 -37.24 3.54 Favored Glycine 0 CA--C 1.527 0.803 0 N-CA-C 111.333 -0.707 . . . . 0.0 111.333 179.482 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 38' ' ' LYS . . . . . 0.447 ' O ' ' O ' ' A' ' 35' ' ' VAL . 25.4 pttm -163.79 -136.93 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.248 0 CA-C-O 120.825 0.345 . . . . 0.0 110.511 -179.986 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 39' ' ' GLY . . . . . 0.463 ' O ' ' O ' ' A' ' 40' ' ' HIS . . . 40.07 79.82 0.04 OUTLIER Glycine 0 C--N 1.334 0.447 0 N-CA-C 111.25 -0.74 . . . . 0.0 111.25 179.137 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 40' ' ' HIS . . . . . 0.463 ' O ' ' O ' ' A' ' 39' ' ' GLY . 59.9 m170 -44.58 173.81 0.0 OUTLIER 'General case' 0 C--N 1.33 -0.269 0 CA-C-O 121.012 0.434 . . . . 0.0 110.481 -179.547 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 82.4 mtp180 -46.39 139.99 4.5 Favored 'General case' 0 C--N 1.325 -0.473 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.986 -179.43 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -166.6 163.09 36.73 Favored Glycine 0 CA--C 1.524 0.646 0 N-CA-C 110.762 -0.935 . . . . 0.0 110.762 179.901 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 12.5 p -109.26 141.07 42.08 Favored 'General case' 0 N--CA 1.466 0.334 0 CA-C-O 120.958 0.409 . . . . 0.0 110.857 -179.703 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 1.6 m -78.34 113.03 17.04 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 115.979 -0.555 . . . . 0.0 109.965 -179.935 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -97.6 -48.52 5.22 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.836 -179.854 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 46' ' ' TYR . . . . . . . . . . . . . 80.2 t80 -124.19 132.09 53.59 Favored 'General case' 0 N--CA 1.467 0.4 0 CA-C-O 120.989 0.423 . . . . 0.0 110.886 -179.438 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 47' ' ' VAL . . . . . . . . . . . . . 2.6 p -132.71 120.87 43.33 Favored 'Isoleucine or valine' 0 C--N 1.333 -0.151 0 CA-C-N 115.998 -0.546 . . . . 0.0 110.382 179.649 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 48' ' ' GLY . . . . . 0.422 ' O ' ' O ' ' A' ' 57' ' ' TRP . . . 160.17 -178.48 36.2 Favored Glycine 0 CA--C 1.52 0.36 0 N-CA-C 110.668 -0.973 . . . . 0.0 110.668 179.385 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -88.52 135.69 33.36 Favored 'General case' 0 C--N 1.328 -0.349 0 N-CA-C 110.059 -0.348 . . . . 0.0 110.059 179.328 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 50' ' ' THR . . . . . 0.478 ' O ' ' O ' ' A' ' 53' ' ' ALA . 76.7 p -110.88 144.52 39.8 Favored 'General case' 0 N--CA 1.466 0.369 0 CA-C-O 120.918 0.389 . . . . 0.0 110.352 -179.946 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 62.4 mt -69.52 -17.72 63.61 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.5 -179.775 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 52' ' ' PHE . . . . . . . . . . . . . 81.0 t80 -69.74 -21.88 63.42 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.07 -0.514 . . . . 0.0 110.556 -179.78 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 53' ' ' ALA . . . . . 0.478 ' O ' ' O ' ' A' ' 50' ' ' THR . . . -149.37 149.21 30.5 Favored 'General case' 0 N--CA 1.463 0.188 0 CA-C-O 120.927 0.394 . . . . 0.0 110.508 179.899 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 54' ' ' THR . . . . . . . . . . . . . 18.6 m -78.72 153.49 30.84 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-N 116.294 -0.412 . . . . 0.0 110.816 -179.8 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . 86.72 -163.15 34.93 Favored Glycine 0 CA--C 1.52 0.36 0 N-CA-C 110.505 -1.038 . . . . 0.0 110.505 179.873 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 36.9 ttmt -100.55 141.18 33.78 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.897 0.38 . . . . 0.0 110.252 179.995 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 57' ' ' TRP . . . . . 0.422 ' O ' ' O ' ' A' ' 48' ' ' GLY . 94.5 m95 -137.53 140.89 41.37 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.365 179.784 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 58' ' ' VAL . . . . . . . . . . . . . 47.7 t -117.88 127.03 75.21 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.332 0 CA-C-N 116.406 -0.361 . . . . 0.0 110.508 -179.999 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . -89.33 115.28 4.47 Favored Glycine 0 CA--C 1.519 0.319 0 N-CA-C 109.961 -1.256 . . . . 0.0 109.961 179.739 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 60' ' ' VAL . . . . . . . . . . . . . 43.4 t -116.99 137.2 51.66 Favored 'Isoleucine or valine' 0 C--O 1.233 0.192 0 CA-C-O 121.139 0.495 . . . . 0.0 110.621 -179.302 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 61' ' ' ILE . . . . . 0.511 ' N ' ' CD1' ' A' ' 61' ' ' ILE . 1.7 mp -99.16 110.98 27.56 Favored 'Isoleucine or valine' 0 CA--C 1.517 -0.307 0 N-CA-C 109.09 -0.707 . . . . 0.0 109.09 179.061 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 62' ' ' LEU . . . . . 0.667 ' H ' ' CD2' ' A' ' 62' ' ' LEU . 0.4 OUTLIER -75.74 146.99 39.66 Favored 'General case' 0 C--N 1.324 -0.507 0 CA-C-N 115.526 -0.761 . . . . 0.0 110.801 -179.504 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 88.4 m-20 -67.82 -19.19 65.04 Favored 'General case' 0 C--N 1.322 -0.596 0 CA-C-N 115.552 -0.749 . . . . 0.0 110.516 -179.762 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 64' ' ' GLU . . . . . 0.415 ' O ' ' NE2' ' A' ' 85' ' ' HIS . 80.2 mm-40 -109.87 176.07 5.2 Favored 'General case' 0 N--CA 1.465 0.321 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.356 -179.976 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -77.5 95.03 4.4 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.089 -0.505 . . . . 0.0 110.766 -179.514 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 66' ' ' LYS . . . . . 0.531 ' N ' ' O ' ' A' ' 84' ' ' GLY . 4.7 tptp -97.48 107.37 19.87 Favored 'General case' 0 N--CA 1.464 0.228 0 CA-C-O 121.177 0.513 . . . . 0.0 109.744 179.903 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . -43.33 101.44 0.02 OUTLIER Glycine 0 C--N 1.315 -0.592 0 C-N-CA 120.475 -0.869 . . . . 0.0 112.124 -179.186 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 19.8 tptp -165.92 136.07 3.47 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-N 114.975 -0.612 . . . . 0.0 110.878 179.388 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 69' ' ' ASN . . . . . . . . . . . . . 86.4 m-20 -87.87 120.23 29.0 Favored 'General case' 0 C--N 1.331 -0.211 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.543 179.722 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 32.7 t0 -116.49 107.2 14.47 Favored 'General case' 0 N--CA 1.466 0.342 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.369 179.738 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . 177.41 -150.75 10.33 Favored Glycine 0 CA--C 1.523 0.556 0 N-CA-C 110.961 -0.856 . . . . 0.0 110.961 -179.908 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 72' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -67.67 122.48 18.14 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.637 0.256 . . . . 0.0 110.381 179.982 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 73' ' ' VAL . . . . . . . . . . . . . 92.2 t -120.35 126.6 75.44 Favored 'Isoleucine or valine' 0 N--CA 1.463 0.213 0 CA-C-O 121.099 0.476 . . . . 0.0 110.165 179.7 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 74' ' ' GLN . . . . . . . . . . . . . 39.9 tp60 60.11 20.2 9.45 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-N 115.838 -0.619 . . . . 0.0 110.297 -179.824 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . 89.56 -2.94 83.32 Favored Glycine 0 CA--C 1.525 0.706 0 N-CA-C 111.124 -0.79 . . . . 0.0 111.124 179.944 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 76' ' ' ARG . . . . . . . . . . . . . 83.5 mmt-85 -103.63 124.94 49.75 Favored 'General case' 0 CA--C 1.519 -0.225 0 CA-C-O 120.98 0.419 . . . . 0.0 109.928 -179.81 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 88.6 tttt -104.52 105.23 15.26 Favored 'General case' 0 C--N 1.332 -0.19 0 CA-C-N 115.907 -0.588 . . . . 0.0 110.572 -179.836 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 78' ' ' TYR . . . . . . . . . . . . . 67.3 m-85 -94.36 -49.53 5.66 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.092 -0.504 . . . . 0.0 110.368 179.47 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 79' ' ' PHE . . . . . . . . . . . . . 25.1 p90 -155.34 160.09 40.45 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 115.946 -0.57 . . . . 0.0 110.643 179.992 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 80' ' ' THR . . . . . . . . . . . . . 97.4 m -128.44 129.27 45.89 Favored 'General case' 0 N--CA 1.465 0.288 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.626 179.969 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 81' ' ' CYS . . . . . . . . . . . . . 8.6 t -136.77 168.2 19.99 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.054 -0.521 . . . . 0.0 110.203 179.934 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 82' ' ' ASP . . . . . . . . . . . . . 98.3 m-20 -63.29 139.39 58.77 Favored 'General case' 0 C--N 1.325 -0.47 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.775 -179.709 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 80.9 mm-40 -51.11 116.6 2.09 Favored 'General case' 0 CA--C 1.514 -0.406 0 CA-C-N 115.933 -0.576 . . . . 0.0 109.883 179.796 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 84' ' ' GLY . . . . . 0.531 ' O ' ' N ' ' A' ' 66' ' ' LYS . . . 115.86 9.58 12.17 Favored Glycine 0 CA--C 1.527 0.795 0 N-CA-C 110.763 -0.935 . . . . 0.0 110.763 -179.957 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 85' ' ' HIS . . . . . 0.415 ' NE2' ' O ' ' A' ' 64' ' ' GLU . 32.0 m170 -134.68 169.39 17.4 Favored 'General case' 0 N--CA 1.467 0.399 0 O-C-N 122.603 -0.351 . . . . 0.0 110.842 179.883 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 86' ' ' GLY . . . . . . . . . . . . . . . 85.29 47.76 5.07 Favored Glycine 0 C--N 1.337 0.634 0 N-CA-C 111.081 -0.808 . . . . 0.0 111.081 -179.993 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 87' ' ' ILE . . . . . . . . . . . . . 16.7 tt -85.35 130.0 36.95 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.245 0 CA-C-O 121.026 0.441 . . . . 0.0 110.577 -179.911 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 88' ' ' PHE . . . . . . . . . . . . . 53.1 m-85 -77.24 136.54 38.54 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 115.838 -0.619 . . . . 0.0 110.586 -179.61 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 89' ' ' VAL . . . . . . . . . . . . . 33.8 m -140.56 158.11 24.38 Favored 'Isoleucine or valine' 0 C--O 1.236 0.355 0 CA-C-N 115.996 -0.547 . . . . 0.0 110.306 179.51 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 90' ' ' ARG . . . . . . . . . . . . . 84.1 mtp180 -77.76 150.69 34.33 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 115.835 -0.621 . . . . 0.0 110.329 179.67 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 91' ' ' GLN . . . . . . . . . . . . . 22.6 pt20 -63.18 -34.25 77.22 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.099 -0.5 . . . . 0.0 110.689 -179.75 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 77.6 p -72.52 -32.83 66.45 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.133 179.903 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 93' ' ' GLN . . . . . . . . . . . . . 3.2 tp-100 -69.38 -37.28 77.49 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.853 -179.199 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 94' ' ' ILE . . . . . . . . . . . . . 19.5 tt -88.99 132.63 33.3 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.101 -179.868 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 95' ' ' GLN . . . . . . . . . . . . . 58.2 tt0 -139.4 155.26 47.74 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.172 -179.895 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 96' ' ' VAL . . . . . . . . . . . . . 6.2 p -120.11 131.48 72.36 Favored 'Isoleucine or valine' 0 N--CA 1.463 0.201 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.181 -179.876 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 97' ' ' PHE . . . . . . . . . . . . . 42.9 t80 . . . . . 0 C--O 1.219 -0.5 0 CA-C-O 117.992 -1.004 . . . . 0.0 110.451 -179.662 . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 1.9 tt . . . . . 0 N--CA 1.49 1.526 0 N-CA-C 109.303 -0.629 . . . . 0.0 109.303 . . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 62.3 ttp180 -89.52 143.35 26.89 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.425 179.651 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 35.3 m -64.08 133.48 29.65 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.425 179.889 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . 100.01 -14.1 60.17 Favored Glycine 0 CA--C 1.526 0.746 0 N-CA-C 110.837 -0.905 . . . . 0.0 110.837 -179.807 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 43.2 t -64.93 142.39 58.45 Favored 'General case' 0 C--O 1.24 0.571 0 CA-C-O 120.917 0.389 . . . . 0.0 110.48 -179.885 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 88.5 mtm180 -99.72 122.43 42.71 Favored 'General case' 0 C--O 1.233 0.221 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.348 -179.65 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 2.1 m -145.41 163.67 11.88 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.145 179.354 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 34' ' ' GLU . . . . . 0.405 ' O ' ' CG ' ' A' ' 34' ' ' GLU . 8.3 pt-20 -111.21 127.91 55.75 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.487 178.59 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 53.2 t -65.1 132.47 30.9 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.262 0 CA-C-O 121.06 0.457 . . . . 0.0 110.281 179.898 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 96.0 mt -74.35 129.59 36.47 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.453 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.952 -179.254 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 94.09 -39.6 2.89 Favored Glycine 0 CA--C 1.52 0.385 0 N-CA-C 111.047 -0.821 . . . . 0.0 111.047 179.129 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 53.3 mtmt -155.42 -145.09 0.15 Allowed 'General case' 0 C--N 1.329 -0.324 0 N-CA-C 110.32 -0.252 . . . . 0.0 110.32 -179.799 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 39' ' ' GLY . . . . . 0.483 ' O ' ' O ' ' A' ' 40' ' ' HIS . . . 39.25 78.5 0.05 OUTLIER Glycine 0 CA--C 1.524 0.63 0 N-CA-C 111.205 -0.758 . . . . 0.0 111.205 179.787 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 40' ' ' HIS . . . . . 0.483 ' O ' ' O ' ' A' ' 39' ' ' GLY . 34.1 m80 -45.65 177.62 0.0 OUTLIER 'General case' 0 C--N 1.332 -0.17 0 CA-C-O 121.125 0.488 . . . . 0.0 110.369 179.971 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 20.9 ptt-85 -42.49 135.73 2.65 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 116.059 -0.518 . . . . 0.0 110.867 -179.355 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -164.28 171.5 39.83 Favored Glycine 0 CA--C 1.519 0.328 0 N-CA-C 110.815 -0.914 . . . . 0.0 110.815 -179.599 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 14.8 m -123.48 132.65 53.98 Favored 'General case' 0 N--CA 1.465 0.297 0 CA-C-O 120.725 0.298 . . . . 0.0 110.472 -179.554 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 77.4 t -76.31 130.07 36.58 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.318 -179.699 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -130.36 -38.79 1.35 Allowed 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.309 -0.405 . . . . 0.0 110.602 -179.911 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 46' ' ' TYR . . . . . . . . . . . . . 63.9 t80 -117.59 117.71 30.14 Favored 'General case' 0 CA--C 1.518 -0.27 0 CA-C-N 116.339 -0.392 . . . . 0.0 110.506 -179.552 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 47' ' ' VAL . . . . . . . . . . . . . 2.8 p -130.8 122.28 51.96 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.261 0 CA-C-O 121.009 0.433 . . . . 0.0 110.326 179.566 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 160.67 -175.53 37.37 Favored Glycine 0 CA--C 1.521 0.442 0 N-CA-C 110.818 -0.913 . . . . 0.0 110.818 179.303 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -98.89 117.53 33.59 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-O 120.948 0.404 . . . . 0.0 110.357 179.574 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 50' ' ' THR . . . . . 0.41 ' O ' ' O ' ' A' ' 53' ' ' ALA . 71.3 p -87.35 148.31 25.1 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.434 179.963 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 51' ' ' LEU . . . . . 0.485 ' N ' ' CD1' ' A' ' 51' ' ' LEU . 8.7 mp -69.94 -13.43 62.24 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.169 -0.468 . . . . 0.0 110.304 179.934 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 52' ' ' PHE . . . . . . . . . . . . . 90.0 t80 -70.3 -28.01 64.84 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.492 -179.79 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 53' ' ' ALA . . . . . 0.41 ' O ' ' O ' ' A' ' 50' ' ' THR . . . -151.61 153.94 35.45 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.294 -0.412 . . . . 0.0 110.506 179.966 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 54' ' ' THR . . . . . . . . . . . . . 10.4 p -81.73 169.34 17.06 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.6 -179.822 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . 87.78 -146.14 19.77 Favored Glycine 0 CA--C 1.521 0.413 0 N-CA-C 110.712 -0.955 . . . . 0.0 110.712 -179.872 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 85.5 tttt -132.55 122.28 24.57 Favored 'General case' 0 N--CA 1.464 0.257 0 CA-C-O 120.826 0.346 . . . . 0.0 110.315 -179.945 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 57' ' ' TRP . . . . . . . . . . . . . 84.8 m95 -117.23 148.06 41.97 Favored 'General case' 0 C--O 1.234 0.24 0 CA-C-N 116.301 -0.409 . . . . 0.0 110.304 179.964 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 58' ' ' VAL . . . . . 0.519 ' CG2' ' NE2' ' A' ' 91' ' ' GLN . 53.0 t -125.49 124.14 66.28 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.308 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.504 179.976 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . -87.39 114.35 4.12 Favored Glycine 0 C--O 1.238 0.354 0 N-CA-C 110.476 -1.049 . . . . 0.0 110.476 179.669 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 60' ' ' VAL . . . . . . . . . . . . . 18.2 t -112.0 134.02 55.82 Favored 'Isoleucine or valine' 0 C--O 1.233 0.191 0 CA-C-O 121.088 0.47 . . . . 0.0 110.532 -179.302 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 61' ' ' ILE . . . . . 0.541 ' N ' ' CD1' ' A' ' 61' ' ' ILE . 1.6 mp -90.56 105.26 16.15 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.254 0 CA-C-N 116.094 -0.503 . . . . 0.0 109.959 179.291 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 62' ' ' LEU . . . . . 0.568 ' N ' ' CD2' ' A' ' 62' ' ' LEU . 3.3 mm? -69.14 139.82 54.7 Favored 'General case' 0 C--N 1.32 -0.687 0 CA-C-N 116.043 -0.526 . . . . 0.0 111.283 179.491 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 97.0 m-20 -77.94 -19.08 55.26 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-N 116.05 -0.523 . . . . 0.0 110.395 179.693 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 44.0 tt0 -110.5 146.33 36.18 Favored 'General case' 0 N--CA 1.466 0.344 0 CA-C-N 116.324 -0.398 . . . . 0.0 110.313 179.86 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -48.39 101.16 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.061 -0.518 . . . . 0.0 110.625 -179.48 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 66' ' ' LYS . . . . . 0.544 ' N ' ' O ' ' A' ' 84' ' ' GLY . 0.8 OUTLIER -115.83 109.26 17.39 Favored 'General case' 0 N--CA 1.464 0.237 0 CA-C-O 121.358 0.599 . . . . 0.0 110.253 179.422 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . -43.93 104.64 0.06 OUTLIER Glycine 0 CA--C 1.521 0.422 0 C-N-CA 120.638 -0.792 . . . . 0.0 112.101 -179.215 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 68' ' ' LYS . . . . . 0.419 ' NZ ' ' O ' ' A' ' 86' ' ' GLY . 19.0 tptm -169.35 134.58 1.51 Allowed 'General case' 0 N--CA 1.447 -0.604 0 CA-C-O 120.927 0.394 . . . . 0.0 110.68 179.307 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 69' ' ' ASN . . . . . . . . . . . . . 62.6 t30 -90.88 119.85 31.42 Favored 'General case' 0 C--O 1.233 0.223 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.33 178.938 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 70' ' ' ASP . . . . . 0.539 ' OD2' ' N ' ' A' ' 81' ' ' CYS . 13.9 t70 -120.89 101.87 7.99 Favored 'General case' 0 N--CA 1.467 0.393 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.498 179.62 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . -175.22 -148.91 6.99 Favored Glycine 0 CA--C 1.524 0.598 0 N-CA-C 110.912 -0.875 . . . . 0.0 110.912 179.729 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 72' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -76.29 127.7 33.42 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.741 0.305 . . . . 0.0 110.415 -179.752 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 73' ' ' VAL . . . . . . . . . . . . . 64.2 t -119.64 128.11 75.88 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.268 0 CA-C-N 116.354 -0.385 . . . . 0.0 110.191 179.848 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 74' ' ' GLN . . . . . . . . . . . . . 97.9 mt-30 54.1 21.21 2.87 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.034 -0.53 . . . . 0.0 110.558 179.685 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . 89.58 2.06 76.7 Favored Glycine 0 CA--C 1.523 0.549 0 N-CA-C 110.809 -0.916 . . . . 0.0 110.809 179.854 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 76' ' ' ARG . . . . . . . . . . . . . 95.5 mtt-85 -96.29 115.34 27.28 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-O 121.017 0.436 . . . . 0.0 110.074 -179.851 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 88.4 tttt -104.99 92.99 4.46 Favored 'General case' 0 C--N 1.331 -0.207 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.712 -179.583 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 78' ' ' TYR . . . . . . . . . . . . . 38.8 m-85 -102.45 -35.91 8.61 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.347 -0.388 . . . . 0.0 110.373 179.235 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 79' ' ' PHE . . . . . . . . . . . . . 29.2 p90 -151.32 151.32 31.62 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.296 -0.411 . . . . 0.0 110.601 179.909 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 80' ' ' THR . . . . . . . . . . . . . 86.9 m -137.6 135.16 36.36 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.316 -0.402 . . . . 0.0 110.734 -179.818 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 81' ' ' CYS . . . . . 0.539 ' N ' ' OD2' ' A' ' 70' ' ' ASP . 18.6 t -155.64 164.28 38.82 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.264 179.42 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 82' ' ' ASP . . . . . . . . . . . . . 98.7 m-20 -66.57 141.36 57.87 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-O 121.095 0.474 . . . . 0.0 110.574 -179.923 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 17.2 pt-20 -52.14 146.43 8.97 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.06 -0.518 . . . . 0.0 110.336 179.813 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 84' ' ' GLY . . . . . 0.544 ' O ' ' N ' ' A' ' 66' ' ' LYS . . . 101.52 -13.87 58.05 Favored Glycine 0 CA--C 1.522 0.516 0 N-CA-C 110.579 -1.008 . . . . 0.0 110.579 179.981 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 85' ' ' HIS . . . . . 0.556 ' CD2' ' O ' ' A' ' 62' ' ' LEU . 3.7 m80 -138.59 160.3 39.94 Favored 'General case' 0 C--N 1.329 -0.289 0 O-C-N 122.503 -0.41 . . . . 0.0 110.265 -179.801 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 86' ' ' GLY . . . . . 0.419 ' O ' ' NZ ' ' A' ' 68' ' ' LYS . . . 104.64 45.9 1.36 Allowed Glycine 0 CA--C 1.521 0.432 0 N-CA-C 110.875 -0.89 . . . . 0.0 110.875 179.454 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 87' ' ' ILE . . . . . . . . . . . . . 79.4 mt -80.67 153.71 4.35 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.37 0 CA-C-O 121.056 0.455 . . . . 0.0 110.398 179.602 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 88' ' ' PHE . . . . . 0.501 ' CD2' ' O ' ' A' ' 88' ' ' PHE . 54.6 p90 -101.58 126.36 48.39 Favored 'General case' 0 C--O 1.232 0.177 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.301 179.415 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 89' ' ' VAL . . . . . . . . . . . . . 26.9 m -133.61 159.5 42.63 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.256 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.451 179.886 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 90' ' ' ARG . . . . . . . . . . . . . 86.1 mtm180 -87.33 167.89 13.65 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.588 -179.802 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 91' ' ' GLN . . . . . 0.519 ' NE2' ' CG2' ' A' ' 58' ' ' VAL . 95.0 mm-40 -62.11 -43.85 97.93 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.48 -179.696 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 57.9 m -59.46 -35.25 73.72 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.642 179.977 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 93' ' ' GLN . . . . . . . . . . . . . 15.8 mm100 -68.43 -51.73 40.49 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.867 -179.322 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 94' ' ' ILE . . . . . 0.433 ' O ' ' O ' ' A' ' 91' ' ' GLN . 20.3 tt -90.84 133.28 33.09 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 116.266 -0.425 . . . . 0.0 110.728 -179.591 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 95' ' ' GLN . . . . . . . . . . . . . 57.9 tt0 -138.26 154.2 49.06 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 116.24 -0.437 . . . . 0.0 110.429 179.806 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 96' ' ' VAL . . . . . . . . . . . . . 13.0 m -77.53 142.42 14.23 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.352 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.644 -179.86 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 97' ' ' PHE . . . . . . . . . . . . . 55.6 p90 . . . . . 0 C--O 1.22 -0.453 0 CA-C-O 118.003 -0.999 . . . . 0.0 110.64 -179.841 . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 60.5 tp . . . . . 0 N--CA 1.487 1.397 0 N-CA-C 109.342 -0.614 . . . . 0.0 109.342 . . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 78.8 mtp85 -138.53 157.53 46.0 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.337 -0.392 . . . . 0.0 110.723 179.59 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 19.1 m -64.3 129.94 28.76 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-O 121.111 0.481 . . . . 0.0 110.32 179.874 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . 101.64 -14.55 57.68 Favored Glycine 0 CA--C 1.526 0.769 0 N-CA-C 110.875 -0.89 . . . . 0.0 110.875 -179.81 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 35.4 t -67.41 140.93 57.18 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-O 121.068 0.461 . . . . 0.0 110.559 179.942 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 99.9 mtt180 -101.38 124.89 47.79 Favored 'General case' 0 C--O 1.233 0.197 0 CA-C-O 121.03 0.443 . . . . 0.0 110.477 179.982 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 2.5 m -144.68 170.51 7.37 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.41 179.586 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 34' ' ' GLU . . . . . 0.422 ' O ' ' CG ' ' A' ' 34' ' ' GLU . 8.1 pt-20 -121.32 126.51 49.67 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.349 -0.387 . . . . 0.0 110.578 178.85 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 4.6 t -60.63 135.25 25.56 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.414 0 CA-C-N 116.295 -0.411 . . . . 0.0 110.315 179.939 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 96.6 mt -72.33 128.04 34.87 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.425 0 CA-C-N 116.143 -0.48 . . . . 0.0 111.035 -179.095 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 94.73 -42.25 2.44 Favored Glycine 0 C--N 1.33 0.237 0 N-CA-C 111.252 -0.739 . . . . 0.0 111.252 179.3 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 38' ' ' LYS . . . . . 0.406 ' O ' ' C ' ' A' ' 39' ' ' GLY . 97.3 mttt -154.67 -137.97 0.07 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.567 0.222 . . . . 0.0 110.718 179.822 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 39' ' ' GLY . . . . . 0.489 ' O ' ' O ' ' A' ' 40' ' ' HIS . . . 38.72 80.97 0.02 OUTLIER Glycine 0 CA--C 1.524 0.601 0 N-CA-C 111.11 -0.796 . . . . 0.0 111.11 179.66 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 40' ' ' HIS . . . . . 0.607 ' CE1' ' HZ2' ' A' ' 66' ' ' LYS . 62.6 m80 -45.8 176.46 0.0 OUTLIER 'General case' 0 C--N 1.328 -0.347 0 CA-C-O 120.935 0.397 . . . . 0.0 110.39 -179.588 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 99.9 mtt180 -44.05 146.36 0.63 Allowed 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 116.266 -0.424 . . . . 0.0 110.767 -179.419 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -167.05 160.86 34.67 Favored Glycine 0 CA--C 1.52 0.394 0 N-CA-C 110.832 -0.907 . . . . 0.0 110.832 -179.901 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 5.2 m -113.36 133.34 55.2 Favored 'General case' 0 C--N 1.332 -0.178 0 CA-C-O 120.81 0.338 . . . . 0.0 110.612 -179.726 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 84.2 t -68.8 132.31 33.07 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.345 -179.72 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -123.59 -33.71 3.17 Favored 'General case' 0 CA--C 1.519 -0.223 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.784 -179.949 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 46' ' ' TYR . . . . . . . . . . . . . 87.5 t80 -132.64 123.41 26.33 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.322 -0.399 . . . . 0.0 110.739 -179.835 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 47' ' ' VAL . . . . . . . . . . . . . 3.4 p -127.93 121.98 57.52 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.355 179.765 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 160.41 174.64 30.47 Favored Glycine 0 CA--C 1.524 0.599 0 N-CA-C 110.862 -0.895 . . . . 0.0 110.862 179.79 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -90.94 113.75 26.06 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-O 120.931 0.396 . . . . 0.0 110.474 179.664 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 50' ' ' THR . . . . . 0.494 ' O ' ' O ' ' A' ' 53' ' ' ALA . 60.8 p -76.07 143.66 41.2 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.633 -179.898 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 68.9 mt -70.85 -17.73 62.73 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.601 -179.792 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 52' ' ' PHE . . . . . . . . . . . . . 85.1 t80 -71.12 -23.39 62.08 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.605 -179.676 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 53' ' ' ALA . . . . . 0.494 ' O ' ' O ' ' A' ' 50' ' ' THR . . . -151.35 150.68 30.78 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-N 116.229 -0.442 . . . . 0.0 110.578 -179.941 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 54' ' ' THR . . . . . 0.407 ' O ' ' NE1' ' A' ' 57' ' ' TRP . 73.1 p -78.04 167.71 21.02 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.631 179.894 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . 86.41 -172.73 45.3 Favored Glycine 0 CA--C 1.521 0.438 0 N-CA-C 110.882 -0.887 . . . . 0.0 110.882 -179.898 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 56' ' ' LYS . . . . . 0.686 ' HZ1' HE21 ' A' ' 91' ' ' GLN . 88.8 tttt -103.82 118.09 35.87 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-O 121.028 0.442 . . . . 0.0 110.693 179.853 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 57' ' ' TRP . . . . . 0.407 ' NE1' ' O ' ' A' ' 54' ' ' THR . 63.0 m95 -112.08 142.81 44.06 Favored 'General case' 0 C--O 1.234 0.238 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.455 179.817 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 58' ' ' VAL . . . . . . . . . . . . . 54.7 t -126.91 122.69 60.99 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.153 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.673 179.863 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . -84.0 111.89 3.51 Favored Glycine 0 CA--C 1.521 0.442 0 N-CA-C 110.641 -0.984 . . . . 0.0 110.641 179.71 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 60' ' ' VAL . . . . . . . . . . . . . 46.2 t -113.55 140.49 33.59 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-O 121.134 0.493 . . . . 0.0 110.917 -179.629 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 61' ' ' ILE . . . . . 0.511 ' CD1' ' N ' ' A' ' 61' ' ' ILE . 1.7 mp -98.12 111.82 28.75 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.317 0 CA-C-N 116.112 -0.495 . . . . 0.0 109.733 179.156 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 62' ' ' LEU . . . . . 0.732 ' H ' ' CD2' ' A' ' 62' ' ' LEU . 0.2 OUTLIER -80.65 141.33 35.04 Favored 'General case' 0 C--N 1.324 -0.531 0 CA-C-N 116.258 -0.428 . . . . 0.0 111.319 -179.497 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 32.4 t70 -64.65 -39.11 93.12 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.443 179.85 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 79.5 mm-40 -83.56 160.15 21.5 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.492 179.813 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -68.61 97.55 0.8 Allowed 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.784 -179.942 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 66' ' ' LYS . . . . . 0.607 ' HZ2' ' CE1' ' A' ' 40' ' ' HIS . 67.2 mmtt -109.77 109.25 19.87 Favored 'General case' 0 N--CA 1.465 0.287 0 CA-C-O 121.154 0.502 . . . . 0.0 110.328 179.6 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . -44.03 110.12 0.32 Allowed Glycine 0 N--CA 1.452 -0.245 0 C-N-CA 120.674 -0.774 . . . . 0.0 111.943 -179.254 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 68' ' ' LYS . . . . . 0.44 ' H ' ' HA2' ' A' ' 84' ' ' GLY . 50.1 tptt -168.82 128.19 1.11 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.739 0.304 . . . . 0.0 110.274 179.821 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 69' ' ' ASN . . . . . . . . . . . . . 98.3 m-20 -89.54 121.62 31.92 Favored 'General case' 0 CA--C 1.516 -0.354 0 CA-C-N 116.254 -0.43 . . . . 0.0 111.118 179.826 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 70' ' ' ASP . . . . . 0.526 ' OD2' ' N ' ' A' ' 81' ' ' CYS . 8.0 t70 -122.69 104.32 9.24 Favored 'General case' 0 C--O 1.233 0.195 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.403 179.66 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . 175.05 -162.12 31.74 Favored Glycine 0 CA--C 1.524 0.651 0 N-CA-C 110.904 -0.878 . . . . 0.0 110.904 179.76 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 72' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -55.29 121.84 9.78 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-O 121.024 0.44 . . . . 0.0 110.341 -179.861 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 73' ' ' VAL . . . . . . . . . . . . . 8.5 p -127.94 134.03 66.08 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.191 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.689 -179.779 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 74' ' ' GLN . . . . . . . . . . . . . 87.1 mm-40 53.52 25.8 5.08 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.5 -179.873 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . 80.27 13.87 81.21 Favored Glycine 0 CA--C 1.52 0.353 0 N-CA-C 110.932 -0.867 . . . . 0.0 110.932 179.992 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 76' ' ' ARG . . . . . . . . . . . . . 62.7 ttm-85 -112.86 115.19 28.06 Favored 'General case' 0 C--O 1.233 0.212 0 CA-C-O 121.05 0.452 . . . . 0.0 110.32 -179.804 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 61.3 tttp -106.58 90.12 3.24 Favored 'General case' 0 C--O 1.234 0.242 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.677 179.827 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 78' ' ' TYR . . . . . . . . . . . . . 2.7 m-85 -107.98 -32.67 7.47 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.353 -0.385 . . . . 0.0 110.615 179.701 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 79' ' ' PHE . . . . . . . . . . . . . 35.5 p90 -149.15 148.51 29.73 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.667 -179.542 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 80' ' ' THR . . . . . . . . . . . . . 91.7 m -147.56 136.34 21.99 Favored 'General case' 0 CA--C 1.519 -0.223 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.55 179.928 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 81' ' ' CYS . . . . . 0.526 ' N ' ' OD2' ' A' ' 70' ' ' ASP . 32.5 t -147.1 174.47 11.53 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.434 179.76 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 82' ' ' ASP . . . . . 0.49 ' N ' ' SG ' ' A' ' 81' ' ' CYS . 93.2 m-20 -61.0 140.42 57.83 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.698 -180.0 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 85.4 tt0 -52.65 141.07 21.7 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.235 179.763 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 84' ' ' GLY . . . . . 0.458 ' C ' ' O ' ' A' ' 66' ' ' LYS . . . 85.85 21.49 52.95 Favored Glycine 0 CA--C 1.526 0.725 0 N-CA-C 110.542 -1.023 . . . . 0.0 110.542 -179.615 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 85' ' ' HIS . . . . . 0.435 ' CE1' ' O ' ' A' ' 62' ' ' LEU . 90.7 m-70 -148.11 168.69 21.76 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-O 120.831 0.348 . . . . 0.0 110.626 179.914 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 86' ' ' GLY . . . . . . . . . . . . . . . 91.22 37.91 6.12 Favored Glycine 0 CA--C 1.52 0.374 0 N-CA-C 111.205 -0.758 . . . . 0.0 111.205 179.678 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 87' ' ' ILE . . . . . . . . . . . . . 2.7 mm -68.24 136.17 27.0 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-O 120.905 0.383 . . . . 0.0 110.385 179.885 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 88' ' ' PHE . . . . . 0.527 ' O ' ' CD1' ' A' ' 88' ' ' PHE . 50.1 p90 -90.49 129.83 36.61 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.044 -0.525 . . . . 0.0 110.873 -179.945 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 89' ' ' VAL . . . . . . . . . . . . . 2.8 m -137.17 161.22 35.46 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.175 0 CA-C-N 116.123 -0.489 . . . . 0.0 110.571 179.908 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 90' ' ' ARG . . . . . . . . . . . . . 84.1 mtp180 -97.18 173.16 7.38 Favored 'General case' 0 C--N 1.331 -0.213 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.638 179.849 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 91' ' ' GLN . . . . . 0.686 HE21 ' HZ1' ' A' ' 56' ' ' LYS . 98.2 mt-30 -64.63 -32.35 73.98 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.663 -179.872 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 71.1 m -60.78 -43.87 97.52 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.603 -179.866 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 93' ' ' GLN . . . . . . . . . . . . . 72.2 mm-40 -71.8 -41.45 68.25 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.565 -179.986 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 94' ' ' ILE . . . . . 0.441 ' O ' ' O ' ' A' ' 91' ' ' GLN . 4.7 mm -87.86 120.76 37.44 Favored 'Isoleucine or valine' 0 CA--C 1.518 -0.26 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.653 -179.935 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 95' ' ' GLN . . . . . . . . . . . . . 54.4 tt0 -130.42 127.59 39.61 Favored 'General case' 0 C--N 1.331 -0.207 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.574 -179.797 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 96' ' ' VAL . . . . . . . . . . . . . 23.1 m -74.07 133.45 31.58 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.619 -179.879 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 97' ' ' PHE . . . . . . . . . . . . . 91.3 m-85 . . . . . 0 C--O 1.218 -0.554 0 CA-C-O 118.049 -0.977 . . . . 0.0 110.546 179.972 . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 N--CA 1.486 1.364 0 N-CA-C 109.479 -0.563 . . . . 0.0 109.479 . . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 95.9 mtt-85 -136.28 151.71 49.94 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 115.957 -0.565 . . . . 0.0 110.773 179.544 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 35.8 m -65.96 134.53 29.69 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.393 0 CA-C-N 115.99 -0.55 . . . . 0.0 110.274 179.971 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . 95.31 -14.39 65.18 Favored Glycine 0 CA--C 1.524 0.632 0 N-CA-C 110.759 -0.937 . . . . 0.0 110.759 -179.791 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 46.7 t -67.31 141.24 57.24 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 120.705 0.288 . . . . 0.0 110.401 179.835 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 32' ' ' ARG . . . . . 0.441 HH12 ' NH1' ' A' ' 41' ' ' ARG . 69.1 ttp85 -106.64 123.62 48.39 Favored 'General case' 0 N--CA 1.464 0.253 0 CA-C-O 120.865 0.364 . . . . 0.0 110.444 179.85 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 2.8 m -145.86 165.74 9.67 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.232 0 CA-C-N 115.988 -0.551 . . . . 0.0 110.354 179.781 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 34' ' ' GLU . . . . . 0.435 ' O ' ' CG ' ' A' ' 34' ' ' GLU . 8.4 pt-20 -113.27 126.14 55.08 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.177 179.174 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 35' ' ' VAL . . . . . 0.403 ' O ' ' O ' ' A' ' 38' ' ' LYS . 15.0 t -65.23 133.81 30.18 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 N-CA-C 109.93 -0.396 . . . . 0.0 109.93 -179.975 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 25.4 mm -74.84 132.22 33.7 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.51 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.888 -179.243 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 93.31 -36.58 3.67 Favored Glycine 0 CA--C 1.525 0.674 0 N-CA-C 111.049 -0.82 . . . . 0.0 111.049 179.554 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 38' ' ' LYS . . . . . 0.403 ' O ' ' O ' ' A' ' 35' ' ' VAL . 59.9 pttt -161.28 -142.97 0.09 Allowed 'General case' 0 C--N 1.328 -0.352 0 N-CA-C 110.228 -0.286 . . . . 0.0 110.228 179.991 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 39' ' ' GLY . . . . . 0.463 ' O ' ' O ' ' A' ' 40' ' ' HIS . . . 37.65 78.39 0.05 OUTLIER Glycine 0 CA--C 1.524 0.631 0 N-CA-C 111.279 -0.729 . . . . 0.0 111.279 179.739 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 40' ' ' HIS . . . . . 0.537 ' CE1' ' NZ ' ' A' ' 66' ' ' LYS . 57.1 m170 -45.57 175.84 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.893 0.378 . . . . 0.0 110.6 -179.797 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 41' ' ' ARG . . . . . 0.441 ' NH1' HH12 ' A' ' 32' ' ' ARG . 90.9 mtt-85 -44.91 144.84 1.07 Allowed 'General case' 0 C--N 1.326 -0.418 0 CA-C-N 116.331 -0.395 . . . . 0.0 110.747 -179.675 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -167.83 170.84 42.06 Favored Glycine 0 CA--C 1.523 0.543 0 N-CA-C 110.764 -0.934 . . . . 0.0 110.764 -179.708 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 58.5 m -121.81 131.74 54.22 Favored 'General case' 0 N--CA 1.465 0.322 0 CA-C-O 120.921 0.391 . . . . 0.0 110.531 -179.69 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 90.4 t -68.5 132.58 32.76 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.251 0 CA-C-N 116.038 -0.528 . . . . 0.0 110.204 -179.723 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -124.8 -46.17 1.86 Allowed 'General case' 0 N--CA 1.463 0.188 0 CA-C-N 116.359 -0.382 . . . . 0.0 110.439 -179.768 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 46' ' ' TYR . . . . . . . . . . . . . 74.4 t80 -117.19 120.04 37.05 Favored 'General case' 0 N--CA 1.467 0.411 0 CA-C-N 116.385 -0.37 . . . . 0.0 110.285 179.875 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 47' ' ' VAL . . . . . . . . . . . . . 2.7 p -132.71 123.35 48.91 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.205 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.444 179.925 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 160.51 -179.78 35.8 Favored Glycine 0 CA--C 1.521 0.461 0 N-CA-C 110.682 -0.967 . . . . 0.0 110.682 179.439 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -99.56 112.81 24.97 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.808 0.337 . . . . 0.0 110.33 179.463 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 50' ' ' THR . . . . . 0.408 ' O ' ' O ' ' A' ' 53' ' ' ALA . 76.6 p -78.7 145.87 34.28 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.091 -0.504 . . . . 0.0 110.485 179.85 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 51' ' ' LEU . . . . . 0.513 ' CD2' ' N ' ' A' ' 51' ' ' LEU . 3.9 mm? -67.23 -15.09 63.49 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.471 -179.885 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 52' ' ' PHE . . . . . . . . . . . . . 80.8 t80 -69.93 -29.46 66.63 Favored 'General case' 0 C--N 1.325 -0.496 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.404 -180.0 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 53' ' ' ALA . . . . . 0.408 ' O ' ' O ' ' A' ' 50' ' ' THR . . . -151.48 145.79 25.45 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-O 120.851 0.358 . . . . 0.0 110.419 179.759 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 54' ' ' THR . . . . . . . . . . . . . 32.5 m -80.63 160.53 25.04 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.364 -179.889 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . 106.5 -138.58 14.47 Favored Glycine 0 N--CA 1.463 0.461 0 N-CA-C 110.604 -0.998 . . . . 0.0 110.604 179.939 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 88.6 tttt -136.56 119.02 15.8 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.785 0.326 . . . . 0.0 110.388 -179.946 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 57' ' ' TRP . . . . . . . . . . . . . 20.5 m95 -112.86 132.42 55.3 Favored 'General case' 0 N--CA 1.464 0.241 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.124 179.708 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 58' ' ' VAL . . . . . . . . . . . . . 59.0 t -124.95 125.54 69.78 Favored 'Isoleucine or valine' 0 N--CA 1.462 0.154 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.447 179.888 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . -98.23 113.17 4.65 Favored Glycine 0 CA--C 1.52 0.399 0 N-CA-C 110.093 -1.203 . . . . 0.0 110.093 179.569 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 60' ' ' VAL . . . . . . . . . . . . . 20.5 t -111.12 130.91 63.73 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.282 0 CA-C-O 121.107 0.479 . . . . 0.0 110.697 -179.523 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 61' ' ' ILE . . . . . 0.537 ' N ' ' CD1' ' A' ' 61' ' ' ILE . 1.6 mp -85.03 103.46 12.21 Favored 'Isoleucine or valine' 0 CA--C 1.517 -0.292 0 CA-C-N 115.927 -0.578 . . . . 0.0 109.528 179.157 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 62' ' ' LEU . . . . . 0.543 ' O ' ' ND1' ' A' ' 85' ' ' HIS . 7.8 mt -75.08 144.78 42.77 Favored 'General case' 0 C--N 1.321 -0.651 0 CA-C-N 115.978 -0.555 . . . . 0.0 111.043 -179.323 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 63' ' ' ASP . . . . . 0.454 ' OD1' ' N ' ' A' ' 63' ' ' ASP . 29.9 p-10 -74.73 -40.86 61.03 Favored 'General case' 0 C--N 1.325 -0.493 0 CA-C-N 116.06 -0.518 . . . . 0.0 110.804 179.384 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 64' ' ' GLU . . . . . 0.431 ' N ' ' OD1' ' A' ' 63' ' ' ASP . 41.5 tp10 -79.18 149.45 31.96 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.23 179.994 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -59.23 95.87 0.03 OUTLIER 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.38 -0.373 . . . . 0.0 110.787 179.967 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 66' ' ' LYS . . . . . 0.537 ' NZ ' ' CE1' ' A' ' 40' ' ' HIS . 18.3 tptt -109.57 112.06 23.93 Favored 'General case' 0 N--CA 1.461 0.079 0 CA-C-O 121.538 0.685 . . . . 0.0 109.887 179.885 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . -45.44 105.41 0.09 OUTLIER Glycine 0 N--CA 1.445 -0.709 0 C-N-CA 120.436 -0.887 . . . . 0.0 111.945 -179.342 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 52.7 tptt -165.49 133.16 2.99 Favored 'General case' 0 C--N 1.323 -0.556 0 CA-C-N 115.388 -0.406 . . . . 0.0 110.509 179.14 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 69' ' ' ASN . . . . . . . . . . . . . 31.3 p-10 -100.48 123.61 44.93 Favored 'General case' 0 N--CA 1.464 0.253 0 CA-C-N 116.324 -0.398 . . . . 0.0 110.821 179.215 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 -121.88 103.15 8.64 Favored 'General case' 0 N--CA 1.469 0.475 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.3 179.425 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . -176.79 -150.4 8.26 Favored Glycine 0 CA--C 1.524 0.603 0 N-CA-C 110.964 -0.854 . . . . 0.0 110.964 179.684 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 72' ' ' THR . . . . . . . . . . . . . 1.7 p -77.06 125.13 28.82 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-O 120.853 0.358 . . . . 0.0 110.412 -179.679 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 73' ' ' VAL . . . . . . . . . . . . . 16.3 m -143.18 147.64 20.22 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.456 179.917 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 74' ' ' GLN . . . . . . . . . . . . . 98.9 mm-40 56.13 19.51 3.84 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.609 179.996 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . 77.03 16.88 80.36 Favored Glycine 0 CA--C 1.523 0.584 0 N-CA-C 111.026 -0.83 . . . . 0.0 111.026 179.64 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 76' ' ' ARG . . . . . . . . . . . . . 96.5 mtt-85 -128.72 134.44 48.46 Favored 'General case' 0 N--CA 1.464 0.271 0 CA-C-O 120.913 0.387 . . . . 0.0 110.054 -179.907 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 63.1 tttm -104.27 104.08 13.93 Favored 'General case' 0 C--N 1.331 -0.203 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.495 179.9 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 78' ' ' TYR . . . . . . . . . . . . . 88.1 m-85 -90.82 -52.02 5.07 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.515 179.503 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 79' ' ' PHE . . . . . . . . . . . . . 3.2 p90 -156.76 161.97 39.77 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.338 -179.976 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 80' ' ' THR . . . . . . . . . . . . . 92.9 m -127.86 129.12 46.4 Favored 'General case' 0 N--CA 1.466 0.342 0 CA-C-N 116.085 -0.507 . . . . 0.0 110.678 179.978 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 81' ' ' CYS . . . . . . . . . . . . . 10.3 m -154.09 154.99 34.61 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.005 -0.543 . . . . 0.0 110.142 179.674 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 82' ' ' ASP . . . . . . . . . . . . . 90.9 m-20 -56.2 138.18 50.58 Favored 'General case' 0 C--O 1.237 0.403 0 CA-C-O 121.296 0.569 . . . . 0.0 110.399 -179.861 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 82.1 tt0 -57.9 131.37 50.2 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 115.845 -0.616 . . . . 0.0 109.926 -179.776 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 84' ' ' GLY . . . . . 0.463 ' O ' ' O ' ' A' ' 66' ' ' LYS . . . 115.46 -8.69 20.07 Favored Glycine 0 CA--C 1.523 0.548 0 N-CA-C 110.549 -1.02 . . . . 0.0 110.549 -179.753 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 85' ' ' HIS . . . . . 0.543 ' ND1' ' O ' ' A' ' 62' ' ' LEU . 14.2 m-70 -139.81 168.28 20.19 Favored 'General case' 0 N--CA 1.463 0.224 0 CA-C-O 120.707 0.289 . . . . 0.0 110.472 -179.966 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 86' ' ' GLY . . . . . . . . . . . . . . . 95.9 44.23 3.14 Favored Glycine 0 CA--C 1.522 0.523 0 N-CA-C 111.019 -0.833 . . . . 0.0 111.019 179.786 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 87' ' ' ILE . . . . . . . . . . . . . 7.2 tp -73.18 145.44 11.74 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.421 0 CA-C-O 120.745 0.307 . . . . 0.0 110.609 -179.855 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 88' ' ' PHE . . . . . 0.538 ' CD2' ' O ' ' A' ' 88' ' ' PHE . 52.3 p90 -92.83 121.3 34.07 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-O 120.907 0.384 . . . . 0.0 110.178 179.566 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 89' ' ' VAL . . . . . . . . . . . . . 11.9 m -138.3 167.26 21.95 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.085 -0.507 . . . . 0.0 110.404 -179.775 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 90' ' ' ARG . . . . . . . . . . . . . 86.7 mtm-85 -112.74 179.1 4.07 Favored 'General case' 0 N--CA 1.465 0.301 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.28 -179.854 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 91' ' ' GLN . . . . . 0.448 ' O ' ' O ' ' A' ' 94' ' ' ILE . 87.8 mt-30 -66.26 -32.34 73.7 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.048 -0.524 . . . . 0.0 110.497 179.792 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 10.7 t -61.56 -42.21 98.5 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.6 179.866 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 93' ' ' GLN . . . . . . . . . . . . . 7.8 mm100 -69.39 -38.39 77.95 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.518 -179.701 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 94' ' ' ILE . . . . . 0.448 ' O ' ' O ' ' A' ' 91' ' ' GLN . 96.4 mt -91.61 120.96 41.59 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.498 179.721 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 95' ' ' GLN . . . . . . . . . . . . . 98.8 mm-40 -107.83 114.95 29.27 Favored 'General case' 0 N--CA 1.465 0.288 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.131 179.406 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 96' ' ' VAL . . . . . . . . . . . . . 86.2 t -70.93 133.17 32.33 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 115.862 -0.608 . . . . 0.0 110.204 -179.846 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 97' ' ' PHE . . . . . . . . . . . . . 92.7 t80 . . . . . 0 C--O 1.219 -0.517 0 CA-C-O 118.141 -0.933 . . . . 0.0 110.453 179.856 . . . . . . . . 0 0 . 1 . 001 nuclear build core ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 84.3 mtp180 . . . . . 0 N--CA 1.464 0.259 0 CA-C-O 121.107 0.479 . . . . 0.0 110.673 . . . . . . . . . 0 0 . 1 . 001 nuclear build core ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 7.5 p -66.41 134.13 30.32 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.382 0 CA-C-N 116.048 -0.524 . . . . 0.0 110.166 -179.97 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . 103.5 -17.77 49.66 Favored Glycine 0 CA--C 1.526 0.724 0 N-CA-C 110.747 -0.941 . . . . 0.0 110.747 -179.748 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 26.7 p -72.31 154.32 41.02 Favored 'General case' 0 C--N 1.329 -0.283 0 N-CA-C 110.179 -0.304 . . . . 0.0 110.179 179.895 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 76.0 ttt180 -112.83 123.76 51.05 Favored 'General case' 0 N--CA 1.464 0.271 0 CA-C-O 120.9 0.381 . . . . 0.0 110.483 179.876 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 2.9 m -143.97 167.55 12.21 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 115.954 -0.566 . . . . 0.0 110.264 -179.855 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 84.6 tt0 -108.79 120.5 42.68 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.023 179.041 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 47.0 t -62.74 143.43 15.47 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.181 -179.99 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 19.2 mm -81.33 130.76 35.3 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.441 0 CA-C-N 116.105 -0.498 . . . . 0.0 111.08 -179.302 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 92.82 -38.04 3.26 Favored Glycine 0 CA--C 1.523 0.555 0 N-CA-C 111.122 -0.791 . . . . 0.0 111.122 179.628 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 38' ' ' LYS . . . . . 0.403 ' HG2' ' H ' ' A' ' 39' ' ' GLY . 44.1 tttm -161.83 -136.23 0.03 OUTLIER 'General case' 0 C--N 1.327 -0.381 0 C-N-CA 120.965 -0.294 . . . . 0.0 110.353 179.813 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 39' ' ' GLY . . . . . 0.465 ' O ' ' O ' ' A' ' 40' ' ' HIS . . . 37.77 77.67 0.06 OUTLIER Glycine 0 CA--C 1.523 0.592 0 N-CA-C 111.221 -0.752 . . . . 0.0 111.221 179.852 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 40' ' ' HIS . . . . . 0.539 ' CG ' ' H ' ' A' ' 41' ' ' ARG . 32.2 t-80 -45.59 175.56 0.0 OUTLIER 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 120.888 0.375 . . . . 0.0 110.5 -179.685 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 41' ' ' ARG . . . . . 0.539 ' H ' ' CG ' ' A' ' 40' ' ' HIS . 84.4 mtp180 -46.15 140.5 3.89 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.677 -179.74 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -165.92 168.9 39.95 Favored Glycine 0 CA--C 1.522 0.513 0 N-CA-C 110.69 -0.964 . . . . 0.0 110.69 179.981 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 89.9 m -119.34 131.44 55.71 Favored 'General case' 0 N--CA 1.466 0.331 0 CA-C-O 120.902 0.382 . . . . 0.0 110.623 -179.808 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 95.8 t -65.97 129.92 30.77 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.02 -0.536 . . . . 0.0 109.826 -179.925 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 45' ' ' ALA . . . . . 0.498 ' HB2' HD13 ' A' ' 61' ' ' ILE . . . -112.19 -41.77 3.87 Favored 'General case' 0 N--CA 1.465 0.292 0 CA-C-N 116.288 -0.415 . . . . 0.0 110.707 -179.747 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 46' ' ' TYR . . . . . . . . . . . . . 88.4 t80 -136.8 129.78 30.89 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.394 -0.366 . . . . 0.0 110.797 -179.786 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 47' ' ' VAL . . . . . . . . . . . . . 1.6 p -129.64 124.92 60.32 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.234 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.442 179.669 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 160.96 -168.4 36.29 Favored Glycine 0 CA--C 1.519 0.333 0 N-CA-C 110.566 -1.014 . . . . 0.0 110.566 179.48 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -114.3 114.17 25.57 Favored 'General case' 0 N--CA 1.464 0.235 0 CA-C-O 120.872 0.368 . . . . 0.0 110.211 179.575 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 50' ' ' THR . . . . . 0.464 ' O ' ' O ' ' A' ' 53' ' ' ALA . 45.4 p -82.25 146.06 29.68 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.52 -179.956 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 63.4 mt -66.24 -22.0 66.31 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.55 179.962 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 52' ' ' PHE . . . . . . . . . . . . . 68.7 t80 -69.09 -28.67 66.71 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-N 116.136 -0.483 . . . . 0.0 110.723 -179.652 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 53' ' ' ALA . . . . . 0.464 ' O ' ' O ' ' A' ' 50' ' ' THR . . . -137.15 139.26 41.04 Favored 'General case' 0 N--CA 1.465 0.278 0 CA-C-O 120.96 0.409 . . . . 0.0 110.559 179.946 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 54' ' ' THR . . . . . 0.551 HG22 ' N ' ' A' ' 55' ' ' GLY . 43.3 m -79.36 161.1 26.42 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.661 -179.745 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 55' ' ' GLY . . . . . 0.551 ' N ' HG22 ' A' ' 54' ' ' THR . . . 86.35 -161.2 33.88 Favored Glycine 0 CA--C 1.52 0.374 0 N-CA-C 110.629 -0.988 . . . . 0.0 110.629 179.909 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 64.9 tttp -110.16 135.55 50.77 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-O 120.719 0.295 . . . . 0.0 110.427 179.882 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 57' ' ' TRP . . . . . . . . . . . . . 92.6 m95 -138.08 142.48 40.26 Favored 'General case' 0 C--O 1.234 0.277 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.177 179.998 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 58' ' ' VAL . . . . . . . . . . . . . 55.4 t -124.95 128.97 73.5 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.227 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.514 -179.943 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . -90.86 119.13 5.55 Favored Glycine 0 N--CA 1.459 0.213 0 N-CA-C 109.967 -1.253 . . . . 0.0 109.967 179.381 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 60' ' ' VAL . . . . . 0.453 ' C ' HD12 ' A' ' 61' ' ' ILE . 39.9 t -119.73 139.13 48.07 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.234 0 CA-C-O 121.103 0.478 . . . . 0.0 110.778 -179.345 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 61' ' ' ILE . . . . . 0.599 HD12 ' N ' ' A' ' 61' ' ' ILE . 1.7 mp -99.49 110.08 25.91 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.236 0 N-CA-C 108.943 -0.762 . . . . 0.0 108.943 178.92 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 62' ' ' LEU . . . . . 0.997 HD22 ' H ' ' A' ' 62' ' ' LEU . 0.4 OUTLIER -76.11 145.31 40.1 Favored 'General case' 0 C--N 1.322 -0.598 0 CA-C-N 115.62 -0.718 . . . . 0.0 111.244 -179.621 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 58.6 t0 -64.31 -36.49 84.27 Favored 'General case' 0 N--CA 1.449 -0.498 0 CA-C-N 115.729 -0.669 . . . . 0.0 110.303 179.879 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 97.9 mt-10 -91.47 177.59 6.19 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 115.994 -0.548 . . . . 0.0 110.374 179.871 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -79.73 100.24 7.81 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.827 -179.744 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 66' ' ' LYS . . . . . 0.458 ' O ' ' O ' ' A' ' 84' ' ' GLY . 13.7 tptt -103.26 107.29 18.06 Favored 'General case' 0 N--CA 1.466 0.365 0 N-CA-C 109.662 -0.496 . . . . 0.0 109.662 179.972 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . -42.76 103.21 0.04 OUTLIER Glycine 0 C--N 1.315 -0.595 0 C-N-CA 120.449 -0.881 . . . . 0.0 112.114 -179.252 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 29.0 tptp -166.14 134.71 3.01 Favored 'General case' 0 N--CA 1.449 -0.493 0 CA-C-N 115.041 -0.579 . . . . 0.0 110.889 179.185 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 69' ' ' ASN . . . . . . . . . . . . . 58.9 t30 -91.1 119.19 31.04 Favored 'General case' 0 C--O 1.232 0.168 0 CA-C-N 116.298 -0.41 . . . . 0.0 110.4 179.013 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 70' ' ' ASP . . . . . 0.551 ' OD2' ' N ' ' A' ' 81' ' ' CYS . 10.7 t70 -122.01 103.77 9.05 Favored 'General case' 0 N--CA 1.465 0.293 0 CA-C-N 116.408 -0.36 . . . . 0.0 110.549 179.755 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . 175.33 -154.12 17.11 Favored Glycine 0 CA--C 1.523 0.573 0 N-CA-C 110.897 -0.881 . . . . 0.0 110.897 179.887 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 72' ' ' THR . . . . . 0.427 ' H ' HG22 ' A' ' 72' ' ' THR . 0.0 OUTLIER -52.49 111.48 0.65 Allowed 'General case' 0 C--N 1.33 -0.265 0 CA-C-O 120.784 0.326 . . . . 0.0 110.228 -179.978 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 73' ' ' VAL . . . . . . . . . . . . . 13.7 p -121.14 134.3 64.97 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.237 0 CA-C-N 116.294 -0.412 . . . . 0.0 110.539 -179.795 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 74' ' ' GLN . . . . . . . . . . . . . 84.3 mm-40 55.76 19.38 3.4 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 115.974 -0.557 . . . . 0.0 110.804 -179.658 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . 85.38 0.48 88.35 Favored Glycine 0 CA--C 1.523 0.568 0 N-CA-C 111.167 -0.773 . . . . 0.0 111.167 179.753 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 76' ' ' ARG . . . . . . . . . . . . . 93.4 mtm-85 -105.64 123.13 47.41 Favored 'General case' 0 N--CA 1.463 0.203 0 CA-C-O 120.767 0.317 . . . . 0.0 110.274 179.707 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 65.1 tttm -105.29 90.3 3.38 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.253 -0.431 . . . . 0.0 110.131 179.731 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 78' ' ' TYR . . . . . . . . . . . . . 31.2 t80 -107.5 -27.4 10.43 Favored 'General case' 0 N--CA 1.465 0.307 0 CA-C-N 116.309 -0.405 . . . . 0.0 110.413 -179.905 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 79' ' ' PHE . . . . . . . . . . . . . 38.7 p90 -148.38 154.29 39.74 Favored 'General case' 0 C--N 1.331 -0.198 0 CA-C-N 116.333 -0.394 . . . . 0.0 110.646 -179.927 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 80' ' ' THR . . . . . . . . . . . . . 71.0 m -153.71 133.44 13.02 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.625 -179.916 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 81' ' ' CYS . . . . . 0.551 ' N ' ' OD2' ' A' ' 70' ' ' ASP . 8.8 t -142.41 178.21 7.74 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.341 -0.39 . . . . 0.0 110.31 -179.966 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 82' ' ' ASP . . . . . 0.511 ' O ' ' ND1' ' A' ' 85' ' ' HIS . 90.2 m-20 -66.99 142.55 57.2 Favored 'General case' 0 C--N 1.324 -0.529 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.594 -179.796 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 95.9 mt-10 -54.39 120.67 6.91 Favored 'General case' 0 CA--C 1.516 -0.357 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.13 179.945 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 84' ' ' GLY . . . . . 0.458 ' O ' ' O ' ' A' ' 66' ' ' LYS . . . 106.21 14.48 20.38 Favored Glycine 0 CA--C 1.526 0.764 0 N-CA-C 110.738 -0.945 . . . . 0.0 110.738 179.979 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 85' ' ' HIS . . . . . 0.537 ' N ' ' ND1' ' A' ' 85' ' ' HIS . 0.9 OUTLIER -136.77 169.13 18.24 Favored 'General case' 0 N--CA 1.464 0.254 0 O-C-N 122.644 -0.327 . . . . 0.0 110.671 179.992 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 86' ' ' GLY . . . . . . . . . . . . . . . 84.35 45.69 6.09 Favored Glycine 0 C--N 1.336 0.542 0 N-CA-C 111.177 -0.769 . . . . 0.0 111.177 179.69 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 87' ' ' ILE . . . . . 0.661 HG22 HD21 ' A' ' 62' ' ' LEU . 18.4 tt -83.36 130.34 35.94 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.345 0 CA-C-O 120.88 0.371 . . . . 0.0 110.43 -179.973 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 88' ' ' PHE . . . . . 0.412 ' CD1' ' O ' ' A' ' 88' ' ' PHE . 50.8 p90 -78.28 136.45 37.75 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.045 -0.525 . . . . 0.0 110.899 -179.588 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 89' ' ' VAL . . . . . . . . . . . . . 27.0 m -142.98 158.24 17.93 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.258 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.377 179.604 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 90' ' ' ARG . . . . . . . . . . . . . 83.8 mtp180 -84.8 158.17 20.76 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.48 179.857 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 91' ' ' GLN . . . . . . . . . . . . . 52.9 tt0 -62.05 -41.17 97.84 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.428 -179.849 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 59.5 m -68.44 -33.24 73.84 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.751 179.948 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 93' ' ' GLN . . . . . . . . . . . . . 64.5 tp60 -68.17 -40.08 82.38 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.617 -179.259 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 94' ' ' ILE . . . . . 0.506 HG23 ' O ' ' A' ' 94' ' ' ILE . 20.2 tt -93.81 127.66 45.7 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.26 0 CA-C-N 116.44 -0.345 . . . . 0.0 110.264 179.863 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 95' ' ' GLN . . . . . . . . . . . . . 51.5 tt0 -97.28 131.54 43.89 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.31 179.951 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 96' ' ' VAL . . . . . . . . . . . . . 6.1 p -67.77 138.86 21.85 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.026 -0.534 . . . . 0.0 110.522 -179.854 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 97' ' ' PHE . . . . . . . . . . . . . 80.5 t80 . . . . . 0 C--O 1.22 -0.471 0 CA-C-O 118.118 -0.944 . . . . 0.0 110.554 -179.955 . . . . . . . . 0 0 . 1 . 002 nuclear build core ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 87.4 mtm180 . . . . . 0 C--O 1.231 0.119 0 CA-C-O 120.821 0.344 . . . . 0.0 110.663 . . . . . . . . . 0 0 . 1 . 002 nuclear build core ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 30.7 m -66.96 132.61 32.2 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.5 -179.981 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . 94.74 -9.1 71.11 Favored Glycine 0 CA--C 1.524 0.611 0 N-CA-C 110.996 -0.842 . . . . 0.0 110.996 179.956 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 35.9 m -71.88 138.97 48.59 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-O 120.916 0.388 . . . . 0.0 110.465 -179.936 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 13.7 ptm180 -97.46 125.71 42.29 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.54 -179.878 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 2.5 m -138.55 167.66 20.9 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.529 179.817 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 84.5 tt0 -108.74 114.1 27.62 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.357 179.428 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 11.1 t -61.78 146.28 12.24 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.458 -179.898 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 93.2 mt -81.04 131.5 33.76 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.956 -179.071 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 91.95 -39.8 2.99 Favored Glycine 0 CA--C 1.522 0.477 0 N-CA-C 111.231 -0.748 . . . . 0.0 111.231 179.055 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 38' ' ' LYS . . . . . 0.402 ' O ' ' C ' ' A' ' 39' ' ' GLY . 29.0 ttmt -163.02 -132.8 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.947 0.403 . . . . 0.0 110.536 179.756 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 39' ' ' GLY . . . . . 0.436 ' O ' ' O ' ' A' ' 40' ' ' HIS . . . 38.42 75.76 0.09 OUTLIER Glycine 0 CA--C 1.526 0.723 0 N-CA-C 111.112 -0.795 . . . . 0.0 111.112 179.567 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 40' ' ' HIS . . . . . 0.436 ' O ' ' O ' ' A' ' 39' ' ' GLY . 4.8 m80 -46.92 177.63 0.0 OUTLIER 'General case' 0 C--N 1.327 -0.385 0 CA-C-O 120.828 0.347 . . . . 0.0 110.478 179.819 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 96.2 mtt180 -44.68 139.47 2.9 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.628 -179.483 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -165.71 154.2 24.71 Favored Glycine 0 CA--C 1.523 0.537 0 N-CA-C 110.939 -0.865 . . . . 0.0 110.939 179.977 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 16.6 p -100.67 140.74 34.52 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-O 120.753 0.311 . . . . 0.0 110.551 179.767 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 96.3 t -75.06 130.62 36.01 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.319 179.726 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -123.44 -28.88 3.87 Favored 'General case' 0 C--N 1.331 -0.203 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.622 -179.923 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 46' ' ' TYR . . . . . . . . . . . . . 68.8 t80 -136.99 120.92 17.59 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.288 -0.415 . . . . 0.0 110.646 -179.936 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 47' ' ' VAL . . . . . . . . . . . . . 2.2 p -130.53 123.22 54.67 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.416 179.806 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 160.25 -165.89 35.02 Favored Glycine 0 CA--C 1.522 0.501 0 N-CA-C 110.859 -0.896 . . . . 0.0 110.859 -179.991 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -105.55 137.29 43.63 Favored 'General case' 0 C--N 1.332 -0.193 0 CA-C-O 120.867 0.365 . . . . 0.0 110.46 179.756 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 50' ' ' THR . . . . . 0.466 ' O ' ' O ' ' A' ' 53' ' ' ALA . 31.8 p -111.22 145.19 39.15 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.638 -179.925 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 51' ' ' LEU . . . . . 0.469 ' CD2' HH12 ' A' ' 76' ' ' ARG . 33.0 tp -65.67 -21.17 66.53 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.493 179.988 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 52' ' ' PHE . . . . . . . . . . . . . 90.8 t80 -67.83 -27.9 67.1 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.549 -179.035 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 53' ' ' ALA . . . . . 0.466 ' O ' ' O ' ' A' ' 50' ' ' THR . . . -151.37 145.03 24.99 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.299 -0.409 . . . . 0.0 110.644 -179.939 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 54' ' ' THR . . . . . . . . . . . . . 12.9 p -83.08 170.2 15.07 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.28 -0.418 . . . . 0.0 110.588 -179.992 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . 89.09 -155.0 24.92 Favored Glycine 0 CA--C 1.523 0.565 0 N-CA-C 110.794 -0.923 . . . . 0.0 110.794 -179.695 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 42.9 tptt -112.78 124.76 53.32 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-O 120.97 0.414 . . . . 0.0 110.445 179.895 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 57' ' ' TRP . . . . . . . . . . . . . 97.9 m95 -126.47 141.19 51.97 Favored 'General case' 0 C--O 1.234 0.261 0 CA-C-N 116.251 -0.432 . . . . 0.0 110.611 179.919 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 58' ' ' VAL . . . . . . . . . . . . . 75.1 t -128.62 130.37 68.89 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.242 0 CA-C-N 116.305 -0.407 . . . . 0.0 110.558 179.979 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . -90.85 109.94 3.75 Favored Glycine 0 CA--C 1.525 0.717 0 N-CA-C 110.479 -1.049 . . . . 0.0 110.479 179.28 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 60' ' ' VAL . . . . . . . . . . . . . 11.0 t -105.98 134.52 47.29 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.248 0 CA-C-O 120.922 0.391 . . . . 0.0 110.952 -179.218 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 61' ' ' ILE . . . . . 0.413 ' N ' HD13 ' A' ' 61' ' ' ILE . 5.4 mm -91.6 94.26 4.75 Favored 'Isoleucine or valine' 0 N--CA 1.463 0.197 0 CA-C-N 116.173 -0.467 . . . . 0.0 109.992 179.457 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 62' ' ' LEU . . . . . 0.69 HD12 ' CB ' ' A' ' 66' ' ' LYS . 5.0 mt -68.38 135.48 51.85 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.083 -0.508 . . . . 0.0 110.71 -178.947 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 63.6 t0 -62.57 -40.94 98.47 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.424 179.866 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 64' ' ' GLU . . . . . 0.628 ' CD ' ' H ' ' A' ' 64' ' ' GLU . 0.9 OUTLIER -82.73 143.69 30.72 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.365 179.594 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -57.85 94.75 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.082 -0.508 . . . . 0.0 110.78 -179.628 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 66' ' ' LYS . . . . . 0.69 ' CB ' HD12 ' A' ' 62' ' ' LEU . 4.9 tptp -101.62 115.18 29.94 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 116.27 -0.423 . . . . 0.0 109.937 179.72 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . -44.29 105.51 0.08 OUTLIER Glycine 0 CA--C 1.519 0.296 0 C-N-CA 120.747 -0.74 . . . . 0.0 111.664 -178.483 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 6.1 tmtt? -171.54 129.52 0.68 Allowed 'General case' 0 C--N 1.331 -0.232 0 C-N-CA 121.064 -0.255 . . . . 0.0 110.508 179.639 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 69' ' ' ASN . . . . . . . . . . . . . 99.0 m-20 -85.11 120.54 26.72 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-O 120.988 0.423 . . . . 0.0 110.578 179.761 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 70' ' ' ASP . . . . . 0.499 ' OD1' ' N ' ' A' ' 81' ' ' CYS . 8.4 t70 -120.64 103.04 8.82 Favored 'General case' 0 C--N 1.332 -0.174 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.496 179.889 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . 179.71 -149.23 8.49 Favored Glycine 0 CA--C 1.526 0.721 0 N-CA-C 110.876 -0.89 . . . . 0.0 110.876 -179.757 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 72' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -63.53 125.88 25.68 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.806 0.336 . . . . 0.0 110.544 -179.636 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 73' ' ' VAL . . . . . . . . . . . . . 51.9 t -120.9 132.06 71.36 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.244 0 CA-C-N 116.297 -0.411 . . . . 0.0 110.407 -179.963 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 74' ' ' GLN . . . . . . . . . . . . . 97.3 mm-40 55.25 22.85 5.02 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.541 -179.905 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . 86.78 -0.41 86.48 Favored Glycine 0 CA--C 1.522 0.481 0 N-CA-C 110.956 -0.858 . . . . 0.0 110.956 179.9 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 76' ' ' ARG . . . . . 0.469 HH12 ' CD2' ' A' ' 51' ' ' LEU . 99.8 mtt180 -102.05 124.35 47.51 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-O 120.886 0.374 . . . . 0.0 110.503 -179.788 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 77.9 tttt -105.88 116.18 31.5 Favored 'General case' 0 C--N 1.331 -0.204 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.731 -179.813 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 78' ' ' TYR . . . . . . . . . . . . . 53.0 m-85 -122.3 -34.16 3.34 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.297 -0.411 . . . . 0.0 110.563 179.768 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 79' ' ' PHE . . . . . . . . . . . . . 8.2 p90 -154.1 152.73 30.78 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.586 179.956 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 80' ' ' THR . . . . . . . . . . . . . 91.9 m -136.73 132.84 35.39 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.771 -179.785 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 81' ' ' CYS . . . . . 0.499 ' N ' ' OD1' ' A' ' 70' ' ' ASP . 8.5 m -146.22 153.31 40.47 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.4 179.679 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 82' ' ' ASP . . . . . . . . . . . . . 96.9 m-20 -55.14 141.34 35.2 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.276 -0.42 . . . . 0.0 110.558 -179.535 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 97.5 mt-10 -52.32 139.32 24.62 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.524 179.875 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 84' ' ' GLY . . . . . 0.548 ' O ' ' N ' ' A' ' 66' ' ' LYS . . . 104.38 -14.05 51.13 Favored Glycine 0 CA--C 1.524 0.642 0 N-CA-C 110.866 -0.894 . . . . 0.0 110.866 -179.483 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 85' ' ' HIS . . . . . 0.754 ' ND1' ' N ' ' A' ' 85' ' ' HIS . 0.0 OUTLIER -124.68 166.66 15.74 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-O 120.841 0.353 . . . . 0.0 110.361 179.989 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 86' ' ' GLY . . . . . . . . . . . . . . . 84.53 69.21 1.37 Allowed Glycine 0 CA--C 1.52 0.384 0 N-CA-C 111.146 -0.782 . . . . 0.0 111.146 179.562 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 87' ' ' ILE . . . . . 0.501 HG21 HD11 ' A' ' 62' ' ' LEU . 12.5 tt -109.8 134.34 52.23 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-O 120.821 0.344 . . . . 0.0 110.562 179.939 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 88' ' ' PHE . . . . . . . . . . . . . 42.3 m-85 -80.55 134.45 35.93 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.52 -179.68 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 89' ' ' VAL . . . . . . . . . . . . . 35.6 m -135.88 158.88 39.46 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.202 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.445 179.997 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 90' ' ' ARG . . . . . . . . . . . . . 89.9 mtm180 -86.22 171.01 11.6 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.601 -179.958 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 91' ' ' GLN . . . . . . . . . . . . . 58.1 tt0 -64.14 -40.57 96.45 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.742 -179.758 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 78.1 p -68.77 -32.27 71.9 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.957 -179.595 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 93' ' ' GLN . . . . . . . . . . . . . 97.3 mt-30 -69.61 -43.13 73.37 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.062 -0.517 . . . . 0.0 110.955 -179.313 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 94' ' ' ILE . . . . . . . . . . . . . 20.5 tt -89.98 136.45 23.75 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.266 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.656 -179.819 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 95' ' ' GLN . . . . . . . . . . . . . 2.8 pt20 -135.84 155.48 50.26 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.518 179.725 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 96' ' ' VAL . . . . . 0.45 HG23 ' O ' ' A' ' 96' ' ' VAL . 26.5 m -85.03 128.44 38.99 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.411 179.871 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 97' ' ' PHE . . . . . . . . . . . . . 48.5 p90 . . . . . 0 C--O 1.22 -0.456 0 CA-C-O 117.909 -1.043 . . . . 0.0 110.633 -179.803 . . . . . . . . 0 0 . 1 . 003 nuclear build core ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 99.6 mtt180 . . . . . 0 N--CA 1.464 0.261 0 CA-C-O 121.143 0.497 . . . . 0.0 110.861 . . . . . . . . . 0 0 . 1 . 003 nuclear build core ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 21.3 m -67.05 135.57 28.32 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.017 -0.538 . . . . 0.0 110.263 179.96 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . 91.55 -10.08 75.58 Favored Glycine 0 CA--C 1.526 0.719 0 N-CA-C 110.707 -0.957 . . . . 0.0 110.707 -179.767 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 13.4 p -74.8 154.77 38.16 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-O 120.769 0.319 . . . . 0.0 110.253 179.803 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 98.2 mtt180 -107.75 126.54 52.74 Favored 'General case' 0 N--CA 1.466 0.333 0 CA-C-N 116.378 -0.373 . . . . 0.0 110.308 -179.904 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 33' ' ' VAL . . . . . 0.424 HG23 ' N ' ' A' ' 34' ' ' GLU . 1.5 m -146.23 -172.78 0.39 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.051 -179.958 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 34' ' ' GLU . . . . . 0.424 ' N ' HG23 ' A' ' 33' ' ' VAL . 11.8 pt-20 -133.16 136.75 45.92 Favored 'General case' 0 N--CA 1.464 0.257 0 CA-C-N 116.039 -0.528 . . . . 0.0 110.258 179.24 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 35' ' ' VAL . . . . . 0.454 ' O ' ' O ' ' A' ' 38' ' ' LYS . 5.3 t -72.79 127.39 34.74 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.427 0 CA-C-O 121.41 0.624 . . . . 0.0 110.073 -179.763 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 95.8 mt -64.0 126.77 23.33 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.689 0 CA-C-N 115.963 -0.562 . . . . 0.0 111.013 -179.397 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 97.32 -36.91 3.66 Favored Glycine 0 CA--C 1.524 0.595 0 N-CA-C 111.252 -0.739 . . . . 0.0 111.252 179.439 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 38' ' ' LYS . . . . . 0.454 ' O ' ' O ' ' A' ' 35' ' ' VAL . 71.8 tttt -163.07 -135.33 0.03 OUTLIER 'General case' 0 C--N 1.331 -0.205 0 C-N-CA 120.664 -0.414 . . . . 0.0 110.267 179.919 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 39' ' ' GLY . . . . . 0.483 ' O ' ' O ' ' A' ' 40' ' ' HIS . . . 37.61 80.73 0.02 OUTLIER Glycine 0 CA--C 1.522 0.509 0 N-CA-C 111.082 -0.807 . . . . 0.0 111.082 179.577 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 40' ' ' HIS . . . . . 0.483 ' O ' ' O ' ' A' ' 39' ' ' GLY . 73.2 m80 -44.45 174.72 0.0 OUTLIER 'General case' 0 C--N 1.328 -0.352 0 CA-C-O 121.061 0.458 . . . . 0.0 110.643 -179.262 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 99.9 mtt180 -45.72 149.82 0.58 Allowed 'General case' 0 C--N 1.325 -0.471 0 CA-C-N 116.268 -0.424 . . . . 0.0 110.859 -179.246 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -168.25 176.19 42.77 Favored Glycine 0 CA--C 1.522 0.521 0 N-CA-C 110.857 -0.897 . . . . 0.0 110.857 -179.746 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 27.7 m -123.65 132.84 53.95 Favored 'General case' 0 N--CA 1.465 0.282 0 CA-C-O 120.853 0.358 . . . . 0.0 110.717 -179.427 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 95.5 t -72.34 132.47 33.34 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.073 -0.512 . . . . 0.0 110.071 179.996 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -127.78 -50.43 1.36 Allowed 'General case' 0 N--CA 1.465 0.285 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.753 -179.998 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 46' ' ' TYR . . . . . . . . . . . . . 70.3 t80 -111.86 127.66 55.9 Favored 'General case' 0 N--CA 1.465 0.316 0 CA-C-N 116.402 -0.363 . . . . 0.0 110.655 -179.819 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 47' ' ' VAL . . . . . 0.412 HG13 ' O ' ' A' ' 47' ' ' VAL . 4.7 p -132.79 123.53 49.02 Favored 'Isoleucine or valine' 0 N--CA 1.463 0.22 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.338 179.855 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 160.79 -166.99 35.72 Favored Glycine 0 CA--C 1.52 0.383 0 N-CA-C 110.633 -0.987 . . . . 0.0 110.633 179.644 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -112.15 119.19 37.55 Favored 'General case' 0 N--CA 1.463 0.218 0 CA-C-O 120.845 0.355 . . . . 0.0 110.485 179.692 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 12.1 p -92.14 152.07 20.08 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.353 179.731 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 51' ' ' LEU . . . . . 0.463 ' H ' HH22 ' A' ' 76' ' ' ARG . 74.7 mt -70.85 -13.53 62.07 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.388 -179.74 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 52' ' ' PHE . . . . . . . . . . . . . 69.9 t80 -70.56 -26.31 63.48 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.64 -179.879 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -151.43 148.32 27.95 Favored 'General case' 0 C--O 1.232 0.151 0 CA-C-N 116.391 -0.368 . . . . 0.0 110.362 -179.943 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 54' ' ' THR . . . . . . . . . . . . . 58.6 p -83.27 166.13 18.79 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.502 179.996 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . 87.25 -151.18 23.31 Favored Glycine 0 CA--C 1.523 0.532 0 N-CA-C 110.631 -0.988 . . . . 0.0 110.631 179.927 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 64.5 tttp -111.21 136.28 50.52 Favored 'General case' 0 C--N 1.331 -0.206 0 CA-C-O 120.825 0.345 . . . . 0.0 110.409 179.977 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 57' ' ' TRP . . . . . . . . . . . . . 91.3 m95 -135.96 135.62 39.71 Favored 'General case' 0 C--N 1.332 -0.164 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.079 179.972 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 58' ' ' VAL . . . . . . . . . . . . . 43.6 t -121.98 126.4 74.42 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.253 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.203 179.959 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . -86.24 107.79 3.21 Favored Glycine 0 CA--C 1.52 0.35 0 N-CA-C 110.166 -1.174 . . . . 0.0 110.166 179.773 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 60' ' ' VAL . . . . . . . . . . . . . 24.1 t -110.28 133.18 56.5 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.338 0 CA-C-O 121.105 0.479 . . . . 0.0 110.824 -179.397 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 61' ' ' ILE . . . . . 0.667 ' N ' HD12 ' A' ' 61' ' ' ILE . 1.6 mp -90.06 105.69 16.44 Favored 'Isoleucine or valine' 0 CA--C 1.516 -0.342 0 CA-C-N 115.972 -0.558 . . . . 0.0 109.563 179.333 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 62' ' ' LEU . . . . . 0.625 HD12 ' CB ' ' A' ' 66' ' ' LYS . 6.8 mt -76.68 146.86 37.82 Favored 'General case' 0 C--N 1.323 -0.562 0 CA-C-N 115.933 -0.576 . . . . 0.0 110.928 -179.215 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 45.0 t0 -71.58 -43.69 65.83 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.878 179.574 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 78.1 tt0 -79.09 151.93 31.12 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 116.28 -0.418 . . . . 0.0 110.367 -179.854 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -63.52 94.09 0.08 Allowed 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.721 -179.903 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 66' ' ' LYS . . . . . 0.625 ' CB ' HD12 ' A' ' 62' ' ' LEU . 5.5 tptp -103.74 112.97 26.15 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-O 121.53 0.681 . . . . 0.0 109.985 179.653 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . -45.61 104.7 0.07 OUTLIER Glycine 0 N--CA 1.445 -0.76 0 C-N-CA 120.421 -0.895 . . . . 0.0 112.405 -179.432 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 49.2 tptt -164.09 133.51 3.91 Favored 'General case' 0 C--N 1.323 -0.568 0 CA-C-N 115.341 -0.43 . . . . 0.0 110.804 178.815 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 69' ' ' ASN . . . . . . . . . . . . . 98.3 m-20 -82.65 120.63 25.8 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.514 179.035 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 70' ' ' ASP . . . . . 0.453 ' OD2' ' O ' ' A' ' 82' ' ' ASP . 27.8 p30 -121.73 108.11 13.14 Favored 'General case' 0 N--CA 1.467 0.385 0 CA-C-N 116.09 -0.504 . . . . 0.0 110.807 179.863 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . 175.55 -151.06 11.42 Favored Glycine 0 CA--C 1.521 0.468 0 N-CA-C 110.864 -0.894 . . . . 0.0 110.864 -179.979 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 72' ' ' THR . . . . . 0.456 ' O ' HG23 ' A' ' 72' ' ' THR . 4.3 t -67.74 121.48 16.03 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-O 120.758 0.313 . . . . 0.0 110.213 179.836 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 73' ' ' VAL . . . . . . . . . . . . . 85.9 t -120.12 131.8 71.49 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.325 0 CA-C-O 120.982 0.42 . . . . 0.0 110.396 179.883 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 74' ' ' GLN . . . . . . . . . . . . . 2.1 tp-100 57.44 21.33 6.83 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-N 115.935 -0.575 . . . . 0.0 110.409 -179.814 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . 82.03 7.8 87.39 Favored Glycine 0 CA--C 1.524 0.618 0 N-CA-C 110.951 -0.859 . . . . 0.0 110.951 -179.973 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 76' ' ' ARG . . . . . 0.463 HH22 ' H ' ' A' ' 51' ' ' LEU . 86.5 mtm180 -105.48 120.52 41.81 Favored 'General case' 0 N--CA 1.464 0.231 0 CA-C-O 120.787 0.327 . . . . 0.0 110.152 179.785 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 88.8 tttt -105.8 121.05 43.25 Favored 'General case' 0 C--N 1.331 -0.201 0 CA-C-N 116.253 -0.431 . . . . 0.0 110.233 179.789 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 78' ' ' TYR . . . . . . . . . . . . . 38.1 m-85 -122.52 -41.71 2.37 Favored 'General case' 0 N--CA 1.468 0.437 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.479 179.879 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 79' ' ' PHE . . . . . . . . . . . . . 54.3 p90 -154.46 158.17 39.53 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.378 -179.792 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 80' ' ' THR . . . . . . . . . . . . . 97.9 m -126.38 129.48 48.85 Favored 'General case' 0 N--CA 1.465 0.309 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.531 179.863 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 81' ' ' CYS . . . . . . . . . . . . . 9.0 t -140.16 159.78 41.42 Favored 'General case' 0 N--CA 1.463 0.221 0 CA-C-N 116.039 -0.528 . . . . 0.0 110.335 179.968 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 82' ' ' ASP . . . . . 0.453 ' O ' ' OD2' ' A' ' 70' ' ' ASP . 98.3 m-20 -68.32 137.28 54.52 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.624 -179.8 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 94.8 mt-10 -51.54 138.79 21.66 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.083 179.893 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 84' ' ' GLY . . . . . 0.53 ' O ' ' N ' ' A' ' 66' ' ' LYS . . . 113.48 -7.33 24.51 Favored Glycine 0 CA--C 1.524 0.648 0 N-CA-C 110.569 -1.012 . . . . 0.0 110.569 -179.799 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 85' ' ' HIS . . . . . 0.535 ' ND1' ' O ' ' A' ' 62' ' ' LEU . 10.6 m-70 -139.36 166.45 24.52 Favored 'General case' 0 C--N 1.33 -0.253 0 O-C-N 122.539 -0.389 . . . . 0.0 110.317 -179.811 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 86' ' ' GLY . . . . . . . . . . . . . . . 101.66 42.41 2.32 Favored Glycine 0 N--CA 1.464 0.502 0 N-CA-C 110.902 -0.879 . . . . 0.0 110.902 179.865 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 87' ' ' ILE . . . . . . . . . . . . . 3.3 tp -76.66 136.22 25.08 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.403 0 CA-C-O 120.721 0.295 . . . . 0.0 110.525 -179.861 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 88' ' ' PHE . . . . . . . . . . . . . 68.9 m-85 -88.91 119.86 29.81 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.992 0.425 . . . . 0.0 110.093 179.722 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 89' ' ' VAL . . . . . . . . . . . . . 16.5 m -132.64 164.55 34.8 Favored 'Isoleucine or valine' 0 N--CA 1.463 0.198 0 CA-C-N 115.877 -0.601 . . . . 0.0 110.381 -179.89 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 90' ' ' ARG . . . . . 0.402 ' H ' ' HG2' ' A' ' 90' ' ' ARG . 35.2 ptt180 -97.35 155.66 16.79 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 115.944 -0.571 . . . . 0.0 110.676 -179.846 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 91' ' ' GLN . . . . . . . . . . . . . 54.5 tt0 -58.6 -39.92 81.77 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.037 -0.529 . . . . 0.0 110.685 -179.313 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 95.9 p -55.11 -35.29 64.48 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 116.36 -0.382 . . . . 0.0 110.587 -179.86 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 93' ' ' GLN . . . . . . . . . . . . . 56.5 tt0 -78.48 -17.31 56.47 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.368 -0.378 . . . . 0.0 110.541 -179.945 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 94' ' ' ILE . . . . . . . . . . . . . 49.2 mm -100.34 130.74 49.1 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.331 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.515 179.878 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 95' ' ' GLN . . . . . . . . . . . . . 60.0 tt0 -138.1 119.57 14.89 Favored 'General case' 0 C--N 1.332 -0.191 0 CA-C-N 115.826 -0.624 . . . . 0.0 110.524 -179.883 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 96' ' ' VAL . . . . . . . . . . . . . 13.7 p -71.09 137.09 24.5 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.339 0 CA-C-N 116.051 -0.522 . . . . 0.0 110.278 179.897 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 97' ' ' PHE . . . . . . . . . . . . . 87.7 t80 . . . . . 0 C--O 1.219 -0.522 0 CA-C-O 117.971 -1.014 . . . . 0.0 110.429 -179.969 . . . . . . . . 0 0 . 1 . 004 nuclear build core ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 60.5 ttp180 . . . . . 0 N--CA 1.454 -0.234 0 CA-C-O 120.821 0.344 . . . . 0.0 110.278 . . . . . . . . . 0 0 . 1 . 004 nuclear build core ' A' A ' 29' ' ' VAL . . . . . 0.435 ' O ' HG23 ' A' ' 29' ' ' VAL . 18.1 m -61.21 132.56 26.83 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.377 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.313 -179.635 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . 102.33 -26.59 23.68 Favored Glycine 0 CA--C 1.524 0.648 0 N-CA-C 110.884 -0.886 . . . . 0.0 110.884 -179.948 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 42.4 t -71.19 140.79 50.62 Favored 'General case' 0 C--O 1.237 0.419 0 CA-C-O 120.806 0.336 . . . . 0.0 110.539 179.885 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 47.1 ptt85 -114.08 125.55 54.1 Favored 'General case' 0 N--CA 1.465 0.31 0 CA-C-O 121.268 0.556 . . . . 0.0 110.584 -180.0 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 2.9 m -147.43 -170.01 0.23 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 115.869 -0.605 . . . . 0.0 110.103 -179.672 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 18.1 pt-20 -130.44 131.31 45.14 Favored 'General case' 0 N--CA 1.463 0.212 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.346 179.521 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 4.3 t -67.84 136.03 27.34 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 N-CA-C 109.809 -0.441 . . . . 0.0 109.809 179.831 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 95.2 mt -72.92 127.37 34.86 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.533 0 CA-C-N 116.058 -0.519 . . . . 0.0 111.051 -179.363 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 93.96 -39.33 2.94 Favored Glycine 0 CA--C 1.52 0.39 0 N-CA-C 111.28 -0.728 . . . . 0.0 111.28 179.32 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 96.5 mttt -154.31 -141.14 0.1 Allowed 'General case' 0 C--N 1.329 -0.29 0 N-CA-C 109.938 -0.393 . . . . 0.0 109.938 -179.579 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 39' ' ' GLY . . . . . 0.476 ' O ' ' O ' ' A' ' 40' ' ' HIS . . . 38.04 78.5 0.05 OUTLIER Glycine 0 CA--C 1.524 0.64 0 N-CA-C 111.538 -0.625 . . . . 0.0 111.538 -179.966 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 40' ' ' HIS . . . . . 0.569 ' CG ' ' NZ ' ' A' ' 66' ' ' LYS . 60.2 m170 -45.39 177.11 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 121.073 0.463 . . . . 0.0 110.655 179.873 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 41' ' ' ARG . . . . . 0.599 ' O ' HD13 ' A' ' 62' ' ' LEU . 99.8 mtt180 -48.71 142.02 6.62 Favored 'General case' 0 C--N 1.324 -0.529 0 CA-C-O 121.006 0.431 . . . . 0.0 110.838 -179.806 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -171.19 167.9 41.04 Favored Glycine 0 CA--C 1.526 0.723 0 N-CA-C 110.86 -0.896 . . . . 0.0 110.86 -179.922 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 95.7 m -117.89 134.18 55.19 Favored 'General case' 0 N--CA 1.467 0.407 0 CA-C-O 120.927 0.394 . . . . 0.0 110.553 -179.754 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 85.9 t -71.99 131.66 34.37 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.238 0 CA-C-N 115.904 -0.589 . . . . 0.0 110.203 -179.678 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -125.4 -47.65 1.72 Allowed 'General case' 0 N--CA 1.466 0.329 0 CA-C-N 116.351 -0.386 . . . . 0.0 110.59 -179.929 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 46' ' ' TYR . . . . . . . . . . . . . 74.2 t80 -115.56 120.77 40.57 Favored 'General case' 0 N--CA 1.465 0.317 0 CA-C-N 116.439 -0.346 . . . . 0.0 110.503 179.747 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 47' ' ' VAL . . . . . 0.558 ' O ' HG13 ' A' ' 47' ' ' VAL . 8.3 p -129.4 117.72 43.66 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.279 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.331 179.809 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 161.09 -176.44 37.67 Favored Glycine 0 CA--C 1.521 0.414 0 N-CA-C 110.63 -0.988 . . . . 0.0 110.63 179.863 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -97.39 146.79 24.84 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 120.688 0.28 . . . . 0.0 110.343 179.635 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 50' ' ' THR . . . . . 0.432 ' O ' ' O ' ' A' ' 53' ' ' ALA . 60.2 p -132.22 153.47 50.58 Favored 'General case' 0 N--CA 1.464 0.263 0 CA-C-O 120.947 0.403 . . . . 0.0 110.461 -179.888 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 59.5 mt -69.45 -18.64 63.74 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 115.953 -0.567 . . . . 0.0 110.426 -179.872 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 52' ' ' PHE . . . . . . . . . . . . . 84.7 t80 -69.35 -24.0 63.84 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.697 -179.623 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 53' ' ' ALA . . . . . 0.432 ' O ' ' O ' ' A' ' 50' ' ' THR . . . -147.9 142.61 26.68 Favored 'General case' 0 C--N 1.332 -0.175 0 CA-C-N 116.366 -0.379 . . . . 0.0 110.475 179.947 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 54' ' ' THR . . . . . . . . . . . . . 11.7 m -80.54 149.3 30.02 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.548 179.934 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . 86.38 -170.72 43.03 Favored Glycine 0 CA--C 1.521 0.442 0 N-CA-C 110.665 -0.974 . . . . 0.0 110.665 179.974 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 88.7 tttt -87.16 136.65 32.85 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 120.729 0.3 . . . . 0.0 110.486 179.786 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 57' ' ' TRP . . . . . . . . . . . . . 99.3 m95 -136.03 142.89 44.48 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.285 -0.416 . . . . 0.0 110.336 179.983 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 58' ' ' VAL . . . . . . . . . . . . . 19.4 t -125.39 127.8 72.13 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.37 0 CA-C-N 116.434 -0.348 . . . . 0.0 110.428 -179.708 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . -90.87 110.59 3.83 Favored Glycine 0 CA--C 1.518 0.259 0 N-CA-C 109.883 -1.287 . . . . 0.0 109.883 179.54 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 60' ' ' VAL . . . . . . . . . . . . . 40.8 t -109.76 135.18 49.52 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.314 0 CA-C-O 121.129 0.49 . . . . 0.0 110.651 -179.098 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 61' ' ' ILE . . . . . 0.622 HD12 ' N ' ' A' ' 61' ' ' ILE . 1.5 mp -90.55 107.24 18.25 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.249 0 CA-C-N 115.967 -0.561 . . . . 0.0 109.733 179.445 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 62' ' ' LEU . . . . . 0.599 HD13 ' O ' ' A' ' 41' ' ' ARG . 3.2 mm? -74.61 138.68 43.12 Favored 'General case' 0 C--N 1.32 -0.679 0 CA-C-N 115.858 -0.61 . . . . 0.0 111.03 -179.739 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 22.6 t0 -69.49 -37.98 77.47 Favored 'General case' 0 C--N 1.324 -0.511 0 CA-C-N 115.831 -0.622 . . . . 0.0 110.27 179.493 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 64' ' ' GLU . . . . . 0.491 ' OE1' ' N ' ' A' ' 64' ' ' GLU . 55.5 mp0 -88.86 170.65 10.54 Favored 'General case' 0 CA--C 1.521 -0.165 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.409 -179.96 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -70.23 96.24 1.08 Allowed 'General case' 0 C--N 1.326 -0.426 0 CA-C-N 116.413 -0.358 . . . . 0.0 110.899 -179.745 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 66' ' ' LYS . . . . . 0.569 ' NZ ' ' CG ' ' A' ' 40' ' ' HIS . 20.6 tptt -105.62 108.86 20.59 Favored 'General case' 0 C--N 1.332 -0.161 0 CA-C-O 121.186 0.517 . . . . 0.0 110.454 -179.937 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . -47.38 103.14 0.06 OUTLIER Glycine 0 C--N 1.316 -0.55 0 C-N-CA 120.677 -0.773 . . . . 0.0 112.323 -179.774 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 6.8 mmtt -171.38 132.99 0.8 Allowed 'General case' 0 C--N 1.328 -0.337 0 CA-C-O 120.855 0.359 . . . . 0.0 110.659 178.806 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 69' ' ' ASN . . . . . . . . . . . . . 64.2 t-20 -100.26 119.91 39.11 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.315 179.093 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 70' ' ' ASP . . . . . 0.472 ' OD2' ' CD1' ' A' ' 79' ' ' PHE . 2.8 t70 -121.14 102.6 8.42 Favored 'General case' 0 N--CA 1.466 0.363 0 CA-C-O 120.981 0.42 . . . . 0.0 110.284 179.66 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . -174.36 -149.01 6.85 Favored Glycine 0 CA--C 1.524 0.625 0 N-CA-C 110.959 -0.856 . . . . 0.0 110.959 179.939 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 72' ' ' THR . . . . . 0.427 HG22 ' H ' ' A' ' 72' ' ' THR . 0.0 OUTLIER -69.41 116.96 10.43 Favored 'General case' 0 C--N 1.329 -0.325 0 C-N-CA 120.979 -0.288 . . . . 0.0 110.381 179.955 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 73' ' ' VAL . . . . . . . . . . . . . 60.2 t -126.57 133.2 69.17 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.27 0 CA-C-O 121.126 0.489 . . . . 0.0 110.386 -179.898 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 74' ' ' GLN . . . . . 0.444 ' OE1' ' NH2' ' A' ' 76' ' ' ARG . 7.9 tt0 62.84 19.57 11.59 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-N 115.929 -0.578 . . . . 0.0 110.629 -179.997 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . 86.97 0.9 85.27 Favored Glycine 0 CA--C 1.525 0.682 0 N-CA-C 111.091 -0.803 . . . . 0.0 111.091 179.848 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 76' ' ' ARG . . . . . 0.444 ' NH2' ' OE1' ' A' ' 74' ' ' GLN . 94.3 mtm-85 -127.2 131.01 50.75 Favored 'General case' 0 N--CA 1.464 0.228 0 CA-C-O 120.921 0.391 . . . . 0.0 110.325 179.699 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 20.6 ptmt -106.18 131.6 53.24 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.028 -0.533 . . . . 0.0 110.605 179.907 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 78' ' ' TYR . . . . . . . . . . . . . 71.1 m-85 -113.94 -22.07 10.29 Favored 'General case' 0 N--CA 1.465 0.3 0 CA-C-N 116.31 -0.405 . . . . 0.0 110.157 179.773 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 79' ' ' PHE . . . . . 0.539 ' CZ ' ' CE1' ' A' ' 88' ' ' PHE . 0.1 OUTLIER -154.4 158.78 40.53 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.384 -179.835 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 80' ' ' THR . . . . . 0.618 HG23 ' O ' ' A' ' 80' ' ' THR . 12.1 t -128.29 119.29 24.82 Favored 'General case' 0 C--N 1.331 -0.213 0 CA-C-N 115.989 -0.551 . . . . 0.0 110.917 179.907 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 81' ' ' CYS . . . . . 0.428 ' SG ' ' O ' ' A' ' 80' ' ' THR . 6.2 m -159.85 141.85 13.14 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.031 179.104 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 82' ' ' ASP . . . . . . . . . . . . . 96.1 m-20 -59.37 143.15 50.4 Favored 'General case' 0 C--N 1.326 -0.445 0 CA-C-O 121.233 0.539 . . . . 0.0 110.662 -179.682 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 96.1 mt-10 -48.59 149.38 1.7 Allowed 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.014 -0.539 . . . . 0.0 110.089 179.767 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 84' ' ' GLY . . . . . 0.449 ' O ' ' N ' ' A' ' 66' ' ' LYS . . . 97.71 -11.49 64.6 Favored Glycine 0 CA--C 1.522 0.531 0 N-CA-C 110.442 -1.063 . . . . 0.0 110.442 -179.64 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 85' ' ' HIS . . . . . . . . . . . . . 22.8 m-70 -140.63 164.33 30.46 Favored 'General case' 0 N--CA 1.465 0.301 0 CA-C-O 120.592 0.234 . . . . 0.0 110.481 179.953 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 86' ' ' GLY . . . . . . . . . . . . . . . 91.03 64.41 1.19 Allowed Glycine 0 CA--C 1.52 0.373 0 N-CA-C 110.774 -0.93 . . . . 0.0 110.774 -179.905 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 87' ' ' ILE . . . . . . . . . . . . . 11.4 tt -102.79 138.49 26.87 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.241 0 CA-C-O 120.886 0.374 . . . . 0.0 110.525 -179.899 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 88' ' ' PHE . . . . . 0.539 ' CE1' ' CZ ' ' A' ' 79' ' ' PHE . 7.0 m-85 -84.16 124.26 30.96 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 115.995 -0.548 . . . . 0.0 110.377 -179.523 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 89' ' ' VAL . . . . . . . . . . . . . 17.6 m -132.84 158.27 43.23 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.227 0 CA-C-N 116.075 -0.511 . . . . 0.0 110.483 179.829 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 90' ' ' ARG . . . . . . . . . . . . . 94.9 mtt180 -86.13 162.45 18.38 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 115.96 -0.564 . . . . 0.0 110.312 -179.67 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 91' ' ' GLN . . . . . 0.42 ' O ' ' O ' ' A' ' 94' ' ' ILE . 56.3 tt0 -60.69 -38.67 85.77 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.45 -179.746 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 82.0 p -62.66 -35.2 78.89 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.709 -179.855 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 93' ' ' GLN . . . . . . . . . . . . . 87.7 mt-30 -69.37 -48.29 61.69 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.281 -0.418 . . . . 0.0 111.129 -179.47 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 94' ' ' ILE . . . . . 0.42 ' O ' ' O ' ' A' ' 91' ' ' GLN . 16.6 tt -91.99 134.82 29.02 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.387 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.696 -179.826 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 95' ' ' GLN . . . . . . . . . . . . . 47.2 tt0 -145.49 158.02 43.91 Favored 'General case' 0 C--N 1.331 -0.203 0 CA-C-N 116.286 -0.416 . . . . 0.0 110.196 179.946 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 96' ' ' VAL . . . . . 0.415 HG23 ' O ' ' A' ' 96' ' ' VAL . 24.0 m -106.2 132.53 53.1 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.235 0 CA-C-N 116.276 -0.42 . . . . 0.0 110.418 -179.931 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 97' ' ' PHE . . . . . . . . . . . . . 33.9 p90 . . . . . 0 C--O 1.219 -0.52 0 CA-C-O 117.968 -1.015 . . . . 0.0 110.39 179.932 . . . . . . . . 0 0 . 1 . 005 nuclear build core ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 78.2 mtp85 . . . . . 0 C--O 1.231 0.124 0 CA-C-O 120.898 0.38 . . . . 0.0 110.553 . . . . . . . . . 0 0 . 1 . 005 nuclear build core ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 4.9 p -65.93 132.64 31.48 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.258 0 CA-C-O 121.087 0.47 . . . . 0.0 110.434 179.845 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . 99.85 -16.03 58.94 Favored Glycine 0 CA--C 1.524 0.652 0 N-CA-C 110.855 -0.898 . . . . 0.0 110.855 179.858 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 27.8 t -73.68 145.25 45.39 Favored 'General case' 0 C--O 1.236 0.385 0 CA-C-O 121.002 0.43 . . . . 0.0 110.481 179.874 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 35.2 ptt-85 -103.23 123.96 47.73 Favored 'General case' 0 C--N 1.332 -0.16 0 CA-C-O 121.252 0.549 . . . . 0.0 110.554 179.846 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 3.0 m -146.1 163.06 10.37 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.604 179.673 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 34' ' ' GLU . . . . . 0.402 ' O ' ' CG ' ' A' ' 34' ' ' GLU . 18.6 pt-20 -106.58 126.12 51.87 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.324 -0.398 . . . . 0.0 110.501 178.979 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 35' ' ' VAL . . . . . 0.429 ' O ' ' O ' ' A' ' 38' ' ' LYS . 5.1 t -64.23 129.49 28.16 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.348 0 CA-C-O 121.045 0.45 . . . . 0.0 110.377 -179.853 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 15.2 mm -66.1 124.9 22.17 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.407 0 CA-C-N 116.108 -0.496 . . . . 0.0 111.163 -179.3 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 98.92 -36.63 3.91 Favored Glycine 0 CA--C 1.523 0.56 0 N-CA-C 111.414 -0.674 . . . . 0.0 111.414 179.76 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 38' ' ' LYS . . . . . 0.445 ' HG2' ' H ' ' A' ' 39' ' ' GLY . 46.3 tttm -163.34 -135.1 0.03 OUTLIER 'General case' 0 C--N 1.328 -0.346 0 CA-C-O 121.068 0.461 . . . . 0.0 110.786 -179.814 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 39' ' ' GLY . . . . . 0.468 ' O ' ' O ' ' A' ' 40' ' ' HIS . . . 38.51 79.65 0.04 OUTLIER Glycine 0 CA--C 1.526 0.736 0 N-CA-C 110.812 -0.915 . . . . 0.0 110.812 179.662 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 40' ' ' HIS . . . . . 0.468 ' O ' ' O ' ' A' ' 39' ' ' GLY . 0.5 OUTLIER -45.92 175.03 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.882 0.372 . . . . 0.0 110.425 -179.346 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 41' ' ' ARG . . . . . 0.622 ' O ' HD13 ' A' ' 62' ' ' LEU . 85.2 mtp180 -46.12 138.33 5.34 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.661 -179.702 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -167.33 170.27 41.49 Favored Glycine 0 CA--C 1.52 0.389 0 N-CA-C 110.806 -0.917 . . . . 0.0 110.806 -179.911 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 67.7 m -117.69 131.8 56.58 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-O 120.807 0.337 . . . . 0.0 110.722 -179.79 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 44' ' ' VAL . . . . . 0.429 HG22 ' H ' ' A' ' 44' ' ' VAL . 2.5 m -70.42 114.14 7.64 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.238 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.468 -179.669 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 45' ' ' ALA . . . . . 0.425 ' HB2' HD13 ' A' ' 61' ' ' ILE . . . -90.03 -47.9 7.54 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.721 179.914 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 46' ' ' TYR . . . . . . . . . . . . . 88.1 t80 -144.23 132.94 22.37 Favored 'General case' 0 CA--C 1.519 -0.214 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.562 -179.698 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 47' ' ' VAL . . . . . . . . . . . . . 1.3 p -123.67 121.41 62.39 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.206 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.465 179.639 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 158.81 -159.33 30.18 Favored Glycine 0 CA--C 1.52 0.349 0 N-CA-C 110.658 -0.977 . . . . 0.0 110.658 179.441 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -116.62 152.59 33.9 Favored 'General case' 0 C--O 1.233 0.21 0 CA-C-O 120.966 0.412 . . . . 0.0 110.413 179.528 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 50' ' ' THR . . . . . 0.442 ' O ' ' O ' ' A' ' 53' ' ' ALA . 62.3 p -128.89 155.68 44.88 Favored 'General case' 0 C--N 1.333 -0.142 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.6 -179.877 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 64.7 mt -69.23 -19.24 63.94 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.524 -179.879 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 52' ' ' PHE . . . . . . . . . . . . . 71.7 t80 -70.81 -26.28 63.24 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.534 -179.684 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 53' ' ' ALA . . . . . 0.442 ' O ' ' O ' ' A' ' 50' ' ' THR . . . -145.36 141.61 28.64 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.443 -179.805 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 54' ' ' THR . . . . . . . . . . . . . 11.2 p -81.37 164.33 22.21 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.695 -179.785 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . 85.99 -151.01 24.46 Favored Glycine 0 CA--C 1.519 0.314 0 N-CA-C 110.915 -0.874 . . . . 0.0 110.915 179.824 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 87.4 tttt -133.58 131.9 40.22 Favored 'General case' 0 C--N 1.333 -0.152 0 CA-C-O 121.056 0.455 . . . . 0.0 110.33 179.849 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 57' ' ' TRP . . . . . . . . . . . . . 0.0 OUTLIER -141.59 159.34 42.41 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.485 179.836 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 58' ' ' VAL . . . . . . . . . . . . . 61.9 t -125.84 129.77 72.47 Favored 'Isoleucine or valine' 0 CA--C 1.521 -0.143 0 CA-C-N 116.02 -0.536 . . . . 0.0 110.931 179.586 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . -83.64 112.93 3.63 Favored Glycine 0 CA--C 1.521 0.422 0 N-CA-C 110.315 -1.114 . . . . 0.0 110.315 179.724 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 60' ' ' VAL . . . . . 0.472 ' C ' HD12 ' A' ' 61' ' ' ILE . 40.1 t -117.37 134.22 61.64 Favored 'Isoleucine or valine' 0 C--O 1.234 0.249 0 CA-C-O 121.353 0.597 . . . . 0.0 110.93 -179.376 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 61' ' ' ILE . . . . . 0.654 HD12 ' N ' ' A' ' 61' ' ' ILE . 1.6 mp -95.84 109.41 22.62 Favored 'Isoleucine or valine' 0 CA--C 1.531 0.22 0 CA-C-N 115.937 -0.574 . . . . 0.0 109.901 179.416 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 62' ' ' LEU . . . . . 0.622 HD13 ' O ' ' A' ' 41' ' ' ARG . 3.2 mm? -73.21 134.99 44.52 Favored 'General case' 0 C--N 1.325 -0.486 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.57 179.908 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 46.9 t0 -67.44 -37.5 83.08 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.072 -0.513 . . . . 0.0 110.328 179.684 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 80.6 mm-40 -88.4 167.8 13.18 Favored 'General case' 0 C--N 1.331 -0.207 0 CA-C-N 116.246 -0.433 . . . . 0.0 110.303 179.979 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -67.48 95.56 0.47 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.866 -179.935 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 66' ' ' LYS . . . . . 0.471 ' N ' ' O ' ' A' ' 84' ' ' GLY . 20.0 tptt -108.48 109.08 20.26 Favored 'General case' 0 CA--C 1.53 0.177 0 CA-C-N 116.335 -0.393 . . . . 0.0 110.123 179.746 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . -46.36 105.07 0.08 OUTLIER Glycine 0 N--CA 1.449 -0.485 0 C-N-CA 120.725 -0.75 . . . . 0.0 112.22 -179.705 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 68' ' ' LYS . . . . . 0.413 ' HG3' HD13 ' A' ' 87' ' ' ILE . 6.1 tmtt? -167.85 132.69 1.83 Allowed 'General case' 0 C--N 1.329 -0.302 0 C-N-CA 121.185 -0.206 . . . . 0.0 110.544 179.412 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 69' ' ' ASN . . . . . . . . . . . . . 32.3 m120 -89.26 120.64 30.8 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-O 120.949 0.404 . . . . 0.0 110.806 179.677 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 50.4 t0 -122.22 102.43 8.12 Favored 'General case' 0 C--O 1.232 0.181 0 CA-C-N 116.301 -0.409 . . . . 0.0 110.697 179.776 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . -177.55 -160.8 24.84 Favored Glycine 0 CA--C 1.524 0.629 0 N-CA-C 110.897 -0.881 . . . . 0.0 110.897 179.758 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 72' ' ' THR . . . . . 0.476 HG22 ' H ' ' A' ' 72' ' ' THR . 0.0 OUTLIER -67.28 126.72 30.13 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-O 121.008 0.432 . . . . 0.0 110.393 -179.916 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 73' ' ' VAL . . . . . . . . . . . . . 3.1 t -121.15 125.21 73.61 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.2 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.392 179.871 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 74' ' ' GLN . . . . . . . . . . . . . 45.7 tp60 53.44 29.23 8.58 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.48 179.897 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . 84.68 1.41 89.1 Favored Glycine 0 CA--C 1.521 0.438 0 N-CA-C 110.891 -0.884 . . . . 0.0 110.891 179.944 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 76' ' ' ARG . . . . . . . . . . . . . 6.4 mmp_? -95.29 114.06 25.8 Favored 'General case' 0 C--N 1.331 -0.207 0 CA-C-O 121.088 0.471 . . . . 0.0 110.364 -179.947 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 85.8 tttt -103.13 94.09 5.35 Favored 'General case' 0 CA--C 1.52 -0.203 0 CA-C-O 121.039 0.447 . . . . 0.0 110.516 -179.803 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 78' ' ' TYR . . . . . . . . . . . . . 48.4 m-85 -123.25 -23.65 4.84 Favored 'General case' 0 C--O 1.232 0.182 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.491 179.856 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 79' ' ' PHE . . . . . . . . . . . . . 67.9 m-85 -129.91 146.58 51.62 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-O 121.03 0.443 . . . . 0.0 110.284 -179.951 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 80' ' ' THR . . . . . 0.675 HG23 ' O ' ' A' ' 80' ' ' THR . 15.1 t -151.9 114.83 4.67 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.546 179.648 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 81' ' ' CYS . . . . . . . . . . . . . 6.5 t -160.39 155.9 25.28 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.454 179.725 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 82' ' ' ASP . . . . . . . . . . . . . 92.5 m-20 -61.26 139.5 58.14 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.266 -0.424 . . . . 0.0 110.727 179.912 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 98.1 mt-10 -48.58 133.98 16.16 Favored 'General case' 0 CA--C 1.519 -0.223 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.413 -179.891 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 84' ' ' GLY . . . . . 0.471 ' O ' ' N ' ' A' ' 66' ' ' LYS . . . 115.81 -3.05 21.33 Favored Glycine 0 CA--C 1.524 0.611 0 N-CA-C 110.654 -0.979 . . . . 0.0 110.654 -179.644 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 85' ' ' HIS . . . . . 0.505 ' ND1' ' O ' ' A' ' 62' ' ' LEU . 6.7 m-70 -145.04 166.99 23.74 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-O 120.919 0.39 . . . . 0.0 110.352 179.775 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 86' ' ' GLY . . . . . . . . . . . . . . . 108.62 43.61 1.22 Allowed Glycine 0 CA--C 1.524 0.615 0 N-CA-C 110.978 -0.849 . . . . 0.0 110.978 179.93 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 87' ' ' ILE . . . . . 0.413 HD13 ' HG3' ' A' ' 68' ' ' LYS . 3.7 mm -80.02 142.3 14.12 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.406 0 CA-C-O 121.026 0.441 . . . . 0.0 110.509 179.548 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 88' ' ' PHE . . . . . . . . . . . . . 88.3 m-85 -101.29 118.53 37.15 Favored 'General case' 0 C--O 1.234 0.276 0 CA-C-O 120.988 0.423 . . . . 0.0 110.195 -179.946 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 89' ' ' VAL . . . . . . . . . . . . . 33.3 m -127.08 160.33 35.97 Favored 'Isoleucine or valine' 0 CA--C 1.518 -0.279 0 CA-C-N 116.283 -0.417 . . . . 0.0 110.665 -179.911 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 90' ' ' ARG . . . . . . . . . . . . . 82.4 mtp180 -90.98 165.46 13.54 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.516 -179.806 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 91' ' ' GLN . . . . . . . . . . . . . 24.3 pt20 -60.52 -38.11 83.34 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.314 -0.403 . . . . 0.0 110.597 -179.923 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 36.8 t -66.25 -36.3 82.65 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 116.297 -0.411 . . . . 0.0 110.663 -179.797 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 93' ' ' GLN . . . . . . . . . . . . . 15.8 mm100 -68.71 -48.01 64.93 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.766 -179.266 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 94' ' ' ILE . . . . . 0.421 ' O ' HG23 ' A' ' 94' ' ' ILE . 20.0 tt -91.14 133.19 33.59 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.343 0 CA-C-O 120.934 0.397 . . . . 0.0 110.753 -179.859 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 95' ' ' GLN . . . . . . . . . . . . . 52.8 mm-40 -132.69 157.93 43.62 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-O 121.022 0.439 . . . . 0.0 110.427 -179.932 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 96' ' ' VAL . . . . . . . . . . . . . 4.1 p -118.26 131.55 70.7 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.169 0 CA-C-O 121.048 0.452 . . . . 0.0 110.319 -179.88 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 97' ' ' PHE . . . . . . . . . . . . . 52.7 p90 . . . . . 0 C--O 1.221 -0.447 0 CA-C-O 117.932 -1.032 . . . . 0.0 110.63 -179.934 . . . . . . . . 0 0 . 1 . 006 nuclear build core ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 99.6 mtt180 . . . . . 0 N--CA 1.465 0.279 0 CA-C-O 120.957 0.408 . . . . 0.0 110.787 . . . . . . . . . 0 0 . 1 . 006 nuclear build core ' A' A ' 29' ' ' VAL . . . . . 0.433 ' O ' HG23 ' A' ' 29' ' ' VAL . 18.8 m -64.49 131.92 30.27 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.377 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.201 -179.877 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . 97.04 -6.79 64.25 Favored Glycine 0 CA--C 1.525 0.674 0 N-CA-C 110.931 -0.868 . . . . 0.0 110.931 -179.755 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 27.2 m -67.55 141.27 56.89 Favored 'General case' 0 C--N 1.33 -0.244 0 C-N-CA 120.994 -0.282 . . . . 0.0 110.241 179.964 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 39.0 mtp180 -101.35 120.92 40.99 Favored 'General case' 0 N--CA 1.465 0.285 0 CA-C-N 116.507 -0.315 . . . . 0.0 110.264 179.741 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 1.5 m -149.17 175.9 1.02 Allowed 'Isoleucine or valine' 0 C--N 1.331 -0.225 0 CA-C-N 115.872 -0.604 . . . . 0.0 109.947 -179.97 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 10.4 pt-20 -121.14 133.95 55.22 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.231 179.205 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 35' ' ' VAL . . . . . 0.475 ' O ' ' O ' ' A' ' 38' ' ' LYS . 4.7 t -73.65 123.45 28.78 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.386 0 CA-C-O 121.418 0.628 . . . . 0.0 110.291 -179.885 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 5.1 mm -66.73 127.34 28.0 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.825 0 CA-C-N 116.119 -0.492 . . . . 0.0 110.738 -179.449 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 98.83 -35.86 4.39 Favored Glycine 0 CA--C 1.522 0.482 0 N-CA-C 110.82 -0.912 . . . . 0.0 110.82 179.691 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 38' ' ' LYS . . . . . 0.475 ' O ' ' O ' ' A' ' 35' ' ' VAL . 23.7 ttpt -162.46 -138.62 0.04 OUTLIER 'General case' 0 C--N 1.331 -0.199 0 C-N-CA 120.688 -0.405 . . . . 0.0 110.243 -179.924 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 39' ' ' GLY . . . . . 0.472 ' O ' ' O ' ' A' ' 40' ' ' HIS . . . 35.75 78.51 0.04 OUTLIER Glycine 0 C--N 1.336 0.541 0 N-CA-C 111.074 -0.81 . . . . 0.0 111.074 179.527 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 40' ' ' HIS . . . . . 0.564 ' CG ' ' H ' ' A' ' 41' ' ' ARG . 53.7 t60 -45.17 174.71 0.0 OUTLIER 'General case' 0 C--N 1.327 -0.406 0 CA-C-O 120.913 0.387 . . . . 0.0 110.499 -179.293 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 41' ' ' ARG . . . . . 0.564 ' H ' ' CG ' ' A' ' 40' ' ' HIS . 90.4 mtm180 -45.82 143.09 2.23 Favored 'General case' 0 C--N 1.325 -0.48 0 CA-C-N 116.345 -0.389 . . . . 0.0 110.706 -179.473 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -173.73 -176.13 41.95 Favored Glycine 0 CA--C 1.525 0.666 0 N-CA-C 110.658 -0.977 . . . . 0.0 110.658 -179.895 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 17.6 m -126.07 137.68 53.64 Favored 'General case' 0 N--CA 1.466 0.357 0 CA-C-O 120.735 0.302 . . . . 0.0 110.516 -179.664 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 44' ' ' VAL . . . . . 0.45 ' H ' HG22 ' A' ' 44' ' ' VAL . 2.1 m -74.62 115.53 15.98 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-O 120.974 0.416 . . . . 0.0 110.252 -179.857 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 45' ' ' ALA . . . . . 0.481 ' HB2' HD13 ' A' ' 61' ' ' ILE . . . -98.3 -48.78 4.94 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.501 179.879 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 46' ' ' TYR . . . . . . . . . . . . . 78.6 t80 -124.03 126.05 45.6 Favored 'General case' 0 N--CA 1.467 0.382 0 CA-C-N 116.396 -0.365 . . . . 0.0 110.616 -179.815 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 47' ' ' VAL . . . . . . . . . . . . . 2.8 p -134.39 121.57 37.2 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.27 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.471 179.886 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 160.34 -173.94 37.0 Favored Glycine 0 CA--C 1.52 0.35 0 N-CA-C 110.676 -0.969 . . . . 0.0 110.676 179.496 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -96.82 145.62 25.67 Favored 'General case' 0 C--N 1.328 -0.332 0 N-CA-C 110.1 -0.333 . . . . 0.0 110.1 179.461 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 71.7 p -129.88 147.48 51.65 Favored 'General case' 0 N--CA 1.465 0.292 0 CA-C-O 120.955 0.407 . . . . 0.0 110.369 -179.97 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 75.6 mt -69.59 -13.47 62.34 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-N 116.008 -0.542 . . . . 0.0 110.555 -179.64 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 52' ' ' PHE . . . . . . . . . . . . . 63.6 t80 -69.25 -28.55 66.42 Favored 'General case' 0 C--N 1.327 -0.413 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.6 -179.832 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -151.49 154.15 36.0 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-N 116.465 -0.334 . . . . 0.0 110.517 -179.909 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 54' ' ' THR . . . . . . . . . . . . . 70.2 p -80.54 159.9 25.35 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.287 -0.415 . . . . 0.0 110.448 179.998 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . 87.2 -154.02 25.96 Favored Glycine 0 CA--C 1.522 0.495 0 N-CA-C 110.486 -1.046 . . . . 0.0 110.486 -179.881 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 36.0 ttmt -117.38 118.44 32.25 Favored 'General case' 0 CA--C 1.52 -0.184 0 CA-C-O 120.766 0.317 . . . . 0.0 110.409 179.891 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 57' ' ' TRP . . . . . . . . . . . . . 6.5 m0 -104.23 137.22 42.47 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.216 -179.916 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 58' ' ' VAL . . . . . . . . . . . . . 47.6 t -128.89 123.31 58.75 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.23 0 CA-C-N 115.956 -0.565 . . . . 0.0 110.469 179.859 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . -89.44 117.71 5.02 Favored Glycine 0 CA--C 1.519 0.33 0 N-CA-C 109.919 -1.272 . . . . 0.0 109.919 179.527 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 60' ' ' VAL . . . . . 0.412 ' C ' HD12 ' A' ' 61' ' ' ILE . 56.1 t -114.3 137.27 48.15 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.32 0 CA-C-O 121.441 0.639 . . . . 0.0 110.744 -179.359 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 61' ' ' ILE . . . . . 0.552 HD12 ' N ' ' A' ' 61' ' ' ILE . 1.7 mp -98.67 114.94 37.79 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 N-CA-C 109.339 -0.615 . . . . 0.0 109.339 179.625 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 62' ' ' LEU . . . . . 0.987 HD22 ' H ' ' A' ' 62' ' ' LEU . 0.5 OUTLIER -77.1 143.06 39.47 Favored 'General case' 0 C--N 1.323 -0.557 0 CA-C-N 115.574 -0.739 . . . . 0.0 110.708 -179.869 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 90.9 m-20 -62.62 -44.43 96.3 Favored 'General case' 0 N--CA 1.448 -0.559 0 CA-C-N 115.531 -0.759 . . . . 0.0 110.575 -179.914 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 18.7 pt-20 -93.3 167.35 11.8 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.112 179.646 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -55.46 135.6 50.39 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 116.333 -0.394 . . . . 0.0 110.63 -179.802 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 66' ' ' LYS . . . . . 0.429 ' O ' ' O ' ' A' ' 84' ' ' GLY . 11.1 tptm -143.99 104.6 4.17 Favored 'General case' 0 C--O 1.225 -0.19 0 CA-C-O 121.26 0.552 . . . . 0.0 110.101 179.787 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . -44.28 103.09 0.04 OUTLIER Glycine 0 C--N 1.316 -0.547 0 C-N-CA 120.468 -0.872 . . . . 0.0 112.015 -179.221 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 28.3 tptp -169.3 131.82 1.22 Allowed 'General case' 0 C--N 1.325 -0.465 0 CA-C-N 115.119 -0.54 . . . . 0.0 110.789 179.011 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 69' ' ' ASN . . . . . 0.443 ' OD1' ' O ' ' A' ' 69' ' ' ASN . 35.2 p-10 -94.37 121.52 35.98 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.317 179.031 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 70' ' ' ASP . . . . . 0.483 ' OD2' ' N ' ' A' ' 81' ' ' CYS . 9.3 t70 -120.92 104.66 10.0 Favored 'General case' 0 N--CA 1.465 0.325 0 CA-C-N 116.311 -0.404 . . . . 0.0 110.369 179.95 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . -176.96 -151.99 9.48 Favored Glycine 0 CA--C 1.523 0.592 0 N-CA-C 110.892 -0.883 . . . . 0.0 110.892 -179.989 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 72' ' ' THR . . . . . 0.442 HG22 ' H ' ' A' ' 72' ' ' THR . 0.0 OUTLIER -66.46 111.59 3.65 Favored 'General case' 0 C--N 1.327 -0.409 0 N-CA-C 110.141 -0.318 . . . . 0.0 110.141 179.98 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 73' ' ' VAL . . . . . . . . . . . . . 78.6 t -118.21 129.14 74.98 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.231 0 CA-C-O 121.0 0.428 . . . . 0.0 110.23 -179.952 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 74' ' ' GLN . . . . . . . . . . . . . 37.1 tp60 55.35 21.54 4.26 Favored 'General case' 0 C--N 1.325 -0.46 0 CA-C-N 115.89 -0.596 . . . . 0.0 110.413 179.938 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . 83.13 4.53 89.75 Favored Glycine 0 CA--C 1.523 0.533 0 N-CA-C 111.021 -0.832 . . . . 0.0 111.021 -179.848 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 76' ' ' ARG . . . . . . . . . . . . . 6.7 mmp_? -103.09 121.75 43.24 Favored 'General case' 0 CA--C 1.521 -0.169 0 CA-C-O 120.767 0.317 . . . . 0.0 110.597 179.919 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 89.0 tttt -105.82 89.89 3.22 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.113 179.48 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 78' ' ' TYR . . . . . . . . . . . . . 36.7 m-85 -108.45 -28.29 9.44 Favored 'General case' 0 N--CA 1.466 0.333 0 CA-C-N 116.298 -0.41 . . . . 0.0 110.5 179.876 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 79' ' ' PHE . . . . . . . . . . . . . 4.4 p90 -144.6 152.88 41.15 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.343 -0.389 . . . . 0.0 110.577 -179.869 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 80' ' ' THR . . . . . . . . . . . . . 53.5 m -147.85 125.5 11.81 Favored 'General case' 0 C--N 1.331 -0.206 0 CA-C-N 115.92 -0.582 . . . . 0.0 110.646 179.85 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 81' ' ' CYS . . . . . 0.483 ' N ' ' OD2' ' A' ' 70' ' ' ASP . 5.6 t -155.25 157.67 37.63 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 116.097 -0.501 . . . . 0.0 110.283 179.662 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 82' ' ' ASP . . . . . . . . . . . . . 98.8 m-20 -60.69 140.19 57.59 Favored 'General case' 0 C--O 1.236 0.378 0 CA-C-O 121.293 0.568 . . . . 0.0 110.521 -179.914 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 81.6 tt0 -48.16 138.28 9.67 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 115.922 -0.581 . . . . 0.0 110.076 -179.863 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 84' ' ' GLY . . . . . 0.429 ' O ' ' O ' ' A' ' 66' ' ' LYS . . . 103.83 -3.63 45.53 Favored Glycine 0 CA--C 1.523 0.593 0 N-CA-C 110.613 -0.995 . . . . 0.0 110.613 -179.721 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 85' ' ' HIS . . . . . . . . . . . . . 49.9 m-70 -141.99 165.17 28.18 Favored 'General case' 0 N--CA 1.463 0.199 0 C-N-CA 121.166 -0.213 . . . . 0.0 110.814 179.954 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 86' ' ' GLY . . . . . . . . . . . . . . . 101.3 42.61 2.34 Favored Glycine 0 C--N 1.338 0.691 0 N-CA-C 110.933 -0.867 . . . . 0.0 110.933 179.978 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 87' ' ' ILE . . . . . . . . . . . . . 3.4 tp -78.54 132.37 32.47 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.381 0 N-CA-C 110.178 -0.304 . . . . 0.0 110.178 -179.953 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 88' ' ' PHE . . . . . 0.494 ' CD1' ' O ' ' A' ' 88' ' ' PHE . 51.7 p90 -87.72 131.33 34.52 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.912 -179.816 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 89' ' ' VAL . . . . . . . . . . . . . 30.5 m -136.46 160.0 37.86 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.241 0 CA-C-N 116.059 -0.519 . . . . 0.0 110.204 179.629 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 90' ' ' ARG . . . . . . . . . . . . . 92.0 mtt180 -86.21 163.52 17.73 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 115.963 -0.562 . . . . 0.0 110.536 -179.815 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 91' ' ' GLN . . . . . . . . . . . . . 60.8 tt0 -60.09 -41.59 92.81 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.492 -179.551 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 63.5 p -63.66 -32.73 74.3 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.82 179.873 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 93' ' ' GLN . . . . . . . . . . . . . 86.7 mt-30 -69.08 -48.25 63.17 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.304 -0.407 . . . . 0.0 110.851 -179.786 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 94' ' ' ILE . . . . . 0.476 HG23 ' O ' ' A' ' 94' ' ' ILE . 20.7 tt -90.21 128.35 42.19 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.368 0 CA-C-N 116.313 -0.403 . . . . 0.0 110.462 179.971 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 95' ' ' GLN . . . . . . . . . . . . . 86.1 mt-30 -143.44 154.65 43.9 Favored 'General case' 0 C--N 1.331 -0.199 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.564 -179.831 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 96' ' ' VAL . . . . . . . . . . . . . 29.3 m -75.07 138.16 21.53 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 115.979 -0.555 . . . . 0.0 110.596 -179.92 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 97' ' ' PHE . . . . . . . . . . . . . 89.8 t80 . . . . . 0 C--O 1.22 -0.467 0 CA-C-O 118.05 -0.976 . . . . 0.0 110.56 -179.983 . . . . . . . . 0 0 . 1 . 007 nuclear build core ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 93.4 mtt-85 . . . . . 0 N--CA 1.456 -0.17 0 CA-C-O 120.924 0.392 . . . . 0.0 110.652 . . . . . . . . . 0 0 . 1 . 007 nuclear build core ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 6.7 m -67.13 135.99 27.53 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.418 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.416 -179.871 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . 94.99 -12.51 68.4 Favored Glycine 0 CA--C 1.524 0.622 0 N-CA-C 110.869 -0.892 . . . . 0.0 110.869 -179.862 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 6.6 p -71.84 146.4 47.99 Favored 'General case' 0 C--N 1.329 -0.285 0 N-CA-C 110.003 -0.369 . . . . 0.0 110.003 179.954 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 32.2 ptt85 -107.97 123.04 48.04 Favored 'General case' 0 N--CA 1.465 0.305 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.391 179.752 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 3.3 m -145.85 165.72 9.69 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 115.86 -0.609 . . . . 0.0 110.363 179.887 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 13.8 pt-20 -106.73 129.31 54.63 Favored 'General case' 0 N--CA 1.464 0.24 0 CA-C-N 116.283 -0.417 . . . . 0.0 109.992 179.343 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 35' ' ' VAL . . . . . 0.447 ' O ' ' O ' ' A' ' 38' ' ' LYS . 21.6 t -68.09 128.91 32.22 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 CA-C-O 121.237 0.541 . . . . 0.0 109.812 -179.686 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 89.7 mt -63.92 126.54 22.78 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.634 0 C-N-CA 120.343 -0.543 . . . . 0.0 111.099 -179.189 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 97.8 -37.24 3.54 Favored Glycine 0 CA--C 1.527 0.803 0 N-CA-C 111.333 -0.707 . . . . 0.0 111.333 179.482 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 38' ' ' LYS . . . . . 0.447 ' O ' ' O ' ' A' ' 35' ' ' VAL . 25.4 pttm -163.79 -136.93 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.248 0 CA-C-O 120.825 0.345 . . . . 0.0 110.511 -179.986 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 39' ' ' GLY . . . . . 0.463 ' O ' ' O ' ' A' ' 40' ' ' HIS . . . 40.07 79.82 0.04 OUTLIER Glycine 0 C--N 1.334 0.447 0 N-CA-C 111.25 -0.74 . . . . 0.0 111.25 179.137 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 40' ' ' HIS . . . . . 0.463 ' O ' ' O ' ' A' ' 39' ' ' GLY . 59.9 m170 -44.58 173.81 0.0 OUTLIER 'General case' 0 C--N 1.33 -0.269 0 CA-C-O 121.012 0.434 . . . . 0.0 110.481 -179.547 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 82.4 mtp180 -46.39 139.99 4.5 Favored 'General case' 0 C--N 1.325 -0.473 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.986 -179.43 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -166.6 163.09 36.73 Favored Glycine 0 CA--C 1.524 0.646 0 N-CA-C 110.762 -0.935 . . . . 0.0 110.762 179.901 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 12.5 p -109.26 141.07 42.08 Favored 'General case' 0 N--CA 1.466 0.334 0 CA-C-O 120.958 0.409 . . . . 0.0 110.857 -179.703 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 44' ' ' VAL . . . . . 0.436 ' H ' HG22 ' A' ' 44' ' ' VAL . 1.6 m -78.34 113.03 17.04 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 115.979 -0.555 . . . . 0.0 109.965 -179.935 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -97.6 -48.52 5.22 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.836 -179.854 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 46' ' ' TYR . . . . . . . . . . . . . 80.2 t80 -124.19 132.09 53.59 Favored 'General case' 0 N--CA 1.467 0.4 0 CA-C-O 120.989 0.423 . . . . 0.0 110.886 -179.438 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 47' ' ' VAL . . . . . . . . . . . . . 2.6 p -132.71 120.87 43.33 Favored 'Isoleucine or valine' 0 C--N 1.333 -0.151 0 CA-C-N 115.998 -0.546 . . . . 0.0 110.382 179.649 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 48' ' ' GLY . . . . . 0.422 ' O ' ' O ' ' A' ' 57' ' ' TRP . . . 160.17 -178.48 36.2 Favored Glycine 0 CA--C 1.52 0.36 0 N-CA-C 110.668 -0.973 . . . . 0.0 110.668 179.385 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -88.52 135.69 33.36 Favored 'General case' 0 C--N 1.328 -0.349 0 N-CA-C 110.059 -0.348 . . . . 0.0 110.059 179.328 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 50' ' ' THR . . . . . 0.478 ' O ' ' O ' ' A' ' 53' ' ' ALA . 76.7 p -110.88 144.52 39.8 Favored 'General case' 0 N--CA 1.466 0.369 0 CA-C-O 120.918 0.389 . . . . 0.0 110.352 -179.946 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 62.4 mt -69.52 -17.72 63.61 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.5 -179.775 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 52' ' ' PHE . . . . . . . . . . . . . 81.0 t80 -69.74 -21.88 63.42 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.07 -0.514 . . . . 0.0 110.556 -179.78 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 53' ' ' ALA . . . . . 0.478 ' O ' ' O ' ' A' ' 50' ' ' THR . . . -149.37 149.21 30.5 Favored 'General case' 0 N--CA 1.463 0.188 0 CA-C-O 120.927 0.394 . . . . 0.0 110.508 179.899 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 54' ' ' THR . . . . . . . . . . . . . 18.6 m -78.72 153.49 30.84 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-N 116.294 -0.412 . . . . 0.0 110.816 -179.8 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . 86.72 -163.15 34.93 Favored Glycine 0 CA--C 1.52 0.36 0 N-CA-C 110.505 -1.038 . . . . 0.0 110.505 179.873 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 36.9 ttmt -100.55 141.18 33.78 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.897 0.38 . . . . 0.0 110.252 179.995 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 57' ' ' TRP . . . . . 0.422 ' O ' ' O ' ' A' ' 48' ' ' GLY . 94.5 m95 -137.53 140.89 41.37 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.365 179.784 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 58' ' ' VAL . . . . . . . . . . . . . 47.7 t -117.88 127.03 75.21 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.332 0 CA-C-N 116.406 -0.361 . . . . 0.0 110.508 -179.999 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . -89.33 115.28 4.47 Favored Glycine 0 CA--C 1.519 0.319 0 N-CA-C 109.961 -1.256 . . . . 0.0 109.961 179.739 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 60' ' ' VAL . . . . . 0.506 ' C ' HD12 ' A' ' 61' ' ' ILE . 43.4 t -116.99 137.2 51.66 Favored 'Isoleucine or valine' 0 C--O 1.233 0.192 0 CA-C-O 121.139 0.495 . . . . 0.0 110.621 -179.302 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 61' ' ' ILE . . . . . 0.645 ' N ' HD12 ' A' ' 61' ' ' ILE . 1.7 mp -99.16 110.98 27.56 Favored 'Isoleucine or valine' 0 CA--C 1.517 -0.307 0 N-CA-C 109.09 -0.707 . . . . 0.0 109.09 179.061 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 62' ' ' LEU . . . . . 0.971 ' H ' HD22 ' A' ' 62' ' ' LEU . 0.4 OUTLIER -75.74 146.99 39.66 Favored 'General case' 0 C--N 1.324 -0.507 0 CA-C-N 115.526 -0.761 . . . . 0.0 110.801 -179.504 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 88.4 m-20 -67.82 -19.19 65.04 Favored 'General case' 0 C--N 1.322 -0.596 0 CA-C-N 115.552 -0.749 . . . . 0.0 110.516 -179.762 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 64' ' ' GLU . . . . . 0.415 ' O ' ' NE2' ' A' ' 85' ' ' HIS . 80.2 mm-40 -109.87 176.07 5.2 Favored 'General case' 0 N--CA 1.465 0.321 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.356 -179.976 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -77.5 95.03 4.4 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.089 -0.505 . . . . 0.0 110.766 -179.514 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 66' ' ' LYS . . . . . 0.531 ' N ' ' O ' ' A' ' 84' ' ' GLY . 4.7 tptp -97.48 107.37 19.87 Favored 'General case' 0 N--CA 1.464 0.228 0 CA-C-O 121.177 0.513 . . . . 0.0 109.744 179.903 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . -43.33 101.44 0.02 OUTLIER Glycine 0 C--N 1.315 -0.592 0 C-N-CA 120.475 -0.869 . . . . 0.0 112.124 -179.186 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 19.8 tptp -165.92 136.07 3.47 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-N 114.975 -0.612 . . . . 0.0 110.878 179.388 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 69' ' ' ASN . . . . . . . . . . . . . 86.4 m-20 -87.87 120.23 29.0 Favored 'General case' 0 C--N 1.331 -0.211 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.543 179.722 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 32.7 t0 -116.49 107.2 14.47 Favored 'General case' 0 N--CA 1.466 0.342 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.369 179.738 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . 177.41 -150.75 10.33 Favored Glycine 0 CA--C 1.523 0.556 0 N-CA-C 110.961 -0.856 . . . . 0.0 110.961 -179.908 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 72' ' ' THR . . . . . 0.44 HG22 ' H ' ' A' ' 72' ' ' THR . 0.0 OUTLIER -67.67 122.48 18.14 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.637 0.256 . . . . 0.0 110.381 179.982 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 73' ' ' VAL . . . . . . . . . . . . . 92.2 t -120.35 126.6 75.44 Favored 'Isoleucine or valine' 0 N--CA 1.463 0.213 0 CA-C-O 121.099 0.476 . . . . 0.0 110.165 179.7 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 74' ' ' GLN . . . . . . . . . . . . . 39.9 tp60 60.11 20.2 9.45 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-N 115.838 -0.619 . . . . 0.0 110.297 -179.824 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . 89.56 -2.94 83.32 Favored Glycine 0 CA--C 1.525 0.706 0 N-CA-C 111.124 -0.79 . . . . 0.0 111.124 179.944 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 76' ' ' ARG . . . . . . . . . . . . . 83.5 mmt-85 -103.63 124.94 49.75 Favored 'General case' 0 CA--C 1.519 -0.225 0 CA-C-O 120.98 0.419 . . . . 0.0 109.928 -179.81 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 88.6 tttt -104.52 105.23 15.26 Favored 'General case' 0 C--N 1.332 -0.19 0 CA-C-N 115.907 -0.588 . . . . 0.0 110.572 -179.836 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 78' ' ' TYR . . . . . . . . . . . . . 67.3 m-85 -94.36 -49.53 5.66 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.092 -0.504 . . . . 0.0 110.368 179.47 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 79' ' ' PHE . . . . . . . . . . . . . 25.1 p90 -155.34 160.09 40.45 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 115.946 -0.57 . . . . 0.0 110.643 179.992 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 80' ' ' THR . . . . . . . . . . . . . 97.4 m -128.44 129.27 45.89 Favored 'General case' 0 N--CA 1.465 0.288 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.626 179.969 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 81' ' ' CYS . . . . . . . . . . . . . 8.6 t -136.77 168.2 19.99 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.054 -0.521 . . . . 0.0 110.203 179.934 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 82' ' ' ASP . . . . . . . . . . . . . 98.3 m-20 -63.29 139.39 58.77 Favored 'General case' 0 C--N 1.325 -0.47 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.775 -179.709 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 80.9 mm-40 -51.11 116.6 2.09 Favored 'General case' 0 CA--C 1.514 -0.406 0 CA-C-N 115.933 -0.576 . . . . 0.0 109.883 179.796 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 84' ' ' GLY . . . . . 0.531 ' O ' ' N ' ' A' ' 66' ' ' LYS . . . 115.86 9.58 12.17 Favored Glycine 0 CA--C 1.527 0.795 0 N-CA-C 110.763 -0.935 . . . . 0.0 110.763 -179.957 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 85' ' ' HIS . . . . . 0.415 ' NE2' ' O ' ' A' ' 64' ' ' GLU . 32.0 m170 -134.68 169.39 17.4 Favored 'General case' 0 N--CA 1.467 0.399 0 O-C-N 122.603 -0.351 . . . . 0.0 110.842 179.883 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 86' ' ' GLY . . . . . . . . . . . . . . . 85.29 47.76 5.07 Favored Glycine 0 C--N 1.337 0.634 0 N-CA-C 111.081 -0.808 . . . . 0.0 111.081 -179.993 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 87' ' ' ILE . . . . . 0.622 HG22 HD21 ' A' ' 62' ' ' LEU . 16.7 tt -85.35 130.0 36.95 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.245 0 CA-C-O 121.026 0.441 . . . . 0.0 110.577 -179.911 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 88' ' ' PHE . . . . . . . . . . . . . 53.1 m-85 -77.24 136.54 38.54 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 115.838 -0.619 . . . . 0.0 110.586 -179.61 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 89' ' ' VAL . . . . . . . . . . . . . 33.8 m -140.56 158.11 24.38 Favored 'Isoleucine or valine' 0 C--O 1.236 0.355 0 CA-C-N 115.996 -0.547 . . . . 0.0 110.306 179.51 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 90' ' ' ARG . . . . . . . . . . . . . 84.1 mtp180 -77.76 150.69 34.33 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 115.835 -0.621 . . . . 0.0 110.329 179.67 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 91' ' ' GLN . . . . . . . . . . . . . 22.6 pt20 -63.18 -34.25 77.22 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.099 -0.5 . . . . 0.0 110.689 -179.75 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 77.6 p -72.52 -32.83 66.45 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.133 179.903 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 93' ' ' GLN . . . . . . . . . . . . . 3.2 tp-100 -69.38 -37.28 77.49 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.853 -179.199 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 94' ' ' ILE . . . . . 0.421 ' O ' HG23 ' A' ' 94' ' ' ILE . 19.5 tt -88.99 132.63 33.3 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.101 -179.868 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 95' ' ' GLN . . . . . . . . . . . . . 58.2 tt0 -139.4 155.26 47.74 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.172 -179.895 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 96' ' ' VAL . . . . . . . . . . . . . 6.2 p -120.11 131.48 72.36 Favored 'Isoleucine or valine' 0 N--CA 1.463 0.201 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.181 -179.876 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 97' ' ' PHE . . . . . . . . . . . . . 42.9 t80 . . . . . 0 C--O 1.219 -0.5 0 CA-C-O 117.992 -1.004 . . . . 0.0 110.451 -179.662 . . . . . . . . 0 0 . 1 . 008 nuclear build core ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 62.3 ttp180 . . . . . 0 CA--C 1.528 0.111 0 CA-C-O 120.923 0.392 . . . . 0.0 110.425 . . . . . . . . . 0 0 . 1 . 008 nuclear build core ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 35.3 m -64.08 133.48 29.65 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.425 179.889 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . 100.01 -14.1 60.17 Favored Glycine 0 CA--C 1.526 0.746 0 N-CA-C 110.837 -0.905 . . . . 0.0 110.837 -179.807 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 43.2 t -64.93 142.39 58.45 Favored 'General case' 0 C--O 1.24 0.571 0 CA-C-O 120.917 0.389 . . . . 0.0 110.48 -179.885 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 88.5 mtm180 -99.72 122.43 42.71 Favored 'General case' 0 C--O 1.233 0.221 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.348 -179.65 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 2.1 m -145.41 163.67 11.88 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.145 179.354 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 34' ' ' GLU . . . . . 0.405 ' O ' ' CG ' ' A' ' 34' ' ' GLU . 8.3 pt-20 -111.21 127.91 55.75 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.487 178.59 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 53.2 t -65.1 132.47 30.9 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.262 0 CA-C-O 121.06 0.457 . . . . 0.0 110.281 179.898 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 96.0 mt -74.35 129.59 36.47 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.453 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.952 -179.254 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 94.09 -39.6 2.89 Favored Glycine 0 CA--C 1.52 0.385 0 N-CA-C 111.047 -0.821 . . . . 0.0 111.047 179.129 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 53.3 mtmt -155.42 -145.09 0.15 Allowed 'General case' 0 C--N 1.329 -0.324 0 N-CA-C 110.32 -0.252 . . . . 0.0 110.32 -179.799 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 39' ' ' GLY . . . . . 0.483 ' O ' ' O ' ' A' ' 40' ' ' HIS . . . 39.25 78.5 0.05 OUTLIER Glycine 0 CA--C 1.524 0.63 0 N-CA-C 111.205 -0.758 . . . . 0.0 111.205 179.787 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 40' ' ' HIS . . . . . 0.483 ' O ' ' O ' ' A' ' 39' ' ' GLY . 34.1 m80 -45.65 177.62 0.0 OUTLIER 'General case' 0 C--N 1.332 -0.17 0 CA-C-O 121.125 0.488 . . . . 0.0 110.369 179.971 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 41' ' ' ARG . . . . . 0.535 ' O ' HD13 ' A' ' 62' ' ' LEU . 20.9 ptt-85 -42.49 135.73 2.65 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 116.059 -0.518 . . . . 0.0 110.867 -179.355 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -164.28 171.5 39.83 Favored Glycine 0 CA--C 1.519 0.328 0 N-CA-C 110.815 -0.914 . . . . 0.0 110.815 -179.599 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 14.8 m -123.48 132.65 53.98 Favored 'General case' 0 N--CA 1.465 0.297 0 CA-C-O 120.725 0.298 . . . . 0.0 110.472 -179.554 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 77.4 t -76.31 130.07 36.58 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.318 -179.699 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -130.36 -38.79 1.35 Allowed 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.309 -0.405 . . . . 0.0 110.602 -179.911 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 46' ' ' TYR . . . . . . . . . . . . . 63.9 t80 -117.59 117.71 30.14 Favored 'General case' 0 CA--C 1.518 -0.27 0 CA-C-N 116.339 -0.392 . . . . 0.0 110.506 -179.552 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 47' ' ' VAL . . . . . . . . . . . . . 2.8 p -130.8 122.28 51.96 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.261 0 CA-C-O 121.009 0.433 . . . . 0.0 110.326 179.566 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 160.67 -175.53 37.37 Favored Glycine 0 CA--C 1.521 0.442 0 N-CA-C 110.818 -0.913 . . . . 0.0 110.818 179.303 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -98.89 117.53 33.59 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-O 120.948 0.404 . . . . 0.0 110.357 179.574 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 50' ' ' THR . . . . . 0.41 ' O ' ' O ' ' A' ' 53' ' ' ALA . 71.3 p -87.35 148.31 25.1 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.434 179.963 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 51' ' ' LEU . . . . . 0.558 ' N ' HD12 ' A' ' 51' ' ' LEU . 8.7 mp -69.94 -13.43 62.24 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.169 -0.468 . . . . 0.0 110.304 179.934 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 52' ' ' PHE . . . . . . . . . . . . . 90.0 t80 -70.3 -28.01 64.84 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.492 -179.79 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 53' ' ' ALA . . . . . 0.41 ' O ' ' O ' ' A' ' 50' ' ' THR . . . -151.61 153.94 35.45 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.294 -0.412 . . . . 0.0 110.506 179.966 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 54' ' ' THR . . . . . . . . . . . . . 10.4 p -81.73 169.34 17.06 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.6 -179.822 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . 87.78 -146.14 19.77 Favored Glycine 0 CA--C 1.521 0.413 0 N-CA-C 110.712 -0.955 . . . . 0.0 110.712 -179.872 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 85.5 tttt -132.55 122.28 24.57 Favored 'General case' 0 N--CA 1.464 0.257 0 CA-C-O 120.826 0.346 . . . . 0.0 110.315 -179.945 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 57' ' ' TRP . . . . . . . . . . . . . 84.8 m95 -117.23 148.06 41.97 Favored 'General case' 0 C--O 1.234 0.24 0 CA-C-N 116.301 -0.409 . . . . 0.0 110.304 179.964 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 58' ' ' VAL . . . . . . . . . . . . . 53.0 t -125.49 124.14 66.28 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.308 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.504 179.976 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . -87.39 114.35 4.12 Favored Glycine 0 C--O 1.238 0.354 0 N-CA-C 110.476 -1.049 . . . . 0.0 110.476 179.669 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 60' ' ' VAL . . . . . . . . . . . . . 18.2 t -112.0 134.02 55.82 Favored 'Isoleucine or valine' 0 C--O 1.233 0.191 0 CA-C-O 121.088 0.47 . . . . 0.0 110.532 -179.302 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 61' ' ' ILE . . . . . 0.687 ' N ' HD12 ' A' ' 61' ' ' ILE . 1.6 mp -90.56 105.26 16.15 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.254 0 CA-C-N 116.094 -0.503 . . . . 0.0 109.959 179.291 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 62' ' ' LEU . . . . . 0.606 ' N ' HD22 ' A' ' 62' ' ' LEU . 3.3 mm? -69.14 139.82 54.7 Favored 'General case' 0 C--N 1.32 -0.687 0 CA-C-N 116.043 -0.526 . . . . 0.0 111.283 179.491 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 97.0 m-20 -77.94 -19.08 55.26 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-N 116.05 -0.523 . . . . 0.0 110.395 179.693 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 44.0 tt0 -110.5 146.33 36.18 Favored 'General case' 0 N--CA 1.466 0.344 0 CA-C-N 116.324 -0.398 . . . . 0.0 110.313 179.86 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -48.39 101.16 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.061 -0.518 . . . . 0.0 110.625 -179.48 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 66' ' ' LYS . . . . . 0.544 ' N ' ' O ' ' A' ' 84' ' ' GLY . 0.8 OUTLIER -115.83 109.26 17.39 Favored 'General case' 0 N--CA 1.464 0.237 0 CA-C-O 121.358 0.599 . . . . 0.0 110.253 179.422 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . -43.93 104.64 0.06 OUTLIER Glycine 0 CA--C 1.521 0.422 0 C-N-CA 120.638 -0.792 . . . . 0.0 112.101 -179.215 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 68' ' ' LYS . . . . . 0.419 ' NZ ' ' O ' ' A' ' 86' ' ' GLY . 19.0 tptm -169.35 134.58 1.51 Allowed 'General case' 0 N--CA 1.447 -0.604 0 CA-C-O 120.927 0.394 . . . . 0.0 110.68 179.307 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 69' ' ' ASN . . . . . . . . . . . . . 62.6 t30 -90.88 119.85 31.42 Favored 'General case' 0 C--O 1.233 0.223 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.33 178.938 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 70' ' ' ASP . . . . . 0.539 ' OD2' ' N ' ' A' ' 81' ' ' CYS . 13.9 t70 -120.89 101.87 7.99 Favored 'General case' 0 N--CA 1.467 0.393 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.498 179.62 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . -175.22 -148.91 6.99 Favored Glycine 0 CA--C 1.524 0.598 0 N-CA-C 110.912 -0.875 . . . . 0.0 110.912 179.729 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 72' ' ' THR . . . . . 0.448 ' H ' HG22 ' A' ' 72' ' ' THR . 0.0 OUTLIER -76.29 127.7 33.42 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.741 0.305 . . . . 0.0 110.415 -179.752 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 73' ' ' VAL . . . . . . . . . . . . . 64.2 t -119.64 128.11 75.88 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.268 0 CA-C-N 116.354 -0.385 . . . . 0.0 110.191 179.848 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 74' ' ' GLN . . . . . . . . . . . . . 97.9 mt-30 54.1 21.21 2.87 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.034 -0.53 . . . . 0.0 110.558 179.685 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . 89.58 2.06 76.7 Favored Glycine 0 CA--C 1.523 0.549 0 N-CA-C 110.809 -0.916 . . . . 0.0 110.809 179.854 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 76' ' ' ARG . . . . . . . . . . . . . 95.5 mtt-85 -96.29 115.34 27.28 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-O 121.017 0.436 . . . . 0.0 110.074 -179.851 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 88.4 tttt -104.99 92.99 4.46 Favored 'General case' 0 C--N 1.331 -0.207 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.712 -179.583 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 78' ' ' TYR . . . . . . . . . . . . . 38.8 m-85 -102.45 -35.91 8.61 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.347 -0.388 . . . . 0.0 110.373 179.235 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 79' ' ' PHE . . . . . . . . . . . . . 29.2 p90 -151.32 151.32 31.62 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.296 -0.411 . . . . 0.0 110.601 179.909 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 80' ' ' THR . . . . . . . . . . . . . 86.9 m -137.6 135.16 36.36 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.316 -0.402 . . . . 0.0 110.734 -179.818 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 81' ' ' CYS . . . . . 0.539 ' N ' ' OD2' ' A' ' 70' ' ' ASP . 18.6 t -155.64 164.28 38.82 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.264 179.42 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 82' ' ' ASP . . . . . . . . . . . . . 98.7 m-20 -66.57 141.36 57.87 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-O 121.095 0.474 . . . . 0.0 110.574 -179.923 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 17.2 pt-20 -52.14 146.43 8.97 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.06 -0.518 . . . . 0.0 110.336 179.813 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 84' ' ' GLY . . . . . 0.544 ' O ' ' N ' ' A' ' 66' ' ' LYS . . . 101.52 -13.87 58.05 Favored Glycine 0 CA--C 1.522 0.516 0 N-CA-C 110.579 -1.008 . . . . 0.0 110.579 179.981 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 85' ' ' HIS . . . . . . . . . . . . . 9.4 m-70 -138.59 160.3 39.94 Favored 'General case' 0 C--N 1.329 -0.289 0 O-C-N 122.503 -0.41 . . . . 0.0 110.265 -179.801 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 86' ' ' GLY . . . . . 0.419 ' O ' ' NZ ' ' A' ' 68' ' ' LYS . . . 104.64 45.9 1.36 Allowed Glycine 0 CA--C 1.521 0.432 0 N-CA-C 110.875 -0.89 . . . . 0.0 110.875 179.454 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 87' ' ' ILE . . . . . . . . . . . . . 79.4 mt -80.67 153.71 4.35 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.37 0 CA-C-O 121.056 0.455 . . . . 0.0 110.398 179.602 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 88' ' ' PHE . . . . . 0.501 ' O ' ' CD2' ' A' ' 88' ' ' PHE . 54.6 p90 -101.58 126.36 48.39 Favored 'General case' 0 C--O 1.232 0.177 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.301 179.415 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 89' ' ' VAL . . . . . . . . . . . . . 26.9 m -133.61 159.5 42.63 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.256 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.451 179.886 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 90' ' ' ARG . . . . . . . . . . . . . 86.1 mtm180 -87.33 167.89 13.65 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.588 -179.802 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 91' ' ' GLN . . . . . 0.433 ' O ' ' O ' ' A' ' 94' ' ' ILE . 27.7 mm100 -62.11 -43.85 97.93 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.48 -179.696 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 57.9 m -59.46 -35.25 73.72 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.642 179.977 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 93' ' ' GLN . . . . . . . . . . . . . 15.8 mm100 -68.43 -51.73 40.49 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.867 -179.322 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 94' ' ' ILE . . . . . 0.433 ' O ' ' O ' ' A' ' 91' ' ' GLN . 20.3 tt -90.84 133.28 33.09 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 116.266 -0.425 . . . . 0.0 110.728 -179.591 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 95' ' ' GLN . . . . . . . . . . . . . 57.9 tt0 -138.26 154.2 49.06 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 116.24 -0.437 . . . . 0.0 110.429 179.806 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 96' ' ' VAL . . . . . 0.426 ' H ' HG22 ' A' ' 96' ' ' VAL . 13.0 m -77.53 142.42 14.23 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.352 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.644 -179.86 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 97' ' ' PHE . . . . . . . . . . . . . 55.6 p90 . . . . . 0 C--O 1.22 -0.453 0 CA-C-O 118.003 -0.999 . . . . 0.0 110.64 -179.841 . . . . . . . . 0 0 . 1 . 009 nuclear build core ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 78.8 mtp85 . . . . . 0 C--O 1.232 0.136 0 CA-C-O 120.847 0.356 . . . . 0.0 110.723 . . . . . . . . . 0 0 . 1 . 009 nuclear build core ' A' A ' 29' ' ' VAL . . . . . 0.451 ' O ' HG23 ' A' ' 29' ' ' VAL . 19.1 m -64.3 129.94 28.76 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-O 121.111 0.481 . . . . 0.0 110.32 179.874 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . 101.64 -14.55 57.68 Favored Glycine 0 CA--C 1.526 0.769 0 N-CA-C 110.875 -0.89 . . . . 0.0 110.875 -179.81 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 35.4 t -67.41 140.93 57.18 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-O 121.068 0.461 . . . . 0.0 110.559 179.942 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 99.9 mtt180 -101.38 124.89 47.79 Favored 'General case' 0 C--O 1.233 0.197 0 CA-C-O 121.03 0.443 . . . . 0.0 110.477 179.982 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 2.5 m -144.68 170.51 7.37 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.41 179.586 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 34' ' ' GLU . . . . . 0.422 ' O ' ' CG ' ' A' ' 34' ' ' GLU . 8.1 pt-20 -121.32 126.51 49.67 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.349 -0.387 . . . . 0.0 110.578 178.85 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 4.6 t -60.63 135.25 25.56 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.414 0 CA-C-N 116.295 -0.411 . . . . 0.0 110.315 179.939 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 96.6 mt -72.33 128.04 34.87 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.425 0 CA-C-N 116.143 -0.48 . . . . 0.0 111.035 -179.095 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 94.73 -42.25 2.44 Favored Glycine 0 C--N 1.33 0.237 0 N-CA-C 111.252 -0.739 . . . . 0.0 111.252 179.3 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 38' ' ' LYS . . . . . 0.406 ' O ' ' C ' ' A' ' 39' ' ' GLY . 97.3 mttt -154.67 -137.97 0.07 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.567 0.222 . . . . 0.0 110.718 179.822 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 39' ' ' GLY . . . . . 0.489 ' O ' ' O ' ' A' ' 40' ' ' HIS . . . 38.72 80.97 0.02 OUTLIER Glycine 0 CA--C 1.524 0.601 0 N-CA-C 111.11 -0.796 . . . . 0.0 111.11 179.66 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 40' ' ' HIS . . . . . 0.515 ' ND1' ' CE ' ' A' ' 66' ' ' LYS . 62.6 m80 -45.8 176.46 0.0 OUTLIER 'General case' 0 C--N 1.328 -0.347 0 CA-C-O 120.935 0.397 . . . . 0.0 110.39 -179.588 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 99.9 mtt180 -44.05 146.36 0.63 Allowed 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 116.266 -0.424 . . . . 0.0 110.767 -179.419 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -167.05 160.86 34.67 Favored Glycine 0 CA--C 1.52 0.394 0 N-CA-C 110.832 -0.907 . . . . 0.0 110.832 -179.901 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 5.2 m -113.36 133.34 55.2 Favored 'General case' 0 C--N 1.332 -0.178 0 CA-C-O 120.81 0.338 . . . . 0.0 110.612 -179.726 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 84.2 t -68.8 132.31 33.07 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.345 -179.72 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -123.59 -33.71 3.17 Favored 'General case' 0 CA--C 1.519 -0.223 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.784 -179.949 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 46' ' ' TYR . . . . . . . . . . . . . 87.5 t80 -132.64 123.41 26.33 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.322 -0.399 . . . . 0.0 110.739 -179.835 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 47' ' ' VAL . . . . . 0.41 ' O ' HG13 ' A' ' 47' ' ' VAL . 3.4 p -127.93 121.98 57.52 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.355 179.765 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 160.41 174.64 30.47 Favored Glycine 0 CA--C 1.524 0.599 0 N-CA-C 110.862 -0.895 . . . . 0.0 110.862 179.79 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -90.94 113.75 26.06 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-O 120.931 0.396 . . . . 0.0 110.474 179.664 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 50' ' ' THR . . . . . 0.494 ' O ' ' O ' ' A' ' 53' ' ' ALA . 60.8 p -76.07 143.66 41.2 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.633 -179.898 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 68.9 mt -70.85 -17.73 62.73 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.601 -179.792 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 52' ' ' PHE . . . . . . . . . . . . . 85.1 t80 -71.12 -23.39 62.08 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.605 -179.676 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 53' ' ' ALA . . . . . 0.494 ' O ' ' O ' ' A' ' 50' ' ' THR . . . -151.35 150.68 30.78 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-N 116.229 -0.442 . . . . 0.0 110.578 -179.941 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 54' ' ' THR . . . . . 0.407 ' O ' ' NE1' ' A' ' 57' ' ' TRP . 73.1 p -78.04 167.71 21.02 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.631 179.894 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . 86.41 -172.73 45.3 Favored Glycine 0 CA--C 1.521 0.438 0 N-CA-C 110.882 -0.887 . . . . 0.0 110.882 -179.898 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 88.8 tttt -103.82 118.09 35.87 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-O 121.028 0.442 . . . . 0.0 110.693 179.853 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 57' ' ' TRP . . . . . 0.407 ' NE1' ' O ' ' A' ' 54' ' ' THR . 63.0 m95 -112.08 142.81 44.06 Favored 'General case' 0 C--O 1.234 0.238 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.455 179.817 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 58' ' ' VAL . . . . . . . . . . . . . 54.7 t -126.91 122.69 60.99 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.153 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.673 179.863 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . -84.0 111.89 3.51 Favored Glycine 0 CA--C 1.521 0.442 0 N-CA-C 110.641 -0.984 . . . . 0.0 110.641 179.71 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 60' ' ' VAL . . . . . 0.481 ' C ' HD12 ' A' ' 61' ' ' ILE . 46.2 t -113.55 140.49 33.59 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-O 121.134 0.493 . . . . 0.0 110.917 -179.629 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 61' ' ' ILE . . . . . 0.671 HD12 ' N ' ' A' ' 61' ' ' ILE . 1.7 mp -98.12 111.82 28.75 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.317 0 CA-C-N 116.112 -0.495 . . . . 0.0 109.733 179.156 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 62' ' ' LEU . . . . . 1.059 HD22 ' H ' ' A' ' 62' ' ' LEU . 0.2 OUTLIER -80.65 141.33 35.04 Favored 'General case' 0 C--N 1.324 -0.531 0 CA-C-N 116.258 -0.428 . . . . 0.0 111.319 -179.497 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 32.4 t70 -64.65 -39.11 93.12 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.443 179.85 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 79.5 mm-40 -83.56 160.15 21.5 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.492 179.813 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -68.61 97.55 0.8 Allowed 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.784 -179.942 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 66' ' ' LYS . . . . . 0.515 ' CE ' ' ND1' ' A' ' 40' ' ' HIS . 67.2 mmtt -109.77 109.25 19.87 Favored 'General case' 0 N--CA 1.465 0.287 0 CA-C-O 121.154 0.502 . . . . 0.0 110.328 179.6 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . -44.03 110.12 0.32 Allowed Glycine 0 N--CA 1.452 -0.245 0 C-N-CA 120.674 -0.774 . . . . 0.0 111.943 -179.254 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 68' ' ' LYS . . . . . 0.43 ' H ' ' HA2' ' A' ' 84' ' ' GLY . 50.1 tptt -168.82 128.19 1.11 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.739 0.304 . . . . 0.0 110.274 179.821 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 69' ' ' ASN . . . . . . . . . . . . . 98.3 m-20 -89.54 121.62 31.92 Favored 'General case' 0 CA--C 1.516 -0.354 0 CA-C-N 116.254 -0.43 . . . . 0.0 111.118 179.826 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 70' ' ' ASP . . . . . 0.526 ' OD2' ' N ' ' A' ' 81' ' ' CYS . 8.0 t70 -122.69 104.32 9.24 Favored 'General case' 0 C--O 1.233 0.195 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.403 179.66 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . 175.05 -162.12 31.74 Favored Glycine 0 CA--C 1.524 0.651 0 N-CA-C 110.904 -0.878 . . . . 0.0 110.904 179.76 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 72' ' ' THR . . . . . 0.461 HG22 ' H ' ' A' ' 72' ' ' THR . 0.0 OUTLIER -55.29 121.84 9.78 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-O 121.024 0.44 . . . . 0.0 110.341 -179.861 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 73' ' ' VAL . . . . . 0.403 ' O ' HG13 ' A' ' 73' ' ' VAL . 8.5 p -127.94 134.03 66.08 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.191 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.689 -179.779 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 74' ' ' GLN . . . . . . . . . . . . . 87.1 mm-40 53.52 25.8 5.08 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.5 -179.873 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . 80.27 13.87 81.21 Favored Glycine 0 CA--C 1.52 0.353 0 N-CA-C 110.932 -0.867 . . . . 0.0 110.932 179.992 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 76' ' ' ARG . . . . . . . . . . . . . 62.7 ttm-85 -112.86 115.19 28.06 Favored 'General case' 0 C--O 1.233 0.212 0 CA-C-O 121.05 0.452 . . . . 0.0 110.32 -179.804 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 61.3 tttp -106.58 90.12 3.24 Favored 'General case' 0 C--O 1.234 0.242 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.677 179.827 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 78' ' ' TYR . . . . . . . . . . . . . 2.7 m-85 -107.98 -32.67 7.47 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.353 -0.385 . . . . 0.0 110.615 179.701 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 79' ' ' PHE . . . . . . . . . . . . . 35.5 p90 -149.15 148.51 29.73 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.667 -179.542 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 80' ' ' THR . . . . . . . . . . . . . 91.7 m -147.56 136.34 21.99 Favored 'General case' 0 CA--C 1.519 -0.223 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.55 179.928 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 81' ' ' CYS . . . . . 0.526 ' N ' ' OD2' ' A' ' 70' ' ' ASP . 32.5 t -147.1 174.47 11.53 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.434 179.76 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 82' ' ' ASP . . . . . 0.49 ' N ' ' SG ' ' A' ' 81' ' ' CYS . 93.2 m-20 -61.0 140.42 57.83 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.698 -180.0 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 85.4 tt0 -52.65 141.07 21.7 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.235 179.763 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 84' ' ' GLY . . . . . 0.458 ' C ' ' O ' ' A' ' 66' ' ' LYS . . . 85.85 21.49 52.95 Favored Glycine 0 CA--C 1.526 0.725 0 N-CA-C 110.542 -1.023 . . . . 0.0 110.542 -179.615 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 85' ' ' HIS . . . . . 0.435 ' CE1' ' O ' ' A' ' 62' ' ' LEU . 90.7 m-70 -148.11 168.69 21.76 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-O 120.831 0.348 . . . . 0.0 110.626 179.914 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 86' ' ' GLY . . . . . . . . . . . . . . . 91.22 37.91 6.12 Favored Glycine 0 CA--C 1.52 0.374 0 N-CA-C 111.205 -0.758 . . . . 0.0 111.205 179.678 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 87' ' ' ILE . . . . . . . . . . . . . 2.7 mm -68.24 136.17 27.0 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-O 120.905 0.383 . . . . 0.0 110.385 179.885 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 88' ' ' PHE . . . . . 0.527 ' CD1' ' O ' ' A' ' 88' ' ' PHE . 50.1 p90 -90.49 129.83 36.61 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.044 -0.525 . . . . 0.0 110.873 -179.945 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 89' ' ' VAL . . . . . . . . . . . . . 2.8 m -137.17 161.22 35.46 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.175 0 CA-C-N 116.123 -0.489 . . . . 0.0 110.571 179.908 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 90' ' ' ARG . . . . . . . . . . . . . 84.1 mtp180 -97.18 173.16 7.38 Favored 'General case' 0 C--N 1.331 -0.213 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.638 179.849 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 91' ' ' GLN . . . . . 0.441 ' O ' ' O ' ' A' ' 94' ' ' ILE . 25.9 mt-30 -64.63 -32.35 73.98 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.663 -179.872 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 71.1 m -60.78 -43.87 97.52 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.603 -179.866 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 93' ' ' GLN . . . . . . . . . . . . . 72.2 mm-40 -71.8 -41.45 68.25 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.565 -179.986 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 94' ' ' ILE . . . . . 0.441 ' O ' ' O ' ' A' ' 91' ' ' GLN . 4.7 mm -87.86 120.76 37.44 Favored 'Isoleucine or valine' 0 CA--C 1.518 -0.26 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.653 -179.935 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 95' ' ' GLN . . . . . . . . . . . . . 54.4 tt0 -130.42 127.59 39.61 Favored 'General case' 0 C--N 1.331 -0.207 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.574 -179.797 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 96' ' ' VAL . . . . . . . . . . . . . 23.1 m -74.07 133.45 31.58 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.619 -179.879 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 97' ' ' PHE . . . . . . . . . . . . . 91.3 m-85 . . . . . 0 C--O 1.218 -0.554 0 CA-C-O 118.049 -0.977 . . . . 0.0 110.546 179.972 . . . . . . . . 0 0 . 1 . 010 nuclear build core ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 95.9 mtt-85 . . . . . 0 C--O 1.233 0.186 0 CA-C-O 121.035 0.445 . . . . 0.0 110.773 . . . . . . . . . 0 0 . 1 . 010 nuclear build core ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 35.8 m -65.96 134.53 29.69 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.393 0 CA-C-N 115.99 -0.55 . . . . 0.0 110.274 179.971 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . 95.31 -14.39 65.18 Favored Glycine 0 CA--C 1.524 0.632 0 N-CA-C 110.759 -0.937 . . . . 0.0 110.759 -179.791 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 46.7 t -67.31 141.24 57.24 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 120.705 0.288 . . . . 0.0 110.401 179.835 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 32' ' ' ARG . . . . . 0.452 HH12 ' NH1' ' A' ' 41' ' ' ARG . 69.1 ttp85 -106.64 123.62 48.39 Favored 'General case' 0 N--CA 1.464 0.253 0 CA-C-O 120.865 0.364 . . . . 0.0 110.444 179.85 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 2.8 m -145.86 165.74 9.67 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.232 0 CA-C-N 115.988 -0.551 . . . . 0.0 110.354 179.781 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 34' ' ' GLU . . . . . 0.435 ' O ' ' CG ' ' A' ' 34' ' ' GLU . 8.4 pt-20 -113.27 126.14 55.08 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.177 179.174 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 35' ' ' VAL . . . . . 0.403 ' O ' ' O ' ' A' ' 38' ' ' LYS . 15.0 t -65.23 133.81 30.18 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 N-CA-C 109.93 -0.396 . . . . 0.0 109.93 -179.975 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 25.4 mm -74.84 132.22 33.7 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.51 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.888 -179.243 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 93.31 -36.58 3.67 Favored Glycine 0 CA--C 1.525 0.674 0 N-CA-C 111.049 -0.82 . . . . 0.0 111.049 179.554 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 38' ' ' LYS . . . . . 0.403 ' O ' ' O ' ' A' ' 35' ' ' VAL . 59.9 pttt -161.28 -142.97 0.09 Allowed 'General case' 0 C--N 1.328 -0.352 0 N-CA-C 110.228 -0.286 . . . . 0.0 110.228 179.991 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 39' ' ' GLY . . . . . 0.463 ' O ' ' O ' ' A' ' 40' ' ' HIS . . . 37.65 78.39 0.05 OUTLIER Glycine 0 CA--C 1.524 0.631 0 N-CA-C 111.279 -0.729 . . . . 0.0 111.279 179.739 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 40' ' ' HIS . . . . . 0.567 ' CE1' ' HZ3' ' A' ' 66' ' ' LYS . 57.1 m170 -45.57 175.84 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.893 0.378 . . . . 0.0 110.6 -179.797 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 41' ' ' ARG . . . . . 0.452 ' NH1' HH12 ' A' ' 32' ' ' ARG . 90.9 mtt-85 -44.91 144.84 1.07 Allowed 'General case' 0 C--N 1.326 -0.418 0 CA-C-N 116.331 -0.395 . . . . 0.0 110.747 -179.675 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -167.83 170.84 42.06 Favored Glycine 0 CA--C 1.523 0.543 0 N-CA-C 110.764 -0.934 . . . . 0.0 110.764 -179.708 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 58.5 m -121.81 131.74 54.22 Favored 'General case' 0 N--CA 1.465 0.322 0 CA-C-O 120.921 0.391 . . . . 0.0 110.531 -179.69 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 90.4 t -68.5 132.58 32.76 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.251 0 CA-C-N 116.038 -0.528 . . . . 0.0 110.204 -179.723 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -124.8 -46.17 1.86 Allowed 'General case' 0 N--CA 1.463 0.188 0 CA-C-N 116.359 -0.382 . . . . 0.0 110.439 -179.768 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 46' ' ' TYR . . . . . . . . . . . . . 74.4 t80 -117.19 120.04 37.05 Favored 'General case' 0 N--CA 1.467 0.411 0 CA-C-N 116.385 -0.37 . . . . 0.0 110.285 179.875 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 47' ' ' VAL . . . . . . . . . . . . . 2.7 p -132.71 123.35 48.91 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.205 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.444 179.925 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 160.51 -179.78 35.8 Favored Glycine 0 CA--C 1.521 0.461 0 N-CA-C 110.682 -0.967 . . . . 0.0 110.682 179.439 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -99.56 112.81 24.97 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.808 0.337 . . . . 0.0 110.33 179.463 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 50' ' ' THR . . . . . 0.408 ' O ' ' O ' ' A' ' 53' ' ' ALA . 76.6 p -78.7 145.87 34.28 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.091 -0.504 . . . . 0.0 110.485 179.85 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 51' ' ' LEU . . . . . 0.564 HD22 ' N ' ' A' ' 51' ' ' LEU . 3.9 mm? -67.23 -15.09 63.49 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.471 -179.885 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 52' ' ' PHE . . . . . . . . . . . . . 80.8 t80 -69.93 -29.46 66.63 Favored 'General case' 0 C--N 1.325 -0.496 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.404 -180.0 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 53' ' ' ALA . . . . . 0.408 ' O ' ' O ' ' A' ' 50' ' ' THR . . . -151.48 145.79 25.45 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-O 120.851 0.358 . . . . 0.0 110.419 179.759 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 54' ' ' THR . . . . . 0.489 HG22 ' N ' ' A' ' 55' ' ' GLY . 32.5 m -80.63 160.53 25.04 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.364 -179.889 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 55' ' ' GLY . . . . . 0.489 ' N ' HG22 ' A' ' 54' ' ' THR . . . 106.5 -138.58 14.47 Favored Glycine 0 N--CA 1.463 0.461 0 N-CA-C 110.604 -0.998 . . . . 0.0 110.604 179.939 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 88.6 tttt -136.56 119.02 15.8 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.785 0.326 . . . . 0.0 110.388 -179.946 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 57' ' ' TRP . . . . . . . . . . . . . 20.5 m95 -112.86 132.42 55.3 Favored 'General case' 0 N--CA 1.464 0.241 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.124 179.708 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 58' ' ' VAL . . . . . . . . . . . . . 59.0 t -124.95 125.54 69.78 Favored 'Isoleucine or valine' 0 N--CA 1.462 0.154 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.447 179.888 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . -98.23 113.17 4.65 Favored Glycine 0 CA--C 1.52 0.399 0 N-CA-C 110.093 -1.203 . . . . 0.0 110.093 179.569 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 60' ' ' VAL . . . . . . . . . . . . . 20.5 t -111.12 130.91 63.73 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.282 0 CA-C-O 121.107 0.479 . . . . 0.0 110.697 -179.523 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 61' ' ' ILE . . . . . 0.669 HD12 ' N ' ' A' ' 61' ' ' ILE . 1.6 mp -85.03 103.46 12.21 Favored 'Isoleucine or valine' 0 CA--C 1.517 -0.292 0 CA-C-N 115.927 -0.578 . . . . 0.0 109.528 179.157 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 62' ' ' LEU . . . . . 0.665 HD12 ' CB ' ' A' ' 66' ' ' LYS . 7.8 mt -75.08 144.78 42.77 Favored 'General case' 0 C--N 1.321 -0.651 0 CA-C-N 115.978 -0.555 . . . . 0.0 111.043 -179.323 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 63' ' ' ASP . . . . . 0.454 ' OD1' ' N ' ' A' ' 63' ' ' ASP . 29.9 p-10 -74.73 -40.86 61.03 Favored 'General case' 0 C--N 1.325 -0.493 0 CA-C-N 116.06 -0.518 . . . . 0.0 110.804 179.384 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 64' ' ' GLU . . . . . 0.431 ' N ' ' OD1' ' A' ' 63' ' ' ASP . 41.5 tp10 -79.18 149.45 31.96 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.23 179.994 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -59.23 95.87 0.03 OUTLIER 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.38 -0.373 . . . . 0.0 110.787 179.967 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 66' ' ' LYS . . . . . 0.665 ' CB ' HD12 ' A' ' 62' ' ' LEU . 18.3 tptt -109.57 112.06 23.93 Favored 'General case' 0 N--CA 1.461 0.079 0 CA-C-O 121.538 0.685 . . . . 0.0 109.887 179.885 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . -45.44 105.41 0.09 OUTLIER Glycine 0 N--CA 1.445 -0.709 0 C-N-CA 120.436 -0.887 . . . . 0.0 111.945 -179.342 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 52.7 tptt -165.49 133.16 2.99 Favored 'General case' 0 C--N 1.323 -0.556 0 CA-C-N 115.388 -0.406 . . . . 0.0 110.509 179.14 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 69' ' ' ASN . . . . . . . . . . . . . 31.3 p-10 -100.48 123.61 44.93 Favored 'General case' 0 N--CA 1.464 0.253 0 CA-C-N 116.324 -0.398 . . . . 0.0 110.821 179.215 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 -121.88 103.15 8.64 Favored 'General case' 0 N--CA 1.469 0.475 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.3 179.425 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . -176.79 -150.4 8.26 Favored Glycine 0 CA--C 1.524 0.603 0 N-CA-C 110.964 -0.854 . . . . 0.0 110.964 179.684 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 72' ' ' THR . . . . . . . . . . . . . 1.7 p -77.06 125.13 28.82 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-O 120.853 0.358 . . . . 0.0 110.412 -179.679 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 73' ' ' VAL . . . . . . . . . . . . . 16.3 m -143.18 147.64 20.22 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.456 179.917 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 74' ' ' GLN . . . . . . . . . . . . . 98.9 mm-40 56.13 19.51 3.84 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.609 179.996 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . 77.03 16.88 80.36 Favored Glycine 0 CA--C 1.523 0.584 0 N-CA-C 111.026 -0.83 . . . . 0.0 111.026 179.64 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 76' ' ' ARG . . . . . . . . . . . . . 96.5 mtt-85 -128.72 134.44 48.46 Favored 'General case' 0 N--CA 1.464 0.271 0 CA-C-O 120.913 0.387 . . . . 0.0 110.054 -179.907 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 63.1 tttm -104.27 104.08 13.93 Favored 'General case' 0 C--N 1.331 -0.203 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.495 179.9 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 78' ' ' TYR . . . . . . . . . . . . . 88.1 m-85 -90.82 -52.02 5.07 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.515 179.503 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 79' ' ' PHE . . . . . . . . . . . . . 3.2 p90 -156.76 161.97 39.77 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.338 -179.976 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 80' ' ' THR . . . . . . . . . . . . . 92.9 m -127.86 129.12 46.4 Favored 'General case' 0 N--CA 1.466 0.342 0 CA-C-N 116.085 -0.507 . . . . 0.0 110.678 179.978 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 81' ' ' CYS . . . . . . . . . . . . . 10.3 m -154.09 154.99 34.61 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.005 -0.543 . . . . 0.0 110.142 179.674 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 82' ' ' ASP . . . . . . . . . . . . . 90.9 m-20 -56.2 138.18 50.58 Favored 'General case' 0 C--O 1.237 0.403 0 CA-C-O 121.296 0.569 . . . . 0.0 110.399 -179.861 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 82.1 tt0 -57.9 131.37 50.2 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 115.845 -0.616 . . . . 0.0 109.926 -179.776 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 84' ' ' GLY . . . . . 0.463 ' O ' ' O ' ' A' ' 66' ' ' LYS . . . 115.46 -8.69 20.07 Favored Glycine 0 CA--C 1.523 0.548 0 N-CA-C 110.549 -1.02 . . . . 0.0 110.549 -179.753 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 85' ' ' HIS . . . . . 0.543 ' ND1' ' O ' ' A' ' 62' ' ' LEU . 14.2 m-70 -139.81 168.28 20.19 Favored 'General case' 0 N--CA 1.463 0.224 0 CA-C-O 120.707 0.289 . . . . 0.0 110.472 -179.966 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 86' ' ' GLY . . . . . . . . . . . . . . . 95.9 44.23 3.14 Favored Glycine 0 CA--C 1.522 0.523 0 N-CA-C 111.019 -0.833 . . . . 0.0 111.019 179.786 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 87' ' ' ILE . . . . . . . . . . . . . 7.2 tp -73.18 145.44 11.74 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.421 0 CA-C-O 120.745 0.307 . . . . 0.0 110.609 -179.855 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 88' ' ' PHE . . . . . 0.538 ' O ' ' CD2' ' A' ' 88' ' ' PHE . 52.3 p90 -92.83 121.3 34.07 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-O 120.907 0.384 . . . . 0.0 110.178 179.566 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 89' ' ' VAL . . . . . . . . . . . . . 11.9 m -138.3 167.26 21.95 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.085 -0.507 . . . . 0.0 110.404 -179.775 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 90' ' ' ARG . . . . . . . . . . . . . 86.7 mtm-85 -112.74 179.1 4.07 Favored 'General case' 0 N--CA 1.465 0.301 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.28 -179.854 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 91' ' ' GLN . . . . . 0.448 ' O ' ' O ' ' A' ' 94' ' ' ILE . 31.9 mt-30 -66.26 -32.34 73.7 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.048 -0.524 . . . . 0.0 110.497 179.792 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 10.7 t -61.56 -42.21 98.5 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.6 179.866 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 93' ' ' GLN . . . . . . . . . . . . . 7.8 mm100 -69.39 -38.39 77.95 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.518 -179.701 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 94' ' ' ILE . . . . . 0.448 ' O ' ' O ' ' A' ' 91' ' ' GLN . 96.4 mt -91.61 120.96 41.59 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.498 179.721 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 95' ' ' GLN . . . . . . . . . . . . . 98.8 mm-40 -107.83 114.95 29.27 Favored 'General case' 0 N--CA 1.465 0.288 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.131 179.406 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 96' ' ' VAL . . . . . . . . . . . . . 86.2 t -70.93 133.17 32.33 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 115.862 -0.608 . . . . 0.0 110.204 -179.846 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 97' ' ' PHE . . . . . . . . . . . . . 92.7 t80 . . . . . 0 C--O 1.219 -0.517 0 CA-C-O 118.141 -0.933 . . . . 0.0 110.453 179.856 . . . . . . . . 0 0 . 1 . 001 nuclear build full ' A' A ' 27' ' ' LEU . . . . . 0.524 HD12 ' C ' ' A' ' 27' ' ' LEU . 0.5 OUTLIER . . . . . 0 N--CA 1.49 1.562 0 N-CA-C 109.128 -0.693 . . . . 0.0 109.128 . . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 84.3 mtp180 -100.82 139.99 35.74 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 121.107 0.479 . . . . 0.0 110.673 179.969 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 7.5 p -66.41 134.13 30.32 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.382 0 CA-C-N 116.048 -0.524 . . . . 0.0 110.166 -179.97 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . 103.5 -17.77 49.66 Favored Glycine 0 CA--C 1.526 0.724 0 N-CA-C 110.747 -0.941 . . . . 0.0 110.747 -179.748 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 26.7 p -72.31 154.32 41.02 Favored 'General case' 0 C--N 1.329 -0.283 0 N-CA-C 110.179 -0.304 . . . . 0.0 110.179 179.895 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 76.0 ttt180 -112.83 123.76 51.05 Favored 'General case' 0 N--CA 1.464 0.271 0 CA-C-O 120.9 0.381 . . . . 0.0 110.483 179.876 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 2.9 m -143.97 167.55 12.21 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 115.954 -0.566 . . . . 0.0 110.264 -179.855 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 84.6 tt0 -108.79 120.5 42.68 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.023 179.041 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 47.0 t -62.74 143.43 15.47 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.181 -179.99 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 19.2 mm -81.33 130.76 35.3 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.441 0 CA-C-N 116.105 -0.498 . . . . 0.0 111.08 -179.302 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 92.82 -38.04 3.26 Favored Glycine 0 CA--C 1.523 0.555 0 N-CA-C 111.122 -0.791 . . . . 0.0 111.122 179.628 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 38' ' ' LYS . . . . . 0.403 ' HG2' ' H ' ' A' ' 39' ' ' GLY . 44.1 tttm -161.83 -136.23 0.03 OUTLIER 'General case' 0 C--N 1.327 -0.381 0 C-N-CA 120.965 -0.294 . . . . 0.0 110.353 179.813 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 39' ' ' GLY . . . . . 0.465 ' O ' ' O ' ' A' ' 40' ' ' HIS . . . 37.77 77.67 0.06 OUTLIER Glycine 0 CA--C 1.523 0.592 0 N-CA-C 111.221 -0.752 . . . . 0.0 111.221 179.852 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 40' ' ' HIS . . . . . 0.539 ' CG ' ' H ' ' A' ' 41' ' ' ARG . 32.2 t-80 -45.59 175.56 0.0 OUTLIER 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 120.888 0.375 . . . . 0.0 110.5 -179.685 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 41' ' ' ARG . . . . . 0.539 ' H ' ' CG ' ' A' ' 40' ' ' HIS . 84.4 mtp180 -46.15 140.5 3.89 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.677 -179.74 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -165.92 168.9 39.95 Favored Glycine 0 CA--C 1.522 0.513 0 N-CA-C 110.69 -0.964 . . . . 0.0 110.69 179.981 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 89.9 m -119.34 131.44 55.71 Favored 'General case' 0 N--CA 1.466 0.331 0 CA-C-O 120.902 0.382 . . . . 0.0 110.623 -179.808 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 95.8 t -65.97 129.92 30.77 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.02 -0.536 . . . . 0.0 109.826 -179.925 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 45' ' ' ALA . . . . . 0.498 ' HB2' HD13 ' A' ' 61' ' ' ILE . . . -112.19 -41.77 3.87 Favored 'General case' 0 N--CA 1.465 0.292 0 CA-C-N 116.288 -0.415 . . . . 0.0 110.707 -179.747 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 46' ' ' TYR . . . . . . . . . . . . . 88.4 t80 -136.8 129.78 30.89 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.394 -0.366 . . . . 0.0 110.797 -179.786 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 47' ' ' VAL . . . . . . . . . . . . . 1.6 p -129.64 124.92 60.32 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.234 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.442 179.669 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 160.96 -168.4 36.29 Favored Glycine 0 CA--C 1.519 0.333 0 N-CA-C 110.566 -1.014 . . . . 0.0 110.566 179.48 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -114.3 114.17 25.57 Favored 'General case' 0 N--CA 1.464 0.235 0 CA-C-O 120.872 0.368 . . . . 0.0 110.211 179.575 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 50' ' ' THR . . . . . 0.464 ' O ' ' O ' ' A' ' 53' ' ' ALA . 45.4 p -82.25 146.06 29.68 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.52 -179.956 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 63.4 mt -66.24 -22.0 66.31 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.55 179.962 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 52' ' ' PHE . . . . . . . . . . . . . 68.7 t80 -69.09 -28.67 66.71 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-N 116.136 -0.483 . . . . 0.0 110.723 -179.652 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 53' ' ' ALA . . . . . 0.464 ' O ' ' O ' ' A' ' 50' ' ' THR . . . -137.15 139.26 41.04 Favored 'General case' 0 N--CA 1.465 0.278 0 CA-C-O 120.96 0.409 . . . . 0.0 110.559 179.946 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 54' ' ' THR . . . . . 0.551 HG22 ' N ' ' A' ' 55' ' ' GLY . 43.3 m -79.36 161.1 26.42 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.661 -179.745 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 55' ' ' GLY . . . . . 0.551 ' N ' HG22 ' A' ' 54' ' ' THR . . . 86.35 -161.2 33.88 Favored Glycine 0 CA--C 1.52 0.374 0 N-CA-C 110.629 -0.988 . . . . 0.0 110.629 179.909 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 64.9 tttp -110.16 135.55 50.77 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-O 120.719 0.295 . . . . 0.0 110.427 179.882 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 57' ' ' TRP . . . . . . . . . . . . . 92.6 m95 -138.08 142.48 40.26 Favored 'General case' 0 C--O 1.234 0.277 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.177 179.998 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 58' ' ' VAL . . . . . . . . . . . . . 55.4 t -124.95 128.97 73.5 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.227 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.514 -179.943 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . -90.86 119.13 5.55 Favored Glycine 0 N--CA 1.459 0.213 0 N-CA-C 109.967 -1.253 . . . . 0.0 109.967 179.381 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 60' ' ' VAL . . . . . 0.453 ' C ' HD12 ' A' ' 61' ' ' ILE . 39.9 t -119.73 139.13 48.07 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.234 0 CA-C-O 121.103 0.478 . . . . 0.0 110.778 -179.345 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 61' ' ' ILE . . . . . 0.599 HD12 ' N ' ' A' ' 61' ' ' ILE . 1.7 mp -99.49 110.08 25.91 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.236 0 N-CA-C 108.943 -0.762 . . . . 0.0 108.943 178.92 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 62' ' ' LEU . . . . . 0.997 HD22 ' H ' ' A' ' 62' ' ' LEU . 0.4 OUTLIER -76.11 145.31 40.1 Favored 'General case' 0 C--N 1.322 -0.598 0 CA-C-N 115.62 -0.718 . . . . 0.0 111.244 -179.621 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 58.6 t0 -64.31 -36.49 84.27 Favored 'General case' 0 N--CA 1.449 -0.498 0 CA-C-N 115.729 -0.669 . . . . 0.0 110.303 179.879 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 97.9 mt-10 -91.47 177.59 6.19 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 115.994 -0.548 . . . . 0.0 110.374 179.871 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -79.73 100.24 7.81 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.827 -179.744 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 66' ' ' LYS . . . . . 0.458 ' O ' ' O ' ' A' ' 84' ' ' GLY . 13.7 tptt -103.26 107.29 18.06 Favored 'General case' 0 N--CA 1.466 0.365 0 N-CA-C 109.662 -0.496 . . . . 0.0 109.662 179.972 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . -42.76 103.21 0.04 OUTLIER Glycine 0 C--N 1.315 -0.595 0 C-N-CA 120.449 -0.881 . . . . 0.0 112.114 -179.252 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 29.0 tptp -166.14 134.71 3.01 Favored 'General case' 0 N--CA 1.449 -0.493 0 CA-C-N 115.041 -0.579 . . . . 0.0 110.889 179.185 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 69' ' ' ASN . . . . . . . . . . . . . 58.9 t30 -91.1 119.19 31.04 Favored 'General case' 0 C--O 1.232 0.168 0 CA-C-N 116.298 -0.41 . . . . 0.0 110.4 179.013 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 70' ' ' ASP . . . . . 0.551 ' OD2' ' N ' ' A' ' 81' ' ' CYS . 10.7 t70 -122.01 103.77 9.05 Favored 'General case' 0 N--CA 1.465 0.293 0 CA-C-N 116.408 -0.36 . . . . 0.0 110.549 179.755 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . 175.33 -154.12 17.11 Favored Glycine 0 CA--C 1.523 0.573 0 N-CA-C 110.897 -0.881 . . . . 0.0 110.897 179.887 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 72' ' ' THR . . . . . 0.427 ' H ' HG22 ' A' ' 72' ' ' THR . 0.0 OUTLIER -52.49 111.48 0.65 Allowed 'General case' 0 C--N 1.33 -0.265 0 CA-C-O 120.784 0.326 . . . . 0.0 110.228 -179.978 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 73' ' ' VAL . . . . . . . . . . . . . 13.7 p -121.14 134.3 64.97 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.237 0 CA-C-N 116.294 -0.412 . . . . 0.0 110.539 -179.795 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 74' ' ' GLN . . . . . . . . . . . . . 84.3 mm-40 55.76 19.38 3.4 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 115.974 -0.557 . . . . 0.0 110.804 -179.658 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . 85.38 0.48 88.35 Favored Glycine 0 CA--C 1.523 0.568 0 N-CA-C 111.167 -0.773 . . . . 0.0 111.167 179.753 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 76' ' ' ARG . . . . . . . . . . . . . 93.4 mtm-85 -105.64 123.13 47.41 Favored 'General case' 0 N--CA 1.463 0.203 0 CA-C-O 120.767 0.317 . . . . 0.0 110.274 179.707 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 65.1 tttm -105.29 90.3 3.38 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.253 -0.431 . . . . 0.0 110.131 179.731 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 78' ' ' TYR . . . . . . . . . . . . . 31.2 t80 -107.5 -27.4 10.43 Favored 'General case' 0 N--CA 1.465 0.307 0 CA-C-N 116.309 -0.405 . . . . 0.0 110.413 -179.905 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 79' ' ' PHE . . . . . . . . . . . . . 38.7 p90 -148.38 154.29 39.74 Favored 'General case' 0 C--N 1.331 -0.198 0 CA-C-N 116.333 -0.394 . . . . 0.0 110.646 -179.927 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 80' ' ' THR . . . . . . . . . . . . . 71.0 m -153.71 133.44 13.02 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.625 -179.916 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 81' ' ' CYS . . . . . 0.551 ' N ' ' OD2' ' A' ' 70' ' ' ASP . 8.8 t -142.41 178.21 7.74 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.341 -0.39 . . . . 0.0 110.31 -179.966 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 82' ' ' ASP . . . . . 0.511 ' O ' ' ND1' ' A' ' 85' ' ' HIS . 90.2 m-20 -66.99 142.55 57.2 Favored 'General case' 0 C--N 1.324 -0.529 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.594 -179.796 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 95.9 mt-10 -54.39 120.67 6.91 Favored 'General case' 0 CA--C 1.516 -0.357 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.13 179.945 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 84' ' ' GLY . . . . . 0.458 ' O ' ' O ' ' A' ' 66' ' ' LYS . . . 106.21 14.48 20.38 Favored Glycine 0 CA--C 1.526 0.764 0 N-CA-C 110.738 -0.945 . . . . 0.0 110.738 179.979 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 85' ' ' HIS . . . . . 0.537 ' N ' ' ND1' ' A' ' 85' ' ' HIS . 0.9 OUTLIER -136.77 169.13 18.24 Favored 'General case' 0 N--CA 1.464 0.254 0 O-C-N 122.644 -0.327 . . . . 0.0 110.671 179.992 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 86' ' ' GLY . . . . . . . . . . . . . . . 84.35 45.69 6.09 Favored Glycine 0 C--N 1.336 0.542 0 N-CA-C 111.177 -0.769 . . . . 0.0 111.177 179.69 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 87' ' ' ILE . . . . . 0.661 HG22 HD21 ' A' ' 62' ' ' LEU . 18.4 tt -83.36 130.34 35.94 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.345 0 CA-C-O 120.88 0.371 . . . . 0.0 110.43 -179.973 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 88' ' ' PHE . . . . . 0.412 ' CD1' ' O ' ' A' ' 88' ' ' PHE . 50.8 p90 -78.28 136.45 37.75 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.045 -0.525 . . . . 0.0 110.899 -179.588 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 89' ' ' VAL . . . . . . . . . . . . . 27.0 m -142.98 158.24 17.93 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.258 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.377 179.604 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 90' ' ' ARG . . . . . . . . . . . . . 83.8 mtp180 -84.8 158.17 20.76 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.48 179.857 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 91' ' ' GLN . . . . . . . . . . . . . 52.9 tt0 -62.05 -41.17 97.84 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.428 -179.849 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 59.5 m -68.44 -33.24 73.84 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.751 179.948 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 93' ' ' GLN . . . . . . . . . . . . . 64.5 tp60 -68.17 -40.08 82.38 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.617 -179.259 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 94' ' ' ILE . . . . . 0.506 HG23 ' O ' ' A' ' 94' ' ' ILE . 20.2 tt -93.81 127.66 45.7 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.26 0 CA-C-N 116.44 -0.345 . . . . 0.0 110.264 179.863 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 95' ' ' GLN . . . . . . . . . . . . . 51.5 tt0 -97.28 131.54 43.89 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.31 179.951 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 96' ' ' VAL . . . . . . . . . . . . . 6.1 p -67.77 138.86 21.85 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.026 -0.534 . . . . 0.0 110.522 -179.854 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 97' ' ' PHE . . . . . . . . . . . . . 80.5 t80 . . . . . 0 C--O 1.22 -0.471 0 CA-C-O 118.118 -0.944 . . . . 0.0 110.554 -179.955 . . . . . . . . 0 0 . 1 . 002 nuclear build full ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 57.7 tp . . . . . 0 N--CA 1.491 1.579 0 N-CA-C 109.35 -0.611 . . . . 0.0 109.35 . . . . . . . . . 0 0 . 1 . 002 nuclear build full ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 87.4 mtm180 -136.02 153.0 51.5 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.264 -0.425 . . . . 0.0 110.663 -179.986 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 30.7 m -66.96 132.61 32.2 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.5 -179.981 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . 94.74 -9.1 71.11 Favored Glycine 0 CA--C 1.524 0.611 0 N-CA-C 110.996 -0.842 . . . . 0.0 110.996 179.956 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 35.9 m -71.88 138.97 48.59 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-O 120.916 0.388 . . . . 0.0 110.465 -179.936 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 13.7 ptm180 -97.46 125.71 42.29 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.54 -179.878 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 2.5 m -138.55 167.66 20.9 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.529 179.817 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 84.5 tt0 -108.74 114.1 27.62 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.357 179.428 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 11.1 t -61.78 146.28 12.24 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.458 -179.898 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 93.2 mt -81.04 131.5 33.76 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.956 -179.071 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 91.95 -39.8 2.99 Favored Glycine 0 CA--C 1.522 0.477 0 N-CA-C 111.231 -0.748 . . . . 0.0 111.231 179.055 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 38' ' ' LYS . . . . . 0.402 ' O ' ' C ' ' A' ' 39' ' ' GLY . 29.0 ttmt -163.02 -132.8 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.947 0.403 . . . . 0.0 110.536 179.756 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 39' ' ' GLY . . . . . 0.436 ' O ' ' O ' ' A' ' 40' ' ' HIS . . . 38.42 75.76 0.09 OUTLIER Glycine 0 CA--C 1.526 0.723 0 N-CA-C 111.112 -0.795 . . . . 0.0 111.112 179.567 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 40' ' ' HIS . . . . . 0.436 ' O ' ' O ' ' A' ' 39' ' ' GLY . 4.8 m80 -46.92 177.63 0.0 OUTLIER 'General case' 0 C--N 1.327 -0.385 0 CA-C-O 120.828 0.347 . . . . 0.0 110.478 179.819 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 96.2 mtt180 -44.68 139.47 2.9 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.628 -179.483 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -165.71 154.2 24.71 Favored Glycine 0 CA--C 1.523 0.537 0 N-CA-C 110.939 -0.865 . . . . 0.0 110.939 179.977 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 16.6 p -100.67 140.74 34.52 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-O 120.753 0.311 . . . . 0.0 110.551 179.767 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 96.3 t -75.06 130.62 36.01 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.319 179.726 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -123.44 -28.88 3.87 Favored 'General case' 0 C--N 1.331 -0.203 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.622 -179.923 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 46' ' ' TYR . . . . . . . . . . . . . 68.8 t80 -136.99 120.92 17.59 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.288 -0.415 . . . . 0.0 110.646 -179.936 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 47' ' ' VAL . . . . . . . . . . . . . 2.2 p -130.53 123.22 54.67 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.416 179.806 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 160.25 -165.89 35.02 Favored Glycine 0 CA--C 1.522 0.501 0 N-CA-C 110.859 -0.896 . . . . 0.0 110.859 -179.991 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -105.55 137.29 43.63 Favored 'General case' 0 C--N 1.332 -0.193 0 CA-C-O 120.867 0.365 . . . . 0.0 110.46 179.756 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 50' ' ' THR . . . . . 0.466 ' O ' ' O ' ' A' ' 53' ' ' ALA . 31.8 p -111.22 145.19 39.15 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.638 -179.925 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 51' ' ' LEU . . . . . 0.469 ' CD2' HH12 ' A' ' 76' ' ' ARG . 33.0 tp -65.67 -21.17 66.53 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.493 179.988 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 52' ' ' PHE . . . . . . . . . . . . . 90.8 t80 -67.83 -27.9 67.1 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.549 -179.035 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 53' ' ' ALA . . . . . 0.466 ' O ' ' O ' ' A' ' 50' ' ' THR . . . -151.37 145.03 24.99 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.299 -0.409 . . . . 0.0 110.644 -179.939 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 54' ' ' THR . . . . . . . . . . . . . 12.9 p -83.08 170.2 15.07 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.28 -0.418 . . . . 0.0 110.588 -179.992 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . 89.09 -155.0 24.92 Favored Glycine 0 CA--C 1.523 0.565 0 N-CA-C 110.794 -0.923 . . . . 0.0 110.794 -179.695 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 42.9 tptt -112.78 124.76 53.32 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-O 120.97 0.414 . . . . 0.0 110.445 179.895 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 57' ' ' TRP . . . . . . . . . . . . . 97.9 m95 -126.47 141.19 51.97 Favored 'General case' 0 C--O 1.234 0.261 0 CA-C-N 116.251 -0.432 . . . . 0.0 110.611 179.919 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 58' ' ' VAL . . . . . . . . . . . . . 75.1 t -128.62 130.37 68.89 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.242 0 CA-C-N 116.305 -0.407 . . . . 0.0 110.558 179.979 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . -90.85 109.94 3.75 Favored Glycine 0 CA--C 1.525 0.717 0 N-CA-C 110.479 -1.049 . . . . 0.0 110.479 179.28 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 60' ' ' VAL . . . . . . . . . . . . . 11.0 t -105.98 134.52 47.29 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.248 0 CA-C-O 120.922 0.391 . . . . 0.0 110.952 -179.218 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 61' ' ' ILE . . . . . 0.413 ' N ' HD13 ' A' ' 61' ' ' ILE . 5.4 mm -91.6 94.26 4.75 Favored 'Isoleucine or valine' 0 N--CA 1.463 0.197 0 CA-C-N 116.173 -0.467 . . . . 0.0 109.992 179.457 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 62' ' ' LEU . . . . . 0.69 HD12 ' CB ' ' A' ' 66' ' ' LYS . 5.0 mt -68.38 135.48 51.85 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.083 -0.508 . . . . 0.0 110.71 -178.947 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 63.6 t0 -62.57 -40.94 98.47 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.424 179.866 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 64' ' ' GLU . . . . . 0.628 ' CD ' ' H ' ' A' ' 64' ' ' GLU . 0.9 OUTLIER -82.73 143.69 30.72 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.365 179.594 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -57.85 94.75 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.082 -0.508 . . . . 0.0 110.78 -179.628 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 66' ' ' LYS . . . . . 0.69 ' CB ' HD12 ' A' ' 62' ' ' LEU . 4.9 tptp -101.62 115.18 29.94 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 116.27 -0.423 . . . . 0.0 109.937 179.72 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . -44.29 105.51 0.08 OUTLIER Glycine 0 CA--C 1.519 0.296 0 C-N-CA 120.747 -0.74 . . . . 0.0 111.664 -178.483 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 6.1 tmtt? -171.54 129.52 0.68 Allowed 'General case' 0 C--N 1.331 -0.232 0 C-N-CA 121.064 -0.255 . . . . 0.0 110.508 179.639 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 69' ' ' ASN . . . . . . . . . . . . . 99.0 m-20 -85.11 120.54 26.72 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-O 120.988 0.423 . . . . 0.0 110.578 179.761 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 70' ' ' ASP . . . . . 0.499 ' OD1' ' N ' ' A' ' 81' ' ' CYS . 8.4 t70 -120.64 103.04 8.82 Favored 'General case' 0 C--N 1.332 -0.174 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.496 179.889 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . 179.71 -149.23 8.49 Favored Glycine 0 CA--C 1.526 0.721 0 N-CA-C 110.876 -0.89 . . . . 0.0 110.876 -179.757 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 72' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -63.53 125.88 25.68 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.806 0.336 . . . . 0.0 110.544 -179.636 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 73' ' ' VAL . . . . . . . . . . . . . 51.9 t -120.9 132.06 71.36 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.244 0 CA-C-N 116.297 -0.411 . . . . 0.0 110.407 -179.963 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 74' ' ' GLN . . . . . . . . . . . . . 97.3 mm-40 55.25 22.85 5.02 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.541 -179.905 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . 86.78 -0.41 86.48 Favored Glycine 0 CA--C 1.522 0.481 0 N-CA-C 110.956 -0.858 . . . . 0.0 110.956 179.9 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 76' ' ' ARG . . . . . 0.469 HH12 ' CD2' ' A' ' 51' ' ' LEU . 99.8 mtt180 -102.05 124.35 47.51 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-O 120.886 0.374 . . . . 0.0 110.503 -179.788 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 77.9 tttt -105.88 116.18 31.5 Favored 'General case' 0 C--N 1.331 -0.204 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.731 -179.813 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 78' ' ' TYR . . . . . . . . . . . . . 53.0 m-85 -122.3 -34.16 3.34 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.297 -0.411 . . . . 0.0 110.563 179.768 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 79' ' ' PHE . . . . . . . . . . . . . 8.2 p90 -154.1 152.73 30.78 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.586 179.956 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 80' ' ' THR . . . . . . . . . . . . . 91.9 m -136.73 132.84 35.39 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.771 -179.785 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 81' ' ' CYS . . . . . 0.499 ' N ' ' OD1' ' A' ' 70' ' ' ASP . 8.5 m -146.22 153.31 40.47 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.4 179.679 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 82' ' ' ASP . . . . . . . . . . . . . 96.9 m-20 -55.14 141.34 35.2 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.276 -0.42 . . . . 0.0 110.558 -179.535 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 97.5 mt-10 -52.32 139.32 24.62 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.524 179.875 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 84' ' ' GLY . . . . . 0.548 ' O ' ' N ' ' A' ' 66' ' ' LYS . . . 104.38 -14.05 51.13 Favored Glycine 0 CA--C 1.524 0.642 0 N-CA-C 110.866 -0.894 . . . . 0.0 110.866 -179.483 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 85' ' ' HIS . . . . . 0.754 ' ND1' ' N ' ' A' ' 85' ' ' HIS . 0.0 OUTLIER -124.68 166.66 15.74 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-O 120.841 0.353 . . . . 0.0 110.361 179.989 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 86' ' ' GLY . . . . . . . . . . . . . . . 84.53 69.21 1.37 Allowed Glycine 0 CA--C 1.52 0.384 0 N-CA-C 111.146 -0.782 . . . . 0.0 111.146 179.562 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 87' ' ' ILE . . . . . 0.501 HG21 HD11 ' A' ' 62' ' ' LEU . 12.5 tt -109.8 134.34 52.23 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-O 120.821 0.344 . . . . 0.0 110.562 179.939 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 88' ' ' PHE . . . . . . . . . . . . . 42.3 m-85 -80.55 134.45 35.93 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.52 -179.68 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 89' ' ' VAL . . . . . . . . . . . . . 35.6 m -135.88 158.88 39.46 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.202 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.445 179.997 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 90' ' ' ARG . . . . . . . . . . . . . 89.9 mtm180 -86.22 171.01 11.6 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.601 -179.958 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 91' ' ' GLN . . . . . . . . . . . . . 58.1 tt0 -64.14 -40.57 96.45 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.742 -179.758 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 78.1 p -68.77 -32.27 71.9 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.957 -179.595 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 93' ' ' GLN . . . . . . . . . . . . . 97.3 mt-30 -69.61 -43.13 73.37 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.062 -0.517 . . . . 0.0 110.955 -179.313 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 94' ' ' ILE . . . . . . . . . . . . . 20.5 tt -89.98 136.45 23.75 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.266 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.656 -179.819 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 95' ' ' GLN . . . . . . . . . . . . . 2.8 pt20 -135.84 155.48 50.26 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.518 179.725 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 96' ' ' VAL . . . . . 0.45 HG23 ' O ' ' A' ' 96' ' ' VAL . 26.5 m -85.03 128.44 38.99 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.411 179.871 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 97' ' ' PHE . . . . . . . . . . . . . 48.5 p90 . . . . . 0 C--O 1.22 -0.456 0 CA-C-O 117.909 -1.043 . . . . 0.0 110.633 -179.803 . . . . . . . . 0 0 . 1 . 003 nuclear build full ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 55.7 tp . . . . . 0 N--CA 1.488 1.432 0 N-CA-C 109.159 -0.682 . . . . 0.0 109.159 . . . . . . . . . 0 0 . 1 . 003 nuclear build full ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 99.6 mtt180 -134.17 153.79 51.62 Favored 'General case' 0 N--CA 1.464 0.261 0 CA-C-O 121.143 0.497 . . . . 0.0 110.861 179.85 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 21.3 m -67.05 135.57 28.32 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.017 -0.538 . . . . 0.0 110.263 179.96 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . 91.55 -10.08 75.58 Favored Glycine 0 CA--C 1.526 0.719 0 N-CA-C 110.707 -0.957 . . . . 0.0 110.707 -179.767 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 13.4 p -74.8 154.77 38.16 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-O 120.769 0.319 . . . . 0.0 110.253 179.803 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 98.2 mtt180 -107.75 126.54 52.74 Favored 'General case' 0 N--CA 1.466 0.333 0 CA-C-N 116.378 -0.373 . . . . 0.0 110.308 -179.904 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 33' ' ' VAL . . . . . 0.424 HG23 ' N ' ' A' ' 34' ' ' GLU . 1.5 m -146.23 -172.78 0.39 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.051 -179.958 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 34' ' ' GLU . . . . . 0.424 ' N ' HG23 ' A' ' 33' ' ' VAL . 11.8 pt-20 -133.16 136.75 45.92 Favored 'General case' 0 N--CA 1.464 0.257 0 CA-C-N 116.039 -0.528 . . . . 0.0 110.258 179.24 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 35' ' ' VAL . . . . . 0.454 ' O ' ' O ' ' A' ' 38' ' ' LYS . 5.3 t -72.79 127.39 34.74 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.427 0 CA-C-O 121.41 0.624 . . . . 0.0 110.073 -179.763 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 95.8 mt -64.0 126.77 23.33 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.689 0 CA-C-N 115.963 -0.562 . . . . 0.0 111.013 -179.397 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 97.32 -36.91 3.66 Favored Glycine 0 CA--C 1.524 0.595 0 N-CA-C 111.252 -0.739 . . . . 0.0 111.252 179.439 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 38' ' ' LYS . . . . . 0.454 ' O ' ' O ' ' A' ' 35' ' ' VAL . 71.8 tttt -163.07 -135.33 0.03 OUTLIER 'General case' 0 C--N 1.331 -0.205 0 C-N-CA 120.664 -0.414 . . . . 0.0 110.267 179.919 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 39' ' ' GLY . . . . . 0.483 ' O ' ' O ' ' A' ' 40' ' ' HIS . . . 37.61 80.73 0.02 OUTLIER Glycine 0 CA--C 1.522 0.509 0 N-CA-C 111.082 -0.807 . . . . 0.0 111.082 179.577 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 40' ' ' HIS . . . . . 0.483 ' O ' ' O ' ' A' ' 39' ' ' GLY . 73.2 m80 -44.45 174.72 0.0 OUTLIER 'General case' 0 C--N 1.328 -0.352 0 CA-C-O 121.061 0.458 . . . . 0.0 110.643 -179.262 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 99.9 mtt180 -45.72 149.82 0.58 Allowed 'General case' 0 C--N 1.325 -0.471 0 CA-C-N 116.268 -0.424 . . . . 0.0 110.859 -179.246 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -168.25 176.19 42.77 Favored Glycine 0 CA--C 1.522 0.521 0 N-CA-C 110.857 -0.897 . . . . 0.0 110.857 -179.746 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 27.7 m -123.65 132.84 53.95 Favored 'General case' 0 N--CA 1.465 0.282 0 CA-C-O 120.853 0.358 . . . . 0.0 110.717 -179.427 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 95.5 t -72.34 132.47 33.34 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.073 -0.512 . . . . 0.0 110.071 179.996 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -127.78 -50.43 1.36 Allowed 'General case' 0 N--CA 1.465 0.285 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.753 -179.998 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 46' ' ' TYR . . . . . . . . . . . . . 70.3 t80 -111.86 127.66 55.9 Favored 'General case' 0 N--CA 1.465 0.316 0 CA-C-N 116.402 -0.363 . . . . 0.0 110.655 -179.819 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 47' ' ' VAL . . . . . 0.412 HG13 ' O ' ' A' ' 47' ' ' VAL . 4.7 p -132.79 123.53 49.02 Favored 'Isoleucine or valine' 0 N--CA 1.463 0.22 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.338 179.855 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 160.79 -166.99 35.72 Favored Glycine 0 CA--C 1.52 0.383 0 N-CA-C 110.633 -0.987 . . . . 0.0 110.633 179.644 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -112.15 119.19 37.55 Favored 'General case' 0 N--CA 1.463 0.218 0 CA-C-O 120.845 0.355 . . . . 0.0 110.485 179.692 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 12.1 p -92.14 152.07 20.08 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.353 179.731 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 51' ' ' LEU . . . . . 0.463 ' H ' HH22 ' A' ' 76' ' ' ARG . 74.7 mt -70.85 -13.53 62.07 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.388 -179.74 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 52' ' ' PHE . . . . . . . . . . . . . 69.9 t80 -70.56 -26.31 63.48 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.64 -179.879 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -151.43 148.32 27.95 Favored 'General case' 0 C--O 1.232 0.151 0 CA-C-N 116.391 -0.368 . . . . 0.0 110.362 -179.943 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 54' ' ' THR . . . . . . . . . . . . . 58.6 p -83.27 166.13 18.79 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.502 179.996 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . 87.25 -151.18 23.31 Favored Glycine 0 CA--C 1.523 0.532 0 N-CA-C 110.631 -0.988 . . . . 0.0 110.631 179.927 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 64.5 tttp -111.21 136.28 50.52 Favored 'General case' 0 C--N 1.331 -0.206 0 CA-C-O 120.825 0.345 . . . . 0.0 110.409 179.977 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 57' ' ' TRP . . . . . . . . . . . . . 91.3 m95 -135.96 135.62 39.71 Favored 'General case' 0 C--N 1.332 -0.164 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.079 179.972 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 58' ' ' VAL . . . . . . . . . . . . . 43.6 t -121.98 126.4 74.42 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.253 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.203 179.959 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . -86.24 107.79 3.21 Favored Glycine 0 CA--C 1.52 0.35 0 N-CA-C 110.166 -1.174 . . . . 0.0 110.166 179.773 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 60' ' ' VAL . . . . . . . . . . . . . 24.1 t -110.28 133.18 56.5 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.338 0 CA-C-O 121.105 0.479 . . . . 0.0 110.824 -179.397 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 61' ' ' ILE . . . . . 0.667 ' N ' HD12 ' A' ' 61' ' ' ILE . 1.6 mp -90.06 105.69 16.44 Favored 'Isoleucine or valine' 0 CA--C 1.516 -0.342 0 CA-C-N 115.972 -0.558 . . . . 0.0 109.563 179.333 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 62' ' ' LEU . . . . . 0.625 HD12 ' CB ' ' A' ' 66' ' ' LYS . 6.8 mt -76.68 146.86 37.82 Favored 'General case' 0 C--N 1.323 -0.562 0 CA-C-N 115.933 -0.576 . . . . 0.0 110.928 -179.215 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 45.0 t0 -71.58 -43.69 65.83 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.878 179.574 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 78.1 tt0 -79.09 151.93 31.12 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 116.28 -0.418 . . . . 0.0 110.367 -179.854 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -63.52 94.09 0.08 Allowed 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.721 -179.903 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 66' ' ' LYS . . . . . 0.625 ' CB ' HD12 ' A' ' 62' ' ' LEU . 5.5 tptp -103.74 112.97 26.15 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-O 121.53 0.681 . . . . 0.0 109.985 179.653 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . -45.61 104.7 0.07 OUTLIER Glycine 0 N--CA 1.445 -0.76 0 C-N-CA 120.421 -0.895 . . . . 0.0 112.405 -179.432 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 49.2 tptt -164.09 133.51 3.91 Favored 'General case' 0 C--N 1.323 -0.568 0 CA-C-N 115.341 -0.43 . . . . 0.0 110.804 178.815 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 69' ' ' ASN . . . . . . . . . . . . . 98.3 m-20 -82.65 120.63 25.8 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.514 179.035 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 70' ' ' ASP . . . . . 0.453 ' OD2' ' O ' ' A' ' 82' ' ' ASP . 27.8 p30 -121.73 108.11 13.14 Favored 'General case' 0 N--CA 1.467 0.385 0 CA-C-N 116.09 -0.504 . . . . 0.0 110.807 179.863 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . 175.55 -151.06 11.42 Favored Glycine 0 CA--C 1.521 0.468 0 N-CA-C 110.864 -0.894 . . . . 0.0 110.864 -179.979 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 72' ' ' THR . . . . . 0.456 ' O ' HG23 ' A' ' 72' ' ' THR . 4.3 t -67.74 121.48 16.03 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-O 120.758 0.313 . . . . 0.0 110.213 179.836 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 73' ' ' VAL . . . . . . . . . . . . . 85.9 t -120.12 131.8 71.49 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.325 0 CA-C-O 120.982 0.42 . . . . 0.0 110.396 179.883 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 74' ' ' GLN . . . . . . . . . . . . . 2.1 tp-100 57.44 21.33 6.83 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-N 115.935 -0.575 . . . . 0.0 110.409 -179.814 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . 82.03 7.8 87.39 Favored Glycine 0 CA--C 1.524 0.618 0 N-CA-C 110.951 -0.859 . . . . 0.0 110.951 -179.973 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 76' ' ' ARG . . . . . 0.463 HH22 ' H ' ' A' ' 51' ' ' LEU . 86.5 mtm180 -105.48 120.52 41.81 Favored 'General case' 0 N--CA 1.464 0.231 0 CA-C-O 120.787 0.327 . . . . 0.0 110.152 179.785 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 88.8 tttt -105.8 121.05 43.25 Favored 'General case' 0 C--N 1.331 -0.201 0 CA-C-N 116.253 -0.431 . . . . 0.0 110.233 179.789 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 78' ' ' TYR . . . . . . . . . . . . . 38.1 m-85 -122.52 -41.71 2.37 Favored 'General case' 0 N--CA 1.468 0.437 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.479 179.879 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 79' ' ' PHE . . . . . . . . . . . . . 54.3 p90 -154.46 158.17 39.53 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.378 -179.792 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 80' ' ' THR . . . . . . . . . . . . . 97.9 m -126.38 129.48 48.85 Favored 'General case' 0 N--CA 1.465 0.309 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.531 179.863 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 81' ' ' CYS . . . . . . . . . . . . . 9.0 t -140.16 159.78 41.42 Favored 'General case' 0 N--CA 1.463 0.221 0 CA-C-N 116.039 -0.528 . . . . 0.0 110.335 179.968 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 82' ' ' ASP . . . . . 0.453 ' O ' ' OD2' ' A' ' 70' ' ' ASP . 98.3 m-20 -68.32 137.28 54.52 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.624 -179.8 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 94.8 mt-10 -51.54 138.79 21.66 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.083 179.893 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 84' ' ' GLY . . . . . 0.53 ' O ' ' N ' ' A' ' 66' ' ' LYS . . . 113.48 -7.33 24.51 Favored Glycine 0 CA--C 1.524 0.648 0 N-CA-C 110.569 -1.012 . . . . 0.0 110.569 -179.799 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 85' ' ' HIS . . . . . 0.535 ' ND1' ' O ' ' A' ' 62' ' ' LEU . 10.6 m-70 -139.36 166.45 24.52 Favored 'General case' 0 C--N 1.33 -0.253 0 O-C-N 122.539 -0.389 . . . . 0.0 110.317 -179.811 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 86' ' ' GLY . . . . . . . . . . . . . . . 101.66 42.41 2.32 Favored Glycine 0 N--CA 1.464 0.502 0 N-CA-C 110.902 -0.879 . . . . 0.0 110.902 179.865 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 87' ' ' ILE . . . . . . . . . . . . . 3.3 tp -76.66 136.22 25.08 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.403 0 CA-C-O 120.721 0.295 . . . . 0.0 110.525 -179.861 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 88' ' ' PHE . . . . . . . . . . . . . 68.9 m-85 -88.91 119.86 29.81 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.992 0.425 . . . . 0.0 110.093 179.722 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 89' ' ' VAL . . . . . . . . . . . . . 16.5 m -132.64 164.55 34.8 Favored 'Isoleucine or valine' 0 N--CA 1.463 0.198 0 CA-C-N 115.877 -0.601 . . . . 0.0 110.381 -179.89 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 90' ' ' ARG . . . . . 0.402 ' H ' ' HG2' ' A' ' 90' ' ' ARG . 35.2 ptt180 -97.35 155.66 16.79 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 115.944 -0.571 . . . . 0.0 110.676 -179.846 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 91' ' ' GLN . . . . . . . . . . . . . 54.5 tt0 -58.6 -39.92 81.77 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.037 -0.529 . . . . 0.0 110.685 -179.313 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 95.9 p -55.11 -35.29 64.48 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 116.36 -0.382 . . . . 0.0 110.587 -179.86 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 93' ' ' GLN . . . . . . . . . . . . . 56.5 tt0 -78.48 -17.31 56.47 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.368 -0.378 . . . . 0.0 110.541 -179.945 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 94' ' ' ILE . . . . . . . . . . . . . 49.2 mm -100.34 130.74 49.1 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.331 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.515 179.878 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 95' ' ' GLN . . . . . . . . . . . . . 60.0 tt0 -138.1 119.57 14.89 Favored 'General case' 0 C--N 1.332 -0.191 0 CA-C-N 115.826 -0.624 . . . . 0.0 110.524 -179.883 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 96' ' ' VAL . . . . . . . . . . . . . 13.7 p -71.09 137.09 24.5 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.339 0 CA-C-N 116.051 -0.522 . . . . 0.0 110.278 179.897 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 97' ' ' PHE . . . . . . . . . . . . . 87.7 t80 . . . . . 0 C--O 1.219 -0.522 0 CA-C-O 117.971 -1.014 . . . . 0.0 110.429 -179.969 . . . . . . . . 0 0 . 1 . 004 nuclear build full ' A' A ' 27' ' ' LEU . . . . . 0.424 HD13 ' C ' ' A' ' 27' ' ' LEU . 0.2 OUTLIER . . . . . 0 N--CA 1.488 1.437 0 N-CA-C 109.594 -0.521 . . . . 0.0 109.594 . . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 60.5 ttp180 -61.92 141.8 57.79 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-N 115.914 -0.584 . . . . 0.0 110.278 -179.453 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 29' ' ' VAL . . . . . 0.435 ' O ' HG23 ' A' ' 29' ' ' VAL . 18.1 m -61.21 132.56 26.83 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.377 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.313 -179.635 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . 102.33 -26.59 23.68 Favored Glycine 0 CA--C 1.524 0.648 0 N-CA-C 110.884 -0.886 . . . . 0.0 110.884 -179.948 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 42.4 t -71.19 140.79 50.62 Favored 'General case' 0 C--O 1.237 0.419 0 CA-C-O 120.806 0.336 . . . . 0.0 110.539 179.885 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 47.1 ptt85 -114.08 125.55 54.1 Favored 'General case' 0 N--CA 1.465 0.31 0 CA-C-O 121.268 0.556 . . . . 0.0 110.584 -180.0 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 2.9 m -147.43 -170.01 0.23 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 115.869 -0.605 . . . . 0.0 110.103 -179.672 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 18.1 pt-20 -130.44 131.31 45.14 Favored 'General case' 0 N--CA 1.463 0.212 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.346 179.521 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 4.3 t -67.84 136.03 27.34 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 N-CA-C 109.809 -0.441 . . . . 0.0 109.809 179.831 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 95.2 mt -72.92 127.37 34.86 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.533 0 CA-C-N 116.058 -0.519 . . . . 0.0 111.051 -179.363 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 93.96 -39.33 2.94 Favored Glycine 0 CA--C 1.52 0.39 0 N-CA-C 111.28 -0.728 . . . . 0.0 111.28 179.32 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 96.5 mttt -154.31 -141.14 0.1 Allowed 'General case' 0 C--N 1.329 -0.29 0 N-CA-C 109.938 -0.393 . . . . 0.0 109.938 -179.579 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 39' ' ' GLY . . . . . 0.476 ' O ' ' O ' ' A' ' 40' ' ' HIS . . . 38.04 78.5 0.05 OUTLIER Glycine 0 CA--C 1.524 0.64 0 N-CA-C 111.538 -0.625 . . . . 0.0 111.538 -179.966 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 40' ' ' HIS . . . . . 0.569 ' CG ' ' NZ ' ' A' ' 66' ' ' LYS . 60.2 m170 -45.39 177.11 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 121.073 0.463 . . . . 0.0 110.655 179.873 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 41' ' ' ARG . . . . . 0.599 ' O ' HD13 ' A' ' 62' ' ' LEU . 99.8 mtt180 -48.71 142.02 6.62 Favored 'General case' 0 C--N 1.324 -0.529 0 CA-C-O 121.006 0.431 . . . . 0.0 110.838 -179.806 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -171.19 167.9 41.04 Favored Glycine 0 CA--C 1.526 0.723 0 N-CA-C 110.86 -0.896 . . . . 0.0 110.86 -179.922 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 95.7 m -117.89 134.18 55.19 Favored 'General case' 0 N--CA 1.467 0.407 0 CA-C-O 120.927 0.394 . . . . 0.0 110.553 -179.754 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 85.9 t -71.99 131.66 34.37 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.238 0 CA-C-N 115.904 -0.589 . . . . 0.0 110.203 -179.678 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -125.4 -47.65 1.72 Allowed 'General case' 0 N--CA 1.466 0.329 0 CA-C-N 116.351 -0.386 . . . . 0.0 110.59 -179.929 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 46' ' ' TYR . . . . . . . . . . . . . 74.2 t80 -115.56 120.77 40.57 Favored 'General case' 0 N--CA 1.465 0.317 0 CA-C-N 116.439 -0.346 . . . . 0.0 110.503 179.747 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 47' ' ' VAL . . . . . 0.558 ' O ' HG13 ' A' ' 47' ' ' VAL . 8.3 p -129.4 117.72 43.66 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.279 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.331 179.809 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 161.09 -176.44 37.67 Favored Glycine 0 CA--C 1.521 0.414 0 N-CA-C 110.63 -0.988 . . . . 0.0 110.63 179.863 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -97.39 146.79 24.84 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 120.688 0.28 . . . . 0.0 110.343 179.635 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 50' ' ' THR . . . . . 0.432 ' O ' ' O ' ' A' ' 53' ' ' ALA . 60.2 p -132.22 153.47 50.58 Favored 'General case' 0 N--CA 1.464 0.263 0 CA-C-O 120.947 0.403 . . . . 0.0 110.461 -179.888 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 59.5 mt -69.45 -18.64 63.74 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 115.953 -0.567 . . . . 0.0 110.426 -179.872 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 52' ' ' PHE . . . . . . . . . . . . . 84.7 t80 -69.35 -24.0 63.84 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.697 -179.623 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 53' ' ' ALA . . . . . 0.432 ' O ' ' O ' ' A' ' 50' ' ' THR . . . -147.9 142.61 26.68 Favored 'General case' 0 C--N 1.332 -0.175 0 CA-C-N 116.366 -0.379 . . . . 0.0 110.475 179.947 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 54' ' ' THR . . . . . . . . . . . . . 11.7 m -80.54 149.3 30.02 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.548 179.934 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . 86.38 -170.72 43.03 Favored Glycine 0 CA--C 1.521 0.442 0 N-CA-C 110.665 -0.974 . . . . 0.0 110.665 179.974 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 88.7 tttt -87.16 136.65 32.85 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 120.729 0.3 . . . . 0.0 110.486 179.786 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 57' ' ' TRP . . . . . . . . . . . . . 99.3 m95 -136.03 142.89 44.48 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.285 -0.416 . . . . 0.0 110.336 179.983 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 58' ' ' VAL . . . . . . . . . . . . . 19.4 t -125.39 127.8 72.13 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.37 0 CA-C-N 116.434 -0.348 . . . . 0.0 110.428 -179.708 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . -90.87 110.59 3.83 Favored Glycine 0 CA--C 1.518 0.259 0 N-CA-C 109.883 -1.287 . . . . 0.0 109.883 179.54 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 60' ' ' VAL . . . . . . . . . . . . . 40.8 t -109.76 135.18 49.52 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.314 0 CA-C-O 121.129 0.49 . . . . 0.0 110.651 -179.098 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 61' ' ' ILE . . . . . 0.622 HD12 ' N ' ' A' ' 61' ' ' ILE . 1.5 mp -90.55 107.24 18.25 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.249 0 CA-C-N 115.967 -0.561 . . . . 0.0 109.733 179.445 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 62' ' ' LEU . . . . . 0.599 HD13 ' O ' ' A' ' 41' ' ' ARG . 3.2 mm? -74.61 138.68 43.12 Favored 'General case' 0 C--N 1.32 -0.679 0 CA-C-N 115.858 -0.61 . . . . 0.0 111.03 -179.739 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 22.6 t0 -69.49 -37.98 77.47 Favored 'General case' 0 C--N 1.324 -0.511 0 CA-C-N 115.831 -0.622 . . . . 0.0 110.27 179.493 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 64' ' ' GLU . . . . . 0.491 ' OE1' ' N ' ' A' ' 64' ' ' GLU . 55.5 mp0 -88.86 170.65 10.54 Favored 'General case' 0 CA--C 1.521 -0.165 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.409 -179.96 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -70.23 96.24 1.08 Allowed 'General case' 0 C--N 1.326 -0.426 0 CA-C-N 116.413 -0.358 . . . . 0.0 110.899 -179.745 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 66' ' ' LYS . . . . . 0.569 ' NZ ' ' CG ' ' A' ' 40' ' ' HIS . 20.6 tptt -105.62 108.86 20.59 Favored 'General case' 0 C--N 1.332 -0.161 0 CA-C-O 121.186 0.517 . . . . 0.0 110.454 -179.937 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . -47.38 103.14 0.06 OUTLIER Glycine 0 C--N 1.316 -0.55 0 C-N-CA 120.677 -0.773 . . . . 0.0 112.323 -179.774 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 6.8 mmtt -171.38 132.99 0.8 Allowed 'General case' 0 C--N 1.328 -0.337 0 CA-C-O 120.855 0.359 . . . . 0.0 110.659 178.806 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 69' ' ' ASN . . . . . . . . . . . . . 64.2 t-20 -100.26 119.91 39.11 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.315 179.093 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 70' ' ' ASP . . . . . 0.472 ' OD2' ' CD1' ' A' ' 79' ' ' PHE . 2.8 t70 -121.14 102.6 8.42 Favored 'General case' 0 N--CA 1.466 0.363 0 CA-C-O 120.981 0.42 . . . . 0.0 110.284 179.66 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . -174.36 -149.01 6.85 Favored Glycine 0 CA--C 1.524 0.625 0 N-CA-C 110.959 -0.856 . . . . 0.0 110.959 179.939 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 72' ' ' THR . . . . . 0.427 HG22 ' H ' ' A' ' 72' ' ' THR . 0.0 OUTLIER -69.41 116.96 10.43 Favored 'General case' 0 C--N 1.329 -0.325 0 C-N-CA 120.979 -0.288 . . . . 0.0 110.381 179.955 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 73' ' ' VAL . . . . . . . . . . . . . 60.2 t -126.57 133.2 69.17 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.27 0 CA-C-O 121.126 0.489 . . . . 0.0 110.386 -179.898 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 74' ' ' GLN . . . . . 0.444 ' OE1' ' NH2' ' A' ' 76' ' ' ARG . 7.9 tt0 62.84 19.57 11.59 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-N 115.929 -0.578 . . . . 0.0 110.629 -179.997 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . 86.97 0.9 85.27 Favored Glycine 0 CA--C 1.525 0.682 0 N-CA-C 111.091 -0.803 . . . . 0.0 111.091 179.848 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 76' ' ' ARG . . . . . 0.444 ' NH2' ' OE1' ' A' ' 74' ' ' GLN . 94.3 mtm-85 -127.2 131.01 50.75 Favored 'General case' 0 N--CA 1.464 0.228 0 CA-C-O 120.921 0.391 . . . . 0.0 110.325 179.699 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 20.6 ptmt -106.18 131.6 53.24 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.028 -0.533 . . . . 0.0 110.605 179.907 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 78' ' ' TYR . . . . . . . . . . . . . 71.1 m-85 -113.94 -22.07 10.29 Favored 'General case' 0 N--CA 1.465 0.3 0 CA-C-N 116.31 -0.405 . . . . 0.0 110.157 179.773 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 79' ' ' PHE . . . . . 0.539 ' CZ ' ' CE1' ' A' ' 88' ' ' PHE . 0.1 OUTLIER -154.4 158.78 40.53 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.384 -179.835 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 80' ' ' THR . . . . . 0.618 HG23 ' O ' ' A' ' 80' ' ' THR . 12.1 t -128.29 119.29 24.82 Favored 'General case' 0 C--N 1.331 -0.213 0 CA-C-N 115.989 -0.551 . . . . 0.0 110.917 179.907 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 81' ' ' CYS . . . . . 0.428 ' SG ' ' O ' ' A' ' 80' ' ' THR . 6.2 m -159.85 141.85 13.14 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.031 179.104 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 82' ' ' ASP . . . . . . . . . . . . . 96.1 m-20 -59.37 143.15 50.4 Favored 'General case' 0 C--N 1.326 -0.445 0 CA-C-O 121.233 0.539 . . . . 0.0 110.662 -179.682 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 96.1 mt-10 -48.59 149.38 1.7 Allowed 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.014 -0.539 . . . . 0.0 110.089 179.767 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 84' ' ' GLY . . . . . 0.449 ' O ' ' N ' ' A' ' 66' ' ' LYS . . . 97.71 -11.49 64.6 Favored Glycine 0 CA--C 1.522 0.531 0 N-CA-C 110.442 -1.063 . . . . 0.0 110.442 -179.64 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 85' ' ' HIS . . . . . . . . . . . . . 22.8 m-70 -140.63 164.33 30.46 Favored 'General case' 0 N--CA 1.465 0.301 0 CA-C-O 120.592 0.234 . . . . 0.0 110.481 179.953 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 86' ' ' GLY . . . . . . . . . . . . . . . 91.03 64.41 1.19 Allowed Glycine 0 CA--C 1.52 0.373 0 N-CA-C 110.774 -0.93 . . . . 0.0 110.774 -179.905 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 87' ' ' ILE . . . . . . . . . . . . . 11.4 tt -102.79 138.49 26.87 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.241 0 CA-C-O 120.886 0.374 . . . . 0.0 110.525 -179.899 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 88' ' ' PHE . . . . . 0.539 ' CE1' ' CZ ' ' A' ' 79' ' ' PHE . 7.0 m-85 -84.16 124.26 30.96 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 115.995 -0.548 . . . . 0.0 110.377 -179.523 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 89' ' ' VAL . . . . . . . . . . . . . 17.6 m -132.84 158.27 43.23 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.227 0 CA-C-N 116.075 -0.511 . . . . 0.0 110.483 179.829 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 90' ' ' ARG . . . . . . . . . . . . . 94.9 mtt180 -86.13 162.45 18.38 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 115.96 -0.564 . . . . 0.0 110.312 -179.67 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 91' ' ' GLN . . . . . 0.42 ' O ' ' O ' ' A' ' 94' ' ' ILE . 56.3 tt0 -60.69 -38.67 85.77 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.45 -179.746 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 82.0 p -62.66 -35.2 78.89 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.709 -179.855 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 93' ' ' GLN . . . . . . . . . . . . . 87.7 mt-30 -69.37 -48.29 61.69 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.281 -0.418 . . . . 0.0 111.129 -179.47 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 94' ' ' ILE . . . . . 0.42 ' O ' ' O ' ' A' ' 91' ' ' GLN . 16.6 tt -91.99 134.82 29.02 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.387 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.696 -179.826 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 95' ' ' GLN . . . . . . . . . . . . . 47.2 tt0 -145.49 158.02 43.91 Favored 'General case' 0 C--N 1.331 -0.203 0 CA-C-N 116.286 -0.416 . . . . 0.0 110.196 179.946 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 96' ' ' VAL . . . . . 0.415 HG23 ' O ' ' A' ' 96' ' ' VAL . 24.0 m -106.2 132.53 53.1 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.235 0 CA-C-N 116.276 -0.42 . . . . 0.0 110.418 -179.931 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 97' ' ' PHE . . . . . . . . . . . . . 33.9 p90 . . . . . 0 C--O 1.219 -0.52 0 CA-C-O 117.968 -1.015 . . . . 0.0 110.39 179.932 . . . . . . . . 0 0 . 1 . 005 nuclear build full ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 2.4 pp . . . . . 0 N--CA 1.49 1.532 0 N-CA-C 109.204 -0.665 . . . . 0.0 109.204 . . . . . . . . . 0 0 . 1 . 005 nuclear build full ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 78.2 mtp85 -136.0 145.34 46.0 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.553 179.705 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 4.9 p -65.93 132.64 31.48 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.258 0 CA-C-O 121.087 0.47 . . . . 0.0 110.434 179.845 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . 99.85 -16.03 58.94 Favored Glycine 0 CA--C 1.524 0.652 0 N-CA-C 110.855 -0.898 . . . . 0.0 110.855 179.858 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 27.8 t -73.68 145.25 45.39 Favored 'General case' 0 C--O 1.236 0.385 0 CA-C-O 121.002 0.43 . . . . 0.0 110.481 179.874 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 35.2 ptt-85 -103.23 123.96 47.73 Favored 'General case' 0 C--N 1.332 -0.16 0 CA-C-O 121.252 0.549 . . . . 0.0 110.554 179.846 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 3.0 m -146.1 163.06 10.37 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.604 179.673 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 34' ' ' GLU . . . . . 0.402 ' O ' ' CG ' ' A' ' 34' ' ' GLU . 18.6 pt-20 -106.58 126.12 51.87 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.324 -0.398 . . . . 0.0 110.501 178.979 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 35' ' ' VAL . . . . . 0.429 ' O ' ' O ' ' A' ' 38' ' ' LYS . 5.1 t -64.23 129.49 28.16 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.348 0 CA-C-O 121.045 0.45 . . . . 0.0 110.377 -179.853 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 15.2 mm -66.1 124.9 22.17 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.407 0 CA-C-N 116.108 -0.496 . . . . 0.0 111.163 -179.3 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 98.92 -36.63 3.91 Favored Glycine 0 CA--C 1.523 0.56 0 N-CA-C 111.414 -0.674 . . . . 0.0 111.414 179.76 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 38' ' ' LYS . . . . . 0.445 ' HG2' ' H ' ' A' ' 39' ' ' GLY . 46.3 tttm -163.34 -135.1 0.03 OUTLIER 'General case' 0 C--N 1.328 -0.346 0 CA-C-O 121.068 0.461 . . . . 0.0 110.786 -179.814 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 39' ' ' GLY . . . . . 0.468 ' O ' ' O ' ' A' ' 40' ' ' HIS . . . 38.51 79.65 0.04 OUTLIER Glycine 0 CA--C 1.526 0.736 0 N-CA-C 110.812 -0.915 . . . . 0.0 110.812 179.662 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 40' ' ' HIS . . . . . 0.468 ' O ' ' O ' ' A' ' 39' ' ' GLY . 0.5 OUTLIER -45.92 175.03 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.882 0.372 . . . . 0.0 110.425 -179.346 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 41' ' ' ARG . . . . . 0.622 ' O ' HD13 ' A' ' 62' ' ' LEU . 85.2 mtp180 -46.12 138.33 5.34 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.661 -179.702 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -167.33 170.27 41.49 Favored Glycine 0 CA--C 1.52 0.389 0 N-CA-C 110.806 -0.917 . . . . 0.0 110.806 -179.911 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 67.7 m -117.69 131.8 56.58 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-O 120.807 0.337 . . . . 0.0 110.722 -179.79 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 44' ' ' VAL . . . . . 0.429 HG22 ' H ' ' A' ' 44' ' ' VAL . 2.5 m -70.42 114.14 7.64 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.238 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.468 -179.669 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 45' ' ' ALA . . . . . 0.425 ' HB2' HD13 ' A' ' 61' ' ' ILE . . . -90.03 -47.9 7.54 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.721 179.914 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 46' ' ' TYR . . . . . . . . . . . . . 88.1 t80 -144.23 132.94 22.37 Favored 'General case' 0 CA--C 1.519 -0.214 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.562 -179.698 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 47' ' ' VAL . . . . . . . . . . . . . 1.3 p -123.67 121.41 62.39 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.206 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.465 179.639 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 158.81 -159.33 30.18 Favored Glycine 0 CA--C 1.52 0.349 0 N-CA-C 110.658 -0.977 . . . . 0.0 110.658 179.441 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -116.62 152.59 33.9 Favored 'General case' 0 C--O 1.233 0.21 0 CA-C-O 120.966 0.412 . . . . 0.0 110.413 179.528 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 50' ' ' THR . . . . . 0.442 ' O ' ' O ' ' A' ' 53' ' ' ALA . 62.3 p -128.89 155.68 44.88 Favored 'General case' 0 C--N 1.333 -0.142 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.6 -179.877 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 64.7 mt -69.23 -19.24 63.94 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.524 -179.879 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 52' ' ' PHE . . . . . . . . . . . . . 71.7 t80 -70.81 -26.28 63.24 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.534 -179.684 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 53' ' ' ALA . . . . . 0.442 ' O ' ' O ' ' A' ' 50' ' ' THR . . . -145.36 141.61 28.64 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.443 -179.805 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 54' ' ' THR . . . . . . . . . . . . . 11.2 p -81.37 164.33 22.21 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.695 -179.785 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . 85.99 -151.01 24.46 Favored Glycine 0 CA--C 1.519 0.314 0 N-CA-C 110.915 -0.874 . . . . 0.0 110.915 179.824 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 87.4 tttt -133.58 131.9 40.22 Favored 'General case' 0 C--N 1.333 -0.152 0 CA-C-O 121.056 0.455 . . . . 0.0 110.33 179.849 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 57' ' ' TRP . . . . . . . . . . . . . 0.0 OUTLIER -141.59 159.34 42.41 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.485 179.836 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 58' ' ' VAL . . . . . . . . . . . . . 61.9 t -125.84 129.77 72.47 Favored 'Isoleucine or valine' 0 CA--C 1.521 -0.143 0 CA-C-N 116.02 -0.536 . . . . 0.0 110.931 179.586 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . -83.64 112.93 3.63 Favored Glycine 0 CA--C 1.521 0.422 0 N-CA-C 110.315 -1.114 . . . . 0.0 110.315 179.724 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 60' ' ' VAL . . . . . 0.472 ' C ' HD12 ' A' ' 61' ' ' ILE . 40.1 t -117.37 134.22 61.64 Favored 'Isoleucine or valine' 0 C--O 1.234 0.249 0 CA-C-O 121.353 0.597 . . . . 0.0 110.93 -179.376 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 61' ' ' ILE . . . . . 0.654 HD12 ' N ' ' A' ' 61' ' ' ILE . 1.6 mp -95.84 109.41 22.62 Favored 'Isoleucine or valine' 0 CA--C 1.531 0.22 0 CA-C-N 115.937 -0.574 . . . . 0.0 109.901 179.416 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 62' ' ' LEU . . . . . 0.622 HD13 ' O ' ' A' ' 41' ' ' ARG . 3.2 mm? -73.21 134.99 44.52 Favored 'General case' 0 C--N 1.325 -0.486 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.57 179.908 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 46.9 t0 -67.44 -37.5 83.08 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.072 -0.513 . . . . 0.0 110.328 179.684 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 80.6 mm-40 -88.4 167.8 13.18 Favored 'General case' 0 C--N 1.331 -0.207 0 CA-C-N 116.246 -0.433 . . . . 0.0 110.303 179.979 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -67.48 95.56 0.47 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.866 -179.935 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 66' ' ' LYS . . . . . 0.471 ' N ' ' O ' ' A' ' 84' ' ' GLY . 20.0 tptt -108.48 109.08 20.26 Favored 'General case' 0 CA--C 1.53 0.177 0 CA-C-N 116.335 -0.393 . . . . 0.0 110.123 179.746 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . -46.36 105.07 0.08 OUTLIER Glycine 0 N--CA 1.449 -0.485 0 C-N-CA 120.725 -0.75 . . . . 0.0 112.22 -179.705 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 68' ' ' LYS . . . . . 0.413 ' HG3' HD13 ' A' ' 87' ' ' ILE . 6.1 tmtt? -167.85 132.69 1.83 Allowed 'General case' 0 C--N 1.329 -0.302 0 C-N-CA 121.185 -0.206 . . . . 0.0 110.544 179.412 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 69' ' ' ASN . . . . . . . . . . . . . 32.3 m120 -89.26 120.64 30.8 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-O 120.949 0.404 . . . . 0.0 110.806 179.677 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 50.4 t0 -122.22 102.43 8.12 Favored 'General case' 0 C--O 1.232 0.181 0 CA-C-N 116.301 -0.409 . . . . 0.0 110.697 179.776 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . -177.55 -160.8 24.84 Favored Glycine 0 CA--C 1.524 0.629 0 N-CA-C 110.897 -0.881 . . . . 0.0 110.897 179.758 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 72' ' ' THR . . . . . 0.476 HG22 ' H ' ' A' ' 72' ' ' THR . 0.0 OUTLIER -67.28 126.72 30.13 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-O 121.008 0.432 . . . . 0.0 110.393 -179.916 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 73' ' ' VAL . . . . . . . . . . . . . 3.1 t -121.15 125.21 73.61 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.2 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.392 179.871 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 74' ' ' GLN . . . . . . . . . . . . . 45.7 tp60 53.44 29.23 8.58 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.48 179.897 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . 84.68 1.41 89.1 Favored Glycine 0 CA--C 1.521 0.438 0 N-CA-C 110.891 -0.884 . . . . 0.0 110.891 179.944 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 76' ' ' ARG . . . . . . . . . . . . . 6.4 mmp_? -95.29 114.06 25.8 Favored 'General case' 0 C--N 1.331 -0.207 0 CA-C-O 121.088 0.471 . . . . 0.0 110.364 -179.947 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 85.8 tttt -103.13 94.09 5.35 Favored 'General case' 0 CA--C 1.52 -0.203 0 CA-C-O 121.039 0.447 . . . . 0.0 110.516 -179.803 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 78' ' ' TYR . . . . . . . . . . . . . 48.4 m-85 -123.25 -23.65 4.84 Favored 'General case' 0 C--O 1.232 0.182 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.491 179.856 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 79' ' ' PHE . . . . . . . . . . . . . 67.9 m-85 -129.91 146.58 51.62 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-O 121.03 0.443 . . . . 0.0 110.284 -179.951 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 80' ' ' THR . . . . . 0.675 HG23 ' O ' ' A' ' 80' ' ' THR . 15.1 t -151.9 114.83 4.67 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.546 179.648 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 81' ' ' CYS . . . . . . . . . . . . . 6.5 t -160.39 155.9 25.28 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.454 179.725 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 82' ' ' ASP . . . . . . . . . . . . . 92.5 m-20 -61.26 139.5 58.14 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.266 -0.424 . . . . 0.0 110.727 179.912 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 98.1 mt-10 -48.58 133.98 16.16 Favored 'General case' 0 CA--C 1.519 -0.223 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.413 -179.891 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 84' ' ' GLY . . . . . 0.471 ' O ' ' N ' ' A' ' 66' ' ' LYS . . . 115.81 -3.05 21.33 Favored Glycine 0 CA--C 1.524 0.611 0 N-CA-C 110.654 -0.979 . . . . 0.0 110.654 -179.644 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 85' ' ' HIS . . . . . 0.505 ' ND1' ' O ' ' A' ' 62' ' ' LEU . 6.7 m-70 -145.04 166.99 23.74 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-O 120.919 0.39 . . . . 0.0 110.352 179.775 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 86' ' ' GLY . . . . . . . . . . . . . . . 108.62 43.61 1.22 Allowed Glycine 0 CA--C 1.524 0.615 0 N-CA-C 110.978 -0.849 . . . . 0.0 110.978 179.93 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 87' ' ' ILE . . . . . 0.413 HD13 ' HG3' ' A' ' 68' ' ' LYS . 3.7 mm -80.02 142.3 14.12 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.406 0 CA-C-O 121.026 0.441 . . . . 0.0 110.509 179.548 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 88' ' ' PHE . . . . . . . . . . . . . 88.3 m-85 -101.29 118.53 37.15 Favored 'General case' 0 C--O 1.234 0.276 0 CA-C-O 120.988 0.423 . . . . 0.0 110.195 -179.946 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 89' ' ' VAL . . . . . . . . . . . . . 33.3 m -127.08 160.33 35.97 Favored 'Isoleucine or valine' 0 CA--C 1.518 -0.279 0 CA-C-N 116.283 -0.417 . . . . 0.0 110.665 -179.911 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 90' ' ' ARG . . . . . . . . . . . . . 82.4 mtp180 -90.98 165.46 13.54 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.516 -179.806 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 91' ' ' GLN . . . . . . . . . . . . . 24.3 pt20 -60.52 -38.11 83.34 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.314 -0.403 . . . . 0.0 110.597 -179.923 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 36.8 t -66.25 -36.3 82.65 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 116.297 -0.411 . . . . 0.0 110.663 -179.797 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 93' ' ' GLN . . . . . . . . . . . . . 15.8 mm100 -68.71 -48.01 64.93 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.766 -179.266 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 94' ' ' ILE . . . . . 0.421 ' O ' HG23 ' A' ' 94' ' ' ILE . 20.0 tt -91.14 133.19 33.59 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.343 0 CA-C-O 120.934 0.397 . . . . 0.0 110.753 -179.859 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 95' ' ' GLN . . . . . . . . . . . . . 52.8 mm-40 -132.69 157.93 43.62 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-O 121.022 0.439 . . . . 0.0 110.427 -179.932 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 96' ' ' VAL . . . . . . . . . . . . . 4.1 p -118.26 131.55 70.7 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.169 0 CA-C-O 121.048 0.452 . . . . 0.0 110.319 -179.88 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 97' ' ' PHE . . . . . . . . . . . . . 52.7 p90 . . . . . 0 C--O 1.221 -0.447 0 CA-C-O 117.932 -1.032 . . . . 0.0 110.63 -179.934 . . . . . . . . 0 0 . 1 . 006 nuclear build full ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 50.4 tp . . . . . 0 N--CA 1.488 1.475 0 N-CA-C 109.343 -0.614 . . . . 0.0 109.343 . . . . . . . . . 0 0 . 1 . 006 nuclear build full ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 99.6 mtt180 -136.3 160.52 38.45 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.957 0.408 . . . . 0.0 110.787 179.671 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 29' ' ' VAL . . . . . 0.433 ' O ' HG23 ' A' ' 29' ' ' VAL . 18.8 m -64.49 131.92 30.27 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.377 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.201 -179.877 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . 97.04 -6.79 64.25 Favored Glycine 0 CA--C 1.525 0.674 0 N-CA-C 110.931 -0.868 . . . . 0.0 110.931 -179.755 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 27.2 m -67.55 141.27 56.89 Favored 'General case' 0 C--N 1.33 -0.244 0 C-N-CA 120.994 -0.282 . . . . 0.0 110.241 179.964 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 39.0 mtp180 -101.35 120.92 40.99 Favored 'General case' 0 N--CA 1.465 0.285 0 CA-C-N 116.507 -0.315 . . . . 0.0 110.264 179.741 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 1.5 m -149.17 175.9 1.02 Allowed 'Isoleucine or valine' 0 C--N 1.331 -0.225 0 CA-C-N 115.872 -0.604 . . . . 0.0 109.947 -179.97 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 10.4 pt-20 -121.14 133.95 55.22 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.231 179.205 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 35' ' ' VAL . . . . . 0.475 ' O ' ' O ' ' A' ' 38' ' ' LYS . 4.7 t -73.65 123.45 28.78 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.386 0 CA-C-O 121.418 0.628 . . . . 0.0 110.291 -179.885 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 5.1 mm -66.73 127.34 28.0 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.825 0 CA-C-N 116.119 -0.492 . . . . 0.0 110.738 -179.449 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 98.83 -35.86 4.39 Favored Glycine 0 CA--C 1.522 0.482 0 N-CA-C 110.82 -0.912 . . . . 0.0 110.82 179.691 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 38' ' ' LYS . . . . . 0.475 ' O ' ' O ' ' A' ' 35' ' ' VAL . 23.7 ttpt -162.46 -138.62 0.04 OUTLIER 'General case' 0 C--N 1.331 -0.199 0 C-N-CA 120.688 -0.405 . . . . 0.0 110.243 -179.924 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 39' ' ' GLY . . . . . 0.472 ' O ' ' O ' ' A' ' 40' ' ' HIS . . . 35.75 78.51 0.04 OUTLIER Glycine 0 C--N 1.336 0.541 0 N-CA-C 111.074 -0.81 . . . . 0.0 111.074 179.527 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 40' ' ' HIS . . . . . 0.564 ' CG ' ' H ' ' A' ' 41' ' ' ARG . 53.7 t60 -45.17 174.71 0.0 OUTLIER 'General case' 0 C--N 1.327 -0.406 0 CA-C-O 120.913 0.387 . . . . 0.0 110.499 -179.293 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 41' ' ' ARG . . . . . 0.564 ' H ' ' CG ' ' A' ' 40' ' ' HIS . 90.4 mtm180 -45.82 143.09 2.23 Favored 'General case' 0 C--N 1.325 -0.48 0 CA-C-N 116.345 -0.389 . . . . 0.0 110.706 -179.473 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -173.73 -176.13 41.95 Favored Glycine 0 CA--C 1.525 0.666 0 N-CA-C 110.658 -0.977 . . . . 0.0 110.658 -179.895 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 17.6 m -126.07 137.68 53.64 Favored 'General case' 0 N--CA 1.466 0.357 0 CA-C-O 120.735 0.302 . . . . 0.0 110.516 -179.664 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 44' ' ' VAL . . . . . 0.45 ' H ' HG22 ' A' ' 44' ' ' VAL . 2.1 m -74.62 115.53 15.98 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-O 120.974 0.416 . . . . 0.0 110.252 -179.857 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 45' ' ' ALA . . . . . 0.481 ' HB2' HD13 ' A' ' 61' ' ' ILE . . . -98.3 -48.78 4.94 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.501 179.879 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 46' ' ' TYR . . . . . . . . . . . . . 78.6 t80 -124.03 126.05 45.6 Favored 'General case' 0 N--CA 1.467 0.382 0 CA-C-N 116.396 -0.365 . . . . 0.0 110.616 -179.815 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 47' ' ' VAL . . . . . . . . . . . . . 2.8 p -134.39 121.57 37.2 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.27 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.471 179.886 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 160.34 -173.94 37.0 Favored Glycine 0 CA--C 1.52 0.35 0 N-CA-C 110.676 -0.969 . . . . 0.0 110.676 179.496 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -96.82 145.62 25.67 Favored 'General case' 0 C--N 1.328 -0.332 0 N-CA-C 110.1 -0.333 . . . . 0.0 110.1 179.461 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 71.7 p -129.88 147.48 51.65 Favored 'General case' 0 N--CA 1.465 0.292 0 CA-C-O 120.955 0.407 . . . . 0.0 110.369 -179.97 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 75.6 mt -69.59 -13.47 62.34 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-N 116.008 -0.542 . . . . 0.0 110.555 -179.64 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 52' ' ' PHE . . . . . . . . . . . . . 63.6 t80 -69.25 -28.55 66.42 Favored 'General case' 0 C--N 1.327 -0.413 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.6 -179.832 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -151.49 154.15 36.0 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-N 116.465 -0.334 . . . . 0.0 110.517 -179.909 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 54' ' ' THR . . . . . . . . . . . . . 70.2 p -80.54 159.9 25.35 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.287 -0.415 . . . . 0.0 110.448 179.998 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . 87.2 -154.02 25.96 Favored Glycine 0 CA--C 1.522 0.495 0 N-CA-C 110.486 -1.046 . . . . 0.0 110.486 -179.881 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 36.0 ttmt -117.38 118.44 32.25 Favored 'General case' 0 CA--C 1.52 -0.184 0 CA-C-O 120.766 0.317 . . . . 0.0 110.409 179.891 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 57' ' ' TRP . . . . . . . . . . . . . 6.5 m0 -104.23 137.22 42.47 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.216 -179.916 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 58' ' ' VAL . . . . . . . . . . . . . 47.6 t -128.89 123.31 58.75 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.23 0 CA-C-N 115.956 -0.565 . . . . 0.0 110.469 179.859 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . -89.44 117.71 5.02 Favored Glycine 0 CA--C 1.519 0.33 0 N-CA-C 109.919 -1.272 . . . . 0.0 109.919 179.527 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 60' ' ' VAL . . . . . 0.412 ' C ' HD12 ' A' ' 61' ' ' ILE . 56.1 t -114.3 137.27 48.15 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.32 0 CA-C-O 121.441 0.639 . . . . 0.0 110.744 -179.359 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 61' ' ' ILE . . . . . 0.552 HD12 ' N ' ' A' ' 61' ' ' ILE . 1.7 mp -98.67 114.94 37.79 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 N-CA-C 109.339 -0.615 . . . . 0.0 109.339 179.625 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 62' ' ' LEU . . . . . 0.987 HD22 ' H ' ' A' ' 62' ' ' LEU . 0.5 OUTLIER -77.1 143.06 39.47 Favored 'General case' 0 C--N 1.323 -0.557 0 CA-C-N 115.574 -0.739 . . . . 0.0 110.708 -179.869 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 90.9 m-20 -62.62 -44.43 96.3 Favored 'General case' 0 N--CA 1.448 -0.559 0 CA-C-N 115.531 -0.759 . . . . 0.0 110.575 -179.914 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 18.7 pt-20 -93.3 167.35 11.8 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.112 179.646 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -55.46 135.6 50.39 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 116.333 -0.394 . . . . 0.0 110.63 -179.802 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 66' ' ' LYS . . . . . 0.429 ' O ' ' O ' ' A' ' 84' ' ' GLY . 11.1 tptm -143.99 104.6 4.17 Favored 'General case' 0 C--O 1.225 -0.19 0 CA-C-O 121.26 0.552 . . . . 0.0 110.101 179.787 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . -44.28 103.09 0.04 OUTLIER Glycine 0 C--N 1.316 -0.547 0 C-N-CA 120.468 -0.872 . . . . 0.0 112.015 -179.221 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 28.3 tptp -169.3 131.82 1.22 Allowed 'General case' 0 C--N 1.325 -0.465 0 CA-C-N 115.119 -0.54 . . . . 0.0 110.789 179.011 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 69' ' ' ASN . . . . . 0.443 ' OD1' ' O ' ' A' ' 69' ' ' ASN . 35.2 p-10 -94.37 121.52 35.98 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.317 179.031 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 70' ' ' ASP . . . . . 0.483 ' OD2' ' N ' ' A' ' 81' ' ' CYS . 9.3 t70 -120.92 104.66 10.0 Favored 'General case' 0 N--CA 1.465 0.325 0 CA-C-N 116.311 -0.404 . . . . 0.0 110.369 179.95 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . -176.96 -151.99 9.48 Favored Glycine 0 CA--C 1.523 0.592 0 N-CA-C 110.892 -0.883 . . . . 0.0 110.892 -179.989 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 72' ' ' THR . . . . . 0.442 HG22 ' H ' ' A' ' 72' ' ' THR . 0.0 OUTLIER -66.46 111.59 3.65 Favored 'General case' 0 C--N 1.327 -0.409 0 N-CA-C 110.141 -0.318 . . . . 0.0 110.141 179.98 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 73' ' ' VAL . . . . . . . . . . . . . 78.6 t -118.21 129.14 74.98 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.231 0 CA-C-O 121.0 0.428 . . . . 0.0 110.23 -179.952 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 74' ' ' GLN . . . . . . . . . . . . . 37.1 tp60 55.35 21.54 4.26 Favored 'General case' 0 C--N 1.325 -0.46 0 CA-C-N 115.89 -0.596 . . . . 0.0 110.413 179.938 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . 83.13 4.53 89.75 Favored Glycine 0 CA--C 1.523 0.533 0 N-CA-C 111.021 -0.832 . . . . 0.0 111.021 -179.848 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 76' ' ' ARG . . . . . . . . . . . . . 6.7 mmp_? -103.09 121.75 43.24 Favored 'General case' 0 CA--C 1.521 -0.169 0 CA-C-O 120.767 0.317 . . . . 0.0 110.597 179.919 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 89.0 tttt -105.82 89.89 3.22 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.113 179.48 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 78' ' ' TYR . . . . . . . . . . . . . 36.7 m-85 -108.45 -28.29 9.44 Favored 'General case' 0 N--CA 1.466 0.333 0 CA-C-N 116.298 -0.41 . . . . 0.0 110.5 179.876 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 79' ' ' PHE . . . . . . . . . . . . . 4.4 p90 -144.6 152.88 41.15 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.343 -0.389 . . . . 0.0 110.577 -179.869 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 80' ' ' THR . . . . . . . . . . . . . 53.5 m -147.85 125.5 11.81 Favored 'General case' 0 C--N 1.331 -0.206 0 CA-C-N 115.92 -0.582 . . . . 0.0 110.646 179.85 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 81' ' ' CYS . . . . . 0.483 ' N ' ' OD2' ' A' ' 70' ' ' ASP . 5.6 t -155.25 157.67 37.63 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 116.097 -0.501 . . . . 0.0 110.283 179.662 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 82' ' ' ASP . . . . . . . . . . . . . 98.8 m-20 -60.69 140.19 57.59 Favored 'General case' 0 C--O 1.236 0.378 0 CA-C-O 121.293 0.568 . . . . 0.0 110.521 -179.914 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 81.6 tt0 -48.16 138.28 9.67 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 115.922 -0.581 . . . . 0.0 110.076 -179.863 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 84' ' ' GLY . . . . . 0.429 ' O ' ' O ' ' A' ' 66' ' ' LYS . . . 103.83 -3.63 45.53 Favored Glycine 0 CA--C 1.523 0.593 0 N-CA-C 110.613 -0.995 . . . . 0.0 110.613 -179.721 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 85' ' ' HIS . . . . . . . . . . . . . 49.9 m-70 -141.99 165.17 28.18 Favored 'General case' 0 N--CA 1.463 0.199 0 C-N-CA 121.166 -0.213 . . . . 0.0 110.814 179.954 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 86' ' ' GLY . . . . . . . . . . . . . . . 101.3 42.61 2.34 Favored Glycine 0 C--N 1.338 0.691 0 N-CA-C 110.933 -0.867 . . . . 0.0 110.933 179.978 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 87' ' ' ILE . . . . . . . . . . . . . 3.4 tp -78.54 132.37 32.47 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.381 0 N-CA-C 110.178 -0.304 . . . . 0.0 110.178 -179.953 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 88' ' ' PHE . . . . . 0.494 ' CD1' ' O ' ' A' ' 88' ' ' PHE . 51.7 p90 -87.72 131.33 34.52 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.912 -179.816 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 89' ' ' VAL . . . . . . . . . . . . . 30.5 m -136.46 160.0 37.86 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.241 0 CA-C-N 116.059 -0.519 . . . . 0.0 110.204 179.629 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 90' ' ' ARG . . . . . . . . . . . . . 92.0 mtt180 -86.21 163.52 17.73 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 115.963 -0.562 . . . . 0.0 110.536 -179.815 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 91' ' ' GLN . . . . . . . . . . . . . 60.8 tt0 -60.09 -41.59 92.81 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.492 -179.551 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 63.5 p -63.66 -32.73 74.3 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.82 179.873 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 93' ' ' GLN . . . . . . . . . . . . . 86.7 mt-30 -69.08 -48.25 63.17 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.304 -0.407 . . . . 0.0 110.851 -179.786 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 94' ' ' ILE . . . . . 0.476 HG23 ' O ' ' A' ' 94' ' ' ILE . 20.7 tt -90.21 128.35 42.19 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.368 0 CA-C-N 116.313 -0.403 . . . . 0.0 110.462 179.971 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 95' ' ' GLN . . . . . . . . . . . . . 86.1 mt-30 -143.44 154.65 43.9 Favored 'General case' 0 C--N 1.331 -0.199 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.564 -179.831 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 96' ' ' VAL . . . . . . . . . . . . . 29.3 m -75.07 138.16 21.53 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 115.979 -0.555 . . . . 0.0 110.596 -179.92 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 97' ' ' PHE . . . . . . . . . . . . . 89.8 t80 . . . . . 0 C--O 1.22 -0.467 0 CA-C-O 118.05 -0.976 . . . . 0.0 110.56 -179.983 . . . . . . . . 0 0 . 1 . 007 nuclear build full ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 54.8 tp . . . . . 0 N--CA 1.491 1.585 0 N-CA-C 109.448 -0.575 . . . . 0.0 109.448 . . . . . . . . . 0 0 . 1 . 007 nuclear build full ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 93.4 mtt-85 -67.17 140.52 57.49 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.652 -179.538 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 6.7 m -67.13 135.99 27.53 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.418 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.416 -179.871 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . 94.99 -12.51 68.4 Favored Glycine 0 CA--C 1.524 0.622 0 N-CA-C 110.869 -0.892 . . . . 0.0 110.869 -179.862 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 6.6 p -71.84 146.4 47.99 Favored 'General case' 0 C--N 1.329 -0.285 0 N-CA-C 110.003 -0.369 . . . . 0.0 110.003 179.954 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 32.2 ptt85 -107.97 123.04 48.04 Favored 'General case' 0 N--CA 1.465 0.305 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.391 179.752 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 3.3 m -145.85 165.72 9.69 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 115.86 -0.609 . . . . 0.0 110.363 179.887 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 13.8 pt-20 -106.73 129.31 54.63 Favored 'General case' 0 N--CA 1.464 0.24 0 CA-C-N 116.283 -0.417 . . . . 0.0 109.992 179.343 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 35' ' ' VAL . . . . . 0.447 ' O ' ' O ' ' A' ' 38' ' ' LYS . 21.6 t -68.09 128.91 32.22 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 CA-C-O 121.237 0.541 . . . . 0.0 109.812 -179.686 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 89.7 mt -63.92 126.54 22.78 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.634 0 C-N-CA 120.343 -0.543 . . . . 0.0 111.099 -179.189 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 97.8 -37.24 3.54 Favored Glycine 0 CA--C 1.527 0.803 0 N-CA-C 111.333 -0.707 . . . . 0.0 111.333 179.482 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 38' ' ' LYS . . . . . 0.447 ' O ' ' O ' ' A' ' 35' ' ' VAL . 25.4 pttm -163.79 -136.93 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.248 0 CA-C-O 120.825 0.345 . . . . 0.0 110.511 -179.986 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 39' ' ' GLY . . . . . 0.463 ' O ' ' O ' ' A' ' 40' ' ' HIS . . . 40.07 79.82 0.04 OUTLIER Glycine 0 C--N 1.334 0.447 0 N-CA-C 111.25 -0.74 . . . . 0.0 111.25 179.137 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 40' ' ' HIS . . . . . 0.463 ' O ' ' O ' ' A' ' 39' ' ' GLY . 59.9 m170 -44.58 173.81 0.0 OUTLIER 'General case' 0 C--N 1.33 -0.269 0 CA-C-O 121.012 0.434 . . . . 0.0 110.481 -179.547 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 82.4 mtp180 -46.39 139.99 4.5 Favored 'General case' 0 C--N 1.325 -0.473 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.986 -179.43 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -166.6 163.09 36.73 Favored Glycine 0 CA--C 1.524 0.646 0 N-CA-C 110.762 -0.935 . . . . 0.0 110.762 179.901 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 12.5 p -109.26 141.07 42.08 Favored 'General case' 0 N--CA 1.466 0.334 0 CA-C-O 120.958 0.409 . . . . 0.0 110.857 -179.703 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 44' ' ' VAL . . . . . 0.436 ' H ' HG22 ' A' ' 44' ' ' VAL . 1.6 m -78.34 113.03 17.04 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 115.979 -0.555 . . . . 0.0 109.965 -179.935 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -97.6 -48.52 5.22 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.836 -179.854 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 46' ' ' TYR . . . . . . . . . . . . . 80.2 t80 -124.19 132.09 53.59 Favored 'General case' 0 N--CA 1.467 0.4 0 CA-C-O 120.989 0.423 . . . . 0.0 110.886 -179.438 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 47' ' ' VAL . . . . . . . . . . . . . 2.6 p -132.71 120.87 43.33 Favored 'Isoleucine or valine' 0 C--N 1.333 -0.151 0 CA-C-N 115.998 -0.546 . . . . 0.0 110.382 179.649 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 48' ' ' GLY . . . . . 0.422 ' O ' ' O ' ' A' ' 57' ' ' TRP . . . 160.17 -178.48 36.2 Favored Glycine 0 CA--C 1.52 0.36 0 N-CA-C 110.668 -0.973 . . . . 0.0 110.668 179.385 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -88.52 135.69 33.36 Favored 'General case' 0 C--N 1.328 -0.349 0 N-CA-C 110.059 -0.348 . . . . 0.0 110.059 179.328 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 50' ' ' THR . . . . . 0.478 ' O ' ' O ' ' A' ' 53' ' ' ALA . 76.7 p -110.88 144.52 39.8 Favored 'General case' 0 N--CA 1.466 0.369 0 CA-C-O 120.918 0.389 . . . . 0.0 110.352 -179.946 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 62.4 mt -69.52 -17.72 63.61 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.5 -179.775 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 52' ' ' PHE . . . . . . . . . . . . . 81.0 t80 -69.74 -21.88 63.42 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.07 -0.514 . . . . 0.0 110.556 -179.78 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 53' ' ' ALA . . . . . 0.478 ' O ' ' O ' ' A' ' 50' ' ' THR . . . -149.37 149.21 30.5 Favored 'General case' 0 N--CA 1.463 0.188 0 CA-C-O 120.927 0.394 . . . . 0.0 110.508 179.899 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 54' ' ' THR . . . . . . . . . . . . . 18.6 m -78.72 153.49 30.84 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-N 116.294 -0.412 . . . . 0.0 110.816 -179.8 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . 86.72 -163.15 34.93 Favored Glycine 0 CA--C 1.52 0.36 0 N-CA-C 110.505 -1.038 . . . . 0.0 110.505 179.873 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 36.9 ttmt -100.55 141.18 33.78 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.897 0.38 . . . . 0.0 110.252 179.995 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 57' ' ' TRP . . . . . 0.422 ' O ' ' O ' ' A' ' 48' ' ' GLY . 94.5 m95 -137.53 140.89 41.37 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.365 179.784 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 58' ' ' VAL . . . . . . . . . . . . . 47.7 t -117.88 127.03 75.21 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.332 0 CA-C-N 116.406 -0.361 . . . . 0.0 110.508 -179.999 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . -89.33 115.28 4.47 Favored Glycine 0 CA--C 1.519 0.319 0 N-CA-C 109.961 -1.256 . . . . 0.0 109.961 179.739 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 60' ' ' VAL . . . . . 0.506 ' C ' HD12 ' A' ' 61' ' ' ILE . 43.4 t -116.99 137.2 51.66 Favored 'Isoleucine or valine' 0 C--O 1.233 0.192 0 CA-C-O 121.139 0.495 . . . . 0.0 110.621 -179.302 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 61' ' ' ILE . . . . . 0.645 ' N ' HD12 ' A' ' 61' ' ' ILE . 1.7 mp -99.16 110.98 27.56 Favored 'Isoleucine or valine' 0 CA--C 1.517 -0.307 0 N-CA-C 109.09 -0.707 . . . . 0.0 109.09 179.061 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 62' ' ' LEU . . . . . 0.971 ' H ' HD22 ' A' ' 62' ' ' LEU . 0.4 OUTLIER -75.74 146.99 39.66 Favored 'General case' 0 C--N 1.324 -0.507 0 CA-C-N 115.526 -0.761 . . . . 0.0 110.801 -179.504 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 88.4 m-20 -67.82 -19.19 65.04 Favored 'General case' 0 C--N 1.322 -0.596 0 CA-C-N 115.552 -0.749 . . . . 0.0 110.516 -179.762 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 64' ' ' GLU . . . . . 0.415 ' O ' ' NE2' ' A' ' 85' ' ' HIS . 80.2 mm-40 -109.87 176.07 5.2 Favored 'General case' 0 N--CA 1.465 0.321 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.356 -179.976 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -77.5 95.03 4.4 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.089 -0.505 . . . . 0.0 110.766 -179.514 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 66' ' ' LYS . . . . . 0.531 ' N ' ' O ' ' A' ' 84' ' ' GLY . 4.7 tptp -97.48 107.37 19.87 Favored 'General case' 0 N--CA 1.464 0.228 0 CA-C-O 121.177 0.513 . . . . 0.0 109.744 179.903 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . -43.33 101.44 0.02 OUTLIER Glycine 0 C--N 1.315 -0.592 0 C-N-CA 120.475 -0.869 . . . . 0.0 112.124 -179.186 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 19.8 tptp -165.92 136.07 3.47 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-N 114.975 -0.612 . . . . 0.0 110.878 179.388 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 69' ' ' ASN . . . . . . . . . . . . . 86.4 m-20 -87.87 120.23 29.0 Favored 'General case' 0 C--N 1.331 -0.211 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.543 179.722 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 32.7 t0 -116.49 107.2 14.47 Favored 'General case' 0 N--CA 1.466 0.342 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.369 179.738 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . 177.41 -150.75 10.33 Favored Glycine 0 CA--C 1.523 0.556 0 N-CA-C 110.961 -0.856 . . . . 0.0 110.961 -179.908 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 72' ' ' THR . . . . . 0.44 HG22 ' H ' ' A' ' 72' ' ' THR . 0.0 OUTLIER -67.67 122.48 18.14 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.637 0.256 . . . . 0.0 110.381 179.982 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 73' ' ' VAL . . . . . . . . . . . . . 92.2 t -120.35 126.6 75.44 Favored 'Isoleucine or valine' 0 N--CA 1.463 0.213 0 CA-C-O 121.099 0.476 . . . . 0.0 110.165 179.7 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 74' ' ' GLN . . . . . . . . . . . . . 39.9 tp60 60.11 20.2 9.45 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-N 115.838 -0.619 . . . . 0.0 110.297 -179.824 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . 89.56 -2.94 83.32 Favored Glycine 0 CA--C 1.525 0.706 0 N-CA-C 111.124 -0.79 . . . . 0.0 111.124 179.944 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 76' ' ' ARG . . . . . . . . . . . . . 83.5 mmt-85 -103.63 124.94 49.75 Favored 'General case' 0 CA--C 1.519 -0.225 0 CA-C-O 120.98 0.419 . . . . 0.0 109.928 -179.81 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 88.6 tttt -104.52 105.23 15.26 Favored 'General case' 0 C--N 1.332 -0.19 0 CA-C-N 115.907 -0.588 . . . . 0.0 110.572 -179.836 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 78' ' ' TYR . . . . . . . . . . . . . 67.3 m-85 -94.36 -49.53 5.66 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.092 -0.504 . . . . 0.0 110.368 179.47 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 79' ' ' PHE . . . . . . . . . . . . . 25.1 p90 -155.34 160.09 40.45 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 115.946 -0.57 . . . . 0.0 110.643 179.992 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 80' ' ' THR . . . . . . . . . . . . . 97.4 m -128.44 129.27 45.89 Favored 'General case' 0 N--CA 1.465 0.288 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.626 179.969 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 81' ' ' CYS . . . . . . . . . . . . . 8.6 t -136.77 168.2 19.99 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.054 -0.521 . . . . 0.0 110.203 179.934 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 82' ' ' ASP . . . . . . . . . . . . . 98.3 m-20 -63.29 139.39 58.77 Favored 'General case' 0 C--N 1.325 -0.47 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.775 -179.709 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 80.9 mm-40 -51.11 116.6 2.09 Favored 'General case' 0 CA--C 1.514 -0.406 0 CA-C-N 115.933 -0.576 . . . . 0.0 109.883 179.796 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 84' ' ' GLY . . . . . 0.531 ' O ' ' N ' ' A' ' 66' ' ' LYS . . . 115.86 9.58 12.17 Favored Glycine 0 CA--C 1.527 0.795 0 N-CA-C 110.763 -0.935 . . . . 0.0 110.763 -179.957 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 85' ' ' HIS . . . . . 0.415 ' NE2' ' O ' ' A' ' 64' ' ' GLU . 32.0 m170 -134.68 169.39 17.4 Favored 'General case' 0 N--CA 1.467 0.399 0 O-C-N 122.603 -0.351 . . . . 0.0 110.842 179.883 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 86' ' ' GLY . . . . . . . . . . . . . . . 85.29 47.76 5.07 Favored Glycine 0 C--N 1.337 0.634 0 N-CA-C 111.081 -0.808 . . . . 0.0 111.081 -179.993 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 87' ' ' ILE . . . . . 0.622 HG22 HD21 ' A' ' 62' ' ' LEU . 16.7 tt -85.35 130.0 36.95 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.245 0 CA-C-O 121.026 0.441 . . . . 0.0 110.577 -179.911 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 88' ' ' PHE . . . . . . . . . . . . . 53.1 m-85 -77.24 136.54 38.54 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 115.838 -0.619 . . . . 0.0 110.586 -179.61 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 89' ' ' VAL . . . . . . . . . . . . . 33.8 m -140.56 158.11 24.38 Favored 'Isoleucine or valine' 0 C--O 1.236 0.355 0 CA-C-N 115.996 -0.547 . . . . 0.0 110.306 179.51 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 90' ' ' ARG . . . . . . . . . . . . . 84.1 mtp180 -77.76 150.69 34.33 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 115.835 -0.621 . . . . 0.0 110.329 179.67 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 91' ' ' GLN . . . . . . . . . . . . . 22.6 pt20 -63.18 -34.25 77.22 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.099 -0.5 . . . . 0.0 110.689 -179.75 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 77.6 p -72.52 -32.83 66.45 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.133 179.903 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 93' ' ' GLN . . . . . . . . . . . . . 3.2 tp-100 -69.38 -37.28 77.49 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.853 -179.199 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 94' ' ' ILE . . . . . 0.421 ' O ' HG23 ' A' ' 94' ' ' ILE . 19.5 tt -88.99 132.63 33.3 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.101 -179.868 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 95' ' ' GLN . . . . . . . . . . . . . 58.2 tt0 -139.4 155.26 47.74 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.172 -179.895 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 96' ' ' VAL . . . . . . . . . . . . . 6.2 p -120.11 131.48 72.36 Favored 'Isoleucine or valine' 0 N--CA 1.463 0.201 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.181 -179.876 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 97' ' ' PHE . . . . . . . . . . . . . 42.9 t80 . . . . . 0 C--O 1.219 -0.5 0 CA-C-O 117.992 -1.004 . . . . 0.0 110.451 -179.662 . . . . . . . . 0 0 . 1 . 008 nuclear build full ' A' A ' 27' ' ' LEU . . . . . 0.479 ' C ' HD23 ' A' ' 27' ' ' LEU . 1.9 tt . . . . . 0 N--CA 1.49 1.526 0 N-CA-C 109.303 -0.629 . . . . 0.0 109.303 . . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 62.3 ttp180 -89.52 143.35 26.89 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.425 179.651 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 35.3 m -64.08 133.48 29.65 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.425 179.889 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . 100.01 -14.1 60.17 Favored Glycine 0 CA--C 1.526 0.746 0 N-CA-C 110.837 -0.905 . . . . 0.0 110.837 -179.807 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 43.2 t -64.93 142.39 58.45 Favored 'General case' 0 C--O 1.24 0.571 0 CA-C-O 120.917 0.389 . . . . 0.0 110.48 -179.885 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 88.5 mtm180 -99.72 122.43 42.71 Favored 'General case' 0 C--O 1.233 0.221 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.348 -179.65 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 2.1 m -145.41 163.67 11.88 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.145 179.354 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 34' ' ' GLU . . . . . 0.405 ' O ' ' CG ' ' A' ' 34' ' ' GLU . 8.3 pt-20 -111.21 127.91 55.75 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.487 178.59 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 53.2 t -65.1 132.47 30.9 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.262 0 CA-C-O 121.06 0.457 . . . . 0.0 110.281 179.898 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 96.0 mt -74.35 129.59 36.47 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.453 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.952 -179.254 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 94.09 -39.6 2.89 Favored Glycine 0 CA--C 1.52 0.385 0 N-CA-C 111.047 -0.821 . . . . 0.0 111.047 179.129 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 53.3 mtmt -155.42 -145.09 0.15 Allowed 'General case' 0 C--N 1.329 -0.324 0 N-CA-C 110.32 -0.252 . . . . 0.0 110.32 -179.799 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 39' ' ' GLY . . . . . 0.483 ' O ' ' O ' ' A' ' 40' ' ' HIS . . . 39.25 78.5 0.05 OUTLIER Glycine 0 CA--C 1.524 0.63 0 N-CA-C 111.205 -0.758 . . . . 0.0 111.205 179.787 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 40' ' ' HIS . . . . . 0.483 ' O ' ' O ' ' A' ' 39' ' ' GLY . 34.1 m80 -45.65 177.62 0.0 OUTLIER 'General case' 0 C--N 1.332 -0.17 0 CA-C-O 121.125 0.488 . . . . 0.0 110.369 179.971 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 41' ' ' ARG . . . . . 0.535 ' O ' HD13 ' A' ' 62' ' ' LEU . 20.9 ptt-85 -42.49 135.73 2.65 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 116.059 -0.518 . . . . 0.0 110.867 -179.355 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -164.28 171.5 39.83 Favored Glycine 0 CA--C 1.519 0.328 0 N-CA-C 110.815 -0.914 . . . . 0.0 110.815 -179.599 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 14.8 m -123.48 132.65 53.98 Favored 'General case' 0 N--CA 1.465 0.297 0 CA-C-O 120.725 0.298 . . . . 0.0 110.472 -179.554 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 77.4 t -76.31 130.07 36.58 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.318 -179.699 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -130.36 -38.79 1.35 Allowed 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.309 -0.405 . . . . 0.0 110.602 -179.911 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 46' ' ' TYR . . . . . . . . . . . . . 63.9 t80 -117.59 117.71 30.14 Favored 'General case' 0 CA--C 1.518 -0.27 0 CA-C-N 116.339 -0.392 . . . . 0.0 110.506 -179.552 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 47' ' ' VAL . . . . . . . . . . . . . 2.8 p -130.8 122.28 51.96 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.261 0 CA-C-O 121.009 0.433 . . . . 0.0 110.326 179.566 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 160.67 -175.53 37.37 Favored Glycine 0 CA--C 1.521 0.442 0 N-CA-C 110.818 -0.913 . . . . 0.0 110.818 179.303 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -98.89 117.53 33.59 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-O 120.948 0.404 . . . . 0.0 110.357 179.574 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 50' ' ' THR . . . . . 0.41 ' O ' ' O ' ' A' ' 53' ' ' ALA . 71.3 p -87.35 148.31 25.1 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.434 179.963 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 51' ' ' LEU . . . . . 0.558 ' N ' HD12 ' A' ' 51' ' ' LEU . 8.7 mp -69.94 -13.43 62.24 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.169 -0.468 . . . . 0.0 110.304 179.934 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 52' ' ' PHE . . . . . . . . . . . . . 90.0 t80 -70.3 -28.01 64.84 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.492 -179.79 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 53' ' ' ALA . . . . . 0.41 ' O ' ' O ' ' A' ' 50' ' ' THR . . . -151.61 153.94 35.45 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.294 -0.412 . . . . 0.0 110.506 179.966 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 54' ' ' THR . . . . . . . . . . . . . 10.4 p -81.73 169.34 17.06 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.6 -179.822 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . 87.78 -146.14 19.77 Favored Glycine 0 CA--C 1.521 0.413 0 N-CA-C 110.712 -0.955 . . . . 0.0 110.712 -179.872 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 85.5 tttt -132.55 122.28 24.57 Favored 'General case' 0 N--CA 1.464 0.257 0 CA-C-O 120.826 0.346 . . . . 0.0 110.315 -179.945 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 57' ' ' TRP . . . . . . . . . . . . . 84.8 m95 -117.23 148.06 41.97 Favored 'General case' 0 C--O 1.234 0.24 0 CA-C-N 116.301 -0.409 . . . . 0.0 110.304 179.964 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 58' ' ' VAL . . . . . . . . . . . . . 53.0 t -125.49 124.14 66.28 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.308 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.504 179.976 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . -87.39 114.35 4.12 Favored Glycine 0 C--O 1.238 0.354 0 N-CA-C 110.476 -1.049 . . . . 0.0 110.476 179.669 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 60' ' ' VAL . . . . . . . . . . . . . 18.2 t -112.0 134.02 55.82 Favored 'Isoleucine or valine' 0 C--O 1.233 0.191 0 CA-C-O 121.088 0.47 . . . . 0.0 110.532 -179.302 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 61' ' ' ILE . . . . . 0.687 ' N ' HD12 ' A' ' 61' ' ' ILE . 1.6 mp -90.56 105.26 16.15 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.254 0 CA-C-N 116.094 -0.503 . . . . 0.0 109.959 179.291 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 62' ' ' LEU . . . . . 0.606 ' N ' HD22 ' A' ' 62' ' ' LEU . 3.3 mm? -69.14 139.82 54.7 Favored 'General case' 0 C--N 1.32 -0.687 0 CA-C-N 116.043 -0.526 . . . . 0.0 111.283 179.491 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 97.0 m-20 -77.94 -19.08 55.26 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-N 116.05 -0.523 . . . . 0.0 110.395 179.693 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 44.0 tt0 -110.5 146.33 36.18 Favored 'General case' 0 N--CA 1.466 0.344 0 CA-C-N 116.324 -0.398 . . . . 0.0 110.313 179.86 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -48.39 101.16 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.061 -0.518 . . . . 0.0 110.625 -179.48 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 66' ' ' LYS . . . . . 0.544 ' N ' ' O ' ' A' ' 84' ' ' GLY . 0.8 OUTLIER -115.83 109.26 17.39 Favored 'General case' 0 N--CA 1.464 0.237 0 CA-C-O 121.358 0.599 . . . . 0.0 110.253 179.422 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . -43.93 104.64 0.06 OUTLIER Glycine 0 CA--C 1.521 0.422 0 C-N-CA 120.638 -0.792 . . . . 0.0 112.101 -179.215 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 68' ' ' LYS . . . . . 0.419 ' NZ ' ' O ' ' A' ' 86' ' ' GLY . 19.0 tptm -169.35 134.58 1.51 Allowed 'General case' 0 N--CA 1.447 -0.604 0 CA-C-O 120.927 0.394 . . . . 0.0 110.68 179.307 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 69' ' ' ASN . . . . . . . . . . . . . 62.6 t30 -90.88 119.85 31.42 Favored 'General case' 0 C--O 1.233 0.223 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.33 178.938 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 70' ' ' ASP . . . . . 0.539 ' OD2' ' N ' ' A' ' 81' ' ' CYS . 13.9 t70 -120.89 101.87 7.99 Favored 'General case' 0 N--CA 1.467 0.393 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.498 179.62 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . -175.22 -148.91 6.99 Favored Glycine 0 CA--C 1.524 0.598 0 N-CA-C 110.912 -0.875 . . . . 0.0 110.912 179.729 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 72' ' ' THR . . . . . 0.448 ' H ' HG22 ' A' ' 72' ' ' THR . 0.0 OUTLIER -76.29 127.7 33.42 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.741 0.305 . . . . 0.0 110.415 -179.752 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 73' ' ' VAL . . . . . . . . . . . . . 64.2 t -119.64 128.11 75.88 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.268 0 CA-C-N 116.354 -0.385 . . . . 0.0 110.191 179.848 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 74' ' ' GLN . . . . . . . . . . . . . 97.9 mt-30 54.1 21.21 2.87 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.034 -0.53 . . . . 0.0 110.558 179.685 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . 89.58 2.06 76.7 Favored Glycine 0 CA--C 1.523 0.549 0 N-CA-C 110.809 -0.916 . . . . 0.0 110.809 179.854 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 76' ' ' ARG . . . . . . . . . . . . . 95.5 mtt-85 -96.29 115.34 27.28 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-O 121.017 0.436 . . . . 0.0 110.074 -179.851 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 88.4 tttt -104.99 92.99 4.46 Favored 'General case' 0 C--N 1.331 -0.207 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.712 -179.583 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 78' ' ' TYR . . . . . . . . . . . . . 38.8 m-85 -102.45 -35.91 8.61 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.347 -0.388 . . . . 0.0 110.373 179.235 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 79' ' ' PHE . . . . . . . . . . . . . 29.2 p90 -151.32 151.32 31.62 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.296 -0.411 . . . . 0.0 110.601 179.909 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 80' ' ' THR . . . . . . . . . . . . . 86.9 m -137.6 135.16 36.36 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.316 -0.402 . . . . 0.0 110.734 -179.818 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 81' ' ' CYS . . . . . 0.539 ' N ' ' OD2' ' A' ' 70' ' ' ASP . 18.6 t -155.64 164.28 38.82 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.264 179.42 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 82' ' ' ASP . . . . . . . . . . . . . 98.7 m-20 -66.57 141.36 57.87 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-O 121.095 0.474 . . . . 0.0 110.574 -179.923 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 17.2 pt-20 -52.14 146.43 8.97 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.06 -0.518 . . . . 0.0 110.336 179.813 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 84' ' ' GLY . . . . . 0.544 ' O ' ' N ' ' A' ' 66' ' ' LYS . . . 101.52 -13.87 58.05 Favored Glycine 0 CA--C 1.522 0.516 0 N-CA-C 110.579 -1.008 . . . . 0.0 110.579 179.981 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 85' ' ' HIS . . . . . . . . . . . . . 9.4 m-70 -138.59 160.3 39.94 Favored 'General case' 0 C--N 1.329 -0.289 0 O-C-N 122.503 -0.41 . . . . 0.0 110.265 -179.801 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 86' ' ' GLY . . . . . 0.419 ' O ' ' NZ ' ' A' ' 68' ' ' LYS . . . 104.64 45.9 1.36 Allowed Glycine 0 CA--C 1.521 0.432 0 N-CA-C 110.875 -0.89 . . . . 0.0 110.875 179.454 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 87' ' ' ILE . . . . . . . . . . . . . 79.4 mt -80.67 153.71 4.35 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.37 0 CA-C-O 121.056 0.455 . . . . 0.0 110.398 179.602 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 88' ' ' PHE . . . . . 0.501 ' O ' ' CD2' ' A' ' 88' ' ' PHE . 54.6 p90 -101.58 126.36 48.39 Favored 'General case' 0 C--O 1.232 0.177 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.301 179.415 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 89' ' ' VAL . . . . . . . . . . . . . 26.9 m -133.61 159.5 42.63 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.256 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.451 179.886 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 90' ' ' ARG . . . . . . . . . . . . . 86.1 mtm180 -87.33 167.89 13.65 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.588 -179.802 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 91' ' ' GLN . . . . . 0.433 ' O ' ' O ' ' A' ' 94' ' ' ILE . 27.7 mm100 -62.11 -43.85 97.93 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.48 -179.696 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 57.9 m -59.46 -35.25 73.72 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.642 179.977 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 93' ' ' GLN . . . . . . . . . . . . . 15.8 mm100 -68.43 -51.73 40.49 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.867 -179.322 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 94' ' ' ILE . . . . . 0.433 ' O ' ' O ' ' A' ' 91' ' ' GLN . 20.3 tt -90.84 133.28 33.09 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 116.266 -0.425 . . . . 0.0 110.728 -179.591 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 95' ' ' GLN . . . . . . . . . . . . . 57.9 tt0 -138.26 154.2 49.06 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 116.24 -0.437 . . . . 0.0 110.429 179.806 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 96' ' ' VAL . . . . . 0.426 ' H ' HG22 ' A' ' 96' ' ' VAL . 13.0 m -77.53 142.42 14.23 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.352 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.644 -179.86 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 97' ' ' PHE . . . . . . . . . . . . . 55.6 p90 . . . . . 0 C--O 1.22 -0.453 0 CA-C-O 118.003 -0.999 . . . . 0.0 110.64 -179.841 . . . . . . . . 0 0 . 1 . 009 nuclear build full ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 60.5 tp . . . . . 0 N--CA 1.487 1.397 0 N-CA-C 109.342 -0.614 . . . . 0.0 109.342 . . . . . . . . . 0 0 . 1 . 009 nuclear build full ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 78.8 mtp85 -138.53 157.53 46.0 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.337 -0.392 . . . . 0.0 110.723 179.59 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 29' ' ' VAL . . . . . 0.451 ' O ' HG23 ' A' ' 29' ' ' VAL . 19.1 m -64.3 129.94 28.76 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-O 121.111 0.481 . . . . 0.0 110.32 179.874 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . 101.64 -14.55 57.68 Favored Glycine 0 CA--C 1.526 0.769 0 N-CA-C 110.875 -0.89 . . . . 0.0 110.875 -179.81 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 35.4 t -67.41 140.93 57.18 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-O 121.068 0.461 . . . . 0.0 110.559 179.942 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 99.9 mtt180 -101.38 124.89 47.79 Favored 'General case' 0 C--O 1.233 0.197 0 CA-C-O 121.03 0.443 . . . . 0.0 110.477 179.982 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 2.5 m -144.68 170.51 7.37 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.41 179.586 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 34' ' ' GLU . . . . . 0.422 ' O ' ' CG ' ' A' ' 34' ' ' GLU . 8.1 pt-20 -121.32 126.51 49.67 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.349 -0.387 . . . . 0.0 110.578 178.85 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 4.6 t -60.63 135.25 25.56 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.414 0 CA-C-N 116.295 -0.411 . . . . 0.0 110.315 179.939 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 96.6 mt -72.33 128.04 34.87 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.425 0 CA-C-N 116.143 -0.48 . . . . 0.0 111.035 -179.095 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 94.73 -42.25 2.44 Favored Glycine 0 C--N 1.33 0.237 0 N-CA-C 111.252 -0.739 . . . . 0.0 111.252 179.3 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 38' ' ' LYS . . . . . 0.406 ' O ' ' C ' ' A' ' 39' ' ' GLY . 97.3 mttt -154.67 -137.97 0.07 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.567 0.222 . . . . 0.0 110.718 179.822 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 39' ' ' GLY . . . . . 0.489 ' O ' ' O ' ' A' ' 40' ' ' HIS . . . 38.72 80.97 0.02 OUTLIER Glycine 0 CA--C 1.524 0.601 0 N-CA-C 111.11 -0.796 . . . . 0.0 111.11 179.66 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 40' ' ' HIS . . . . . 0.515 ' ND1' ' CE ' ' A' ' 66' ' ' LYS . 62.6 m80 -45.8 176.46 0.0 OUTLIER 'General case' 0 C--N 1.328 -0.347 0 CA-C-O 120.935 0.397 . . . . 0.0 110.39 -179.588 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 99.9 mtt180 -44.05 146.36 0.63 Allowed 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 116.266 -0.424 . . . . 0.0 110.767 -179.419 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -167.05 160.86 34.67 Favored Glycine 0 CA--C 1.52 0.394 0 N-CA-C 110.832 -0.907 . . . . 0.0 110.832 -179.901 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 5.2 m -113.36 133.34 55.2 Favored 'General case' 0 C--N 1.332 -0.178 0 CA-C-O 120.81 0.338 . . . . 0.0 110.612 -179.726 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 84.2 t -68.8 132.31 33.07 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.345 -179.72 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -123.59 -33.71 3.17 Favored 'General case' 0 CA--C 1.519 -0.223 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.784 -179.949 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 46' ' ' TYR . . . . . . . . . . . . . 87.5 t80 -132.64 123.41 26.33 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.322 -0.399 . . . . 0.0 110.739 -179.835 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 47' ' ' VAL . . . . . 0.41 ' O ' HG13 ' A' ' 47' ' ' VAL . 3.4 p -127.93 121.98 57.52 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.355 179.765 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 160.41 174.64 30.47 Favored Glycine 0 CA--C 1.524 0.599 0 N-CA-C 110.862 -0.895 . . . . 0.0 110.862 179.79 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -90.94 113.75 26.06 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-O 120.931 0.396 . . . . 0.0 110.474 179.664 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 50' ' ' THR . . . . . 0.494 ' O ' ' O ' ' A' ' 53' ' ' ALA . 60.8 p -76.07 143.66 41.2 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.633 -179.898 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 68.9 mt -70.85 -17.73 62.73 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.601 -179.792 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 52' ' ' PHE . . . . . . . . . . . . . 85.1 t80 -71.12 -23.39 62.08 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.605 -179.676 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 53' ' ' ALA . . . . . 0.494 ' O ' ' O ' ' A' ' 50' ' ' THR . . . -151.35 150.68 30.78 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-N 116.229 -0.442 . . . . 0.0 110.578 -179.941 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 54' ' ' THR . . . . . 0.407 ' O ' ' NE1' ' A' ' 57' ' ' TRP . 73.1 p -78.04 167.71 21.02 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.631 179.894 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . 86.41 -172.73 45.3 Favored Glycine 0 CA--C 1.521 0.438 0 N-CA-C 110.882 -0.887 . . . . 0.0 110.882 -179.898 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 88.8 tttt -103.82 118.09 35.87 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-O 121.028 0.442 . . . . 0.0 110.693 179.853 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 57' ' ' TRP . . . . . 0.407 ' NE1' ' O ' ' A' ' 54' ' ' THR . 63.0 m95 -112.08 142.81 44.06 Favored 'General case' 0 C--O 1.234 0.238 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.455 179.817 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 58' ' ' VAL . . . . . . . . . . . . . 54.7 t -126.91 122.69 60.99 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.153 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.673 179.863 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . -84.0 111.89 3.51 Favored Glycine 0 CA--C 1.521 0.442 0 N-CA-C 110.641 -0.984 . . . . 0.0 110.641 179.71 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 60' ' ' VAL . . . . . 0.481 ' C ' HD12 ' A' ' 61' ' ' ILE . 46.2 t -113.55 140.49 33.59 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-O 121.134 0.493 . . . . 0.0 110.917 -179.629 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 61' ' ' ILE . . . . . 0.671 HD12 ' N ' ' A' ' 61' ' ' ILE . 1.7 mp -98.12 111.82 28.75 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.317 0 CA-C-N 116.112 -0.495 . . . . 0.0 109.733 179.156 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 62' ' ' LEU . . . . . 1.059 HD22 ' H ' ' A' ' 62' ' ' LEU . 0.2 OUTLIER -80.65 141.33 35.04 Favored 'General case' 0 C--N 1.324 -0.531 0 CA-C-N 116.258 -0.428 . . . . 0.0 111.319 -179.497 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 32.4 t70 -64.65 -39.11 93.12 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.443 179.85 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 79.5 mm-40 -83.56 160.15 21.5 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.492 179.813 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -68.61 97.55 0.8 Allowed 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.784 -179.942 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 66' ' ' LYS . . . . . 0.515 ' CE ' ' ND1' ' A' ' 40' ' ' HIS . 67.2 mmtt -109.77 109.25 19.87 Favored 'General case' 0 N--CA 1.465 0.287 0 CA-C-O 121.154 0.502 . . . . 0.0 110.328 179.6 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . -44.03 110.12 0.32 Allowed Glycine 0 N--CA 1.452 -0.245 0 C-N-CA 120.674 -0.774 . . . . 0.0 111.943 -179.254 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 68' ' ' LYS . . . . . 0.43 ' H ' ' HA2' ' A' ' 84' ' ' GLY . 50.1 tptt -168.82 128.19 1.11 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.739 0.304 . . . . 0.0 110.274 179.821 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 69' ' ' ASN . . . . . . . . . . . . . 98.3 m-20 -89.54 121.62 31.92 Favored 'General case' 0 CA--C 1.516 -0.354 0 CA-C-N 116.254 -0.43 . . . . 0.0 111.118 179.826 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 70' ' ' ASP . . . . . 0.526 ' OD2' ' N ' ' A' ' 81' ' ' CYS . 8.0 t70 -122.69 104.32 9.24 Favored 'General case' 0 C--O 1.233 0.195 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.403 179.66 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . 175.05 -162.12 31.74 Favored Glycine 0 CA--C 1.524 0.651 0 N-CA-C 110.904 -0.878 . . . . 0.0 110.904 179.76 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 72' ' ' THR . . . . . 0.461 HG22 ' H ' ' A' ' 72' ' ' THR . 0.0 OUTLIER -55.29 121.84 9.78 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-O 121.024 0.44 . . . . 0.0 110.341 -179.861 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 73' ' ' VAL . . . . . 0.403 ' O ' HG13 ' A' ' 73' ' ' VAL . 8.5 p -127.94 134.03 66.08 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.191 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.689 -179.779 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 74' ' ' GLN . . . . . . . . . . . . . 87.1 mm-40 53.52 25.8 5.08 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.5 -179.873 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . 80.27 13.87 81.21 Favored Glycine 0 CA--C 1.52 0.353 0 N-CA-C 110.932 -0.867 . . . . 0.0 110.932 179.992 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 76' ' ' ARG . . . . . . . . . . . . . 62.7 ttm-85 -112.86 115.19 28.06 Favored 'General case' 0 C--O 1.233 0.212 0 CA-C-O 121.05 0.452 . . . . 0.0 110.32 -179.804 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 61.3 tttp -106.58 90.12 3.24 Favored 'General case' 0 C--O 1.234 0.242 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.677 179.827 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 78' ' ' TYR . . . . . . . . . . . . . 2.7 m-85 -107.98 -32.67 7.47 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.353 -0.385 . . . . 0.0 110.615 179.701 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 79' ' ' PHE . . . . . . . . . . . . . 35.5 p90 -149.15 148.51 29.73 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.667 -179.542 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 80' ' ' THR . . . . . . . . . . . . . 91.7 m -147.56 136.34 21.99 Favored 'General case' 0 CA--C 1.519 -0.223 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.55 179.928 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 81' ' ' CYS . . . . . 0.526 ' N ' ' OD2' ' A' ' 70' ' ' ASP . 32.5 t -147.1 174.47 11.53 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.434 179.76 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 82' ' ' ASP . . . . . 0.49 ' N ' ' SG ' ' A' ' 81' ' ' CYS . 93.2 m-20 -61.0 140.42 57.83 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.698 -180.0 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 85.4 tt0 -52.65 141.07 21.7 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.235 179.763 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 84' ' ' GLY . . . . . 0.458 ' C ' ' O ' ' A' ' 66' ' ' LYS . . . 85.85 21.49 52.95 Favored Glycine 0 CA--C 1.526 0.725 0 N-CA-C 110.542 -1.023 . . . . 0.0 110.542 -179.615 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 85' ' ' HIS . . . . . 0.435 ' CE1' ' O ' ' A' ' 62' ' ' LEU . 90.7 m-70 -148.11 168.69 21.76 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-O 120.831 0.348 . . . . 0.0 110.626 179.914 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 86' ' ' GLY . . . . . . . . . . . . . . . 91.22 37.91 6.12 Favored Glycine 0 CA--C 1.52 0.374 0 N-CA-C 111.205 -0.758 . . . . 0.0 111.205 179.678 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 87' ' ' ILE . . . . . . . . . . . . . 2.7 mm -68.24 136.17 27.0 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-O 120.905 0.383 . . . . 0.0 110.385 179.885 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 88' ' ' PHE . . . . . 0.527 ' CD1' ' O ' ' A' ' 88' ' ' PHE . 50.1 p90 -90.49 129.83 36.61 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.044 -0.525 . . . . 0.0 110.873 -179.945 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 89' ' ' VAL . . . . . . . . . . . . . 2.8 m -137.17 161.22 35.46 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.175 0 CA-C-N 116.123 -0.489 . . . . 0.0 110.571 179.908 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 90' ' ' ARG . . . . . . . . . . . . . 84.1 mtp180 -97.18 173.16 7.38 Favored 'General case' 0 C--N 1.331 -0.213 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.638 179.849 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 91' ' ' GLN . . . . . 0.441 ' O ' ' O ' ' A' ' 94' ' ' ILE . 25.9 mt-30 -64.63 -32.35 73.98 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.663 -179.872 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 71.1 m -60.78 -43.87 97.52 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.603 -179.866 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 93' ' ' GLN . . . . . . . . . . . . . 72.2 mm-40 -71.8 -41.45 68.25 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.565 -179.986 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 94' ' ' ILE . . . . . 0.441 ' O ' ' O ' ' A' ' 91' ' ' GLN . 4.7 mm -87.86 120.76 37.44 Favored 'Isoleucine or valine' 0 CA--C 1.518 -0.26 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.653 -179.935 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 95' ' ' GLN . . . . . . . . . . . . . 54.4 tt0 -130.42 127.59 39.61 Favored 'General case' 0 C--N 1.331 -0.207 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.574 -179.797 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 96' ' ' VAL . . . . . . . . . . . . . 23.1 m -74.07 133.45 31.58 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.619 -179.879 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 97' ' ' PHE . . . . . . . . . . . . . 91.3 m-85 . . . . . 0 C--O 1.218 -0.554 0 CA-C-O 118.049 -0.977 . . . . 0.0 110.546 179.972 . . . . . . . . 0 0 . 1 . 010 nuclear build full ' A' A ' 27' ' ' LEU . . . . . 0.477 HD13 ' N ' ' A' ' 28' ' ' ARG . 0.3 OUTLIER . . . . . 0 N--CA 1.486 1.364 0 N-CA-C 109.479 -0.563 . . . . 0.0 109.479 . . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 28' ' ' ARG . . . . . 0.477 ' N ' HD13 ' A' ' 27' ' ' LEU . 95.9 mtt-85 -136.28 151.71 49.94 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 115.957 -0.565 . . . . 0.0 110.773 179.544 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 35.8 m -65.96 134.53 29.69 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.393 0 CA-C-N 115.99 -0.55 . . . . 0.0 110.274 179.971 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . 95.31 -14.39 65.18 Favored Glycine 0 CA--C 1.524 0.632 0 N-CA-C 110.759 -0.937 . . . . 0.0 110.759 -179.791 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 46.7 t -67.31 141.24 57.24 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 120.705 0.288 . . . . 0.0 110.401 179.835 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 32' ' ' ARG . . . . . 0.452 HH12 ' NH1' ' A' ' 41' ' ' ARG . 69.1 ttp85 -106.64 123.62 48.39 Favored 'General case' 0 N--CA 1.464 0.253 0 CA-C-O 120.865 0.364 . . . . 0.0 110.444 179.85 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 2.8 m -145.86 165.74 9.67 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.232 0 CA-C-N 115.988 -0.551 . . . . 0.0 110.354 179.781 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 34' ' ' GLU . . . . . 0.435 ' O ' ' CG ' ' A' ' 34' ' ' GLU . 8.4 pt-20 -113.27 126.14 55.08 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.177 179.174 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 35' ' ' VAL . . . . . 0.403 ' O ' ' O ' ' A' ' 38' ' ' LYS . 15.0 t -65.23 133.81 30.18 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 N-CA-C 109.93 -0.396 . . . . 0.0 109.93 -179.975 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 25.4 mm -74.84 132.22 33.7 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.51 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.888 -179.243 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 93.31 -36.58 3.67 Favored Glycine 0 CA--C 1.525 0.674 0 N-CA-C 111.049 -0.82 . . . . 0.0 111.049 179.554 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 38' ' ' LYS . . . . . 0.403 ' O ' ' O ' ' A' ' 35' ' ' VAL . 59.9 pttt -161.28 -142.97 0.09 Allowed 'General case' 0 C--N 1.328 -0.352 0 N-CA-C 110.228 -0.286 . . . . 0.0 110.228 179.991 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 39' ' ' GLY . . . . . 0.463 ' O ' ' O ' ' A' ' 40' ' ' HIS . . . 37.65 78.39 0.05 OUTLIER Glycine 0 CA--C 1.524 0.631 0 N-CA-C 111.279 -0.729 . . . . 0.0 111.279 179.739 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 40' ' ' HIS . . . . . 0.567 ' CE1' ' HZ3' ' A' ' 66' ' ' LYS . 57.1 m170 -45.57 175.84 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.893 0.378 . . . . 0.0 110.6 -179.797 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 41' ' ' ARG . . . . . 0.452 ' NH1' HH12 ' A' ' 32' ' ' ARG . 90.9 mtt-85 -44.91 144.84 1.07 Allowed 'General case' 0 C--N 1.326 -0.418 0 CA-C-N 116.331 -0.395 . . . . 0.0 110.747 -179.675 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -167.83 170.84 42.06 Favored Glycine 0 CA--C 1.523 0.543 0 N-CA-C 110.764 -0.934 . . . . 0.0 110.764 -179.708 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 58.5 m -121.81 131.74 54.22 Favored 'General case' 0 N--CA 1.465 0.322 0 CA-C-O 120.921 0.391 . . . . 0.0 110.531 -179.69 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 90.4 t -68.5 132.58 32.76 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.251 0 CA-C-N 116.038 -0.528 . . . . 0.0 110.204 -179.723 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -124.8 -46.17 1.86 Allowed 'General case' 0 N--CA 1.463 0.188 0 CA-C-N 116.359 -0.382 . . . . 0.0 110.439 -179.768 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 46' ' ' TYR . . . . . . . . . . . . . 74.4 t80 -117.19 120.04 37.05 Favored 'General case' 0 N--CA 1.467 0.411 0 CA-C-N 116.385 -0.37 . . . . 0.0 110.285 179.875 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 47' ' ' VAL . . . . . . . . . . . . . 2.7 p -132.71 123.35 48.91 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.205 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.444 179.925 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 160.51 -179.78 35.8 Favored Glycine 0 CA--C 1.521 0.461 0 N-CA-C 110.682 -0.967 . . . . 0.0 110.682 179.439 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -99.56 112.81 24.97 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.808 0.337 . . . . 0.0 110.33 179.463 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 50' ' ' THR . . . . . 0.408 ' O ' ' O ' ' A' ' 53' ' ' ALA . 76.6 p -78.7 145.87 34.28 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.091 -0.504 . . . . 0.0 110.485 179.85 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 51' ' ' LEU . . . . . 0.564 HD22 ' N ' ' A' ' 51' ' ' LEU . 3.9 mm? -67.23 -15.09 63.49 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.471 -179.885 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 52' ' ' PHE . . . . . . . . . . . . . 80.8 t80 -69.93 -29.46 66.63 Favored 'General case' 0 C--N 1.325 -0.496 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.404 -180.0 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 53' ' ' ALA . . . . . 0.408 ' O ' ' O ' ' A' ' 50' ' ' THR . . . -151.48 145.79 25.45 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-O 120.851 0.358 . . . . 0.0 110.419 179.759 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 54' ' ' THR . . . . . 0.489 HG22 ' N ' ' A' ' 55' ' ' GLY . 32.5 m -80.63 160.53 25.04 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.364 -179.889 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 55' ' ' GLY . . . . . 0.489 ' N ' HG22 ' A' ' 54' ' ' THR . . . 106.5 -138.58 14.47 Favored Glycine 0 N--CA 1.463 0.461 0 N-CA-C 110.604 -0.998 . . . . 0.0 110.604 179.939 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 88.6 tttt -136.56 119.02 15.8 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.785 0.326 . . . . 0.0 110.388 -179.946 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 57' ' ' TRP . . . . . . . . . . . . . 20.5 m95 -112.86 132.42 55.3 Favored 'General case' 0 N--CA 1.464 0.241 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.124 179.708 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 58' ' ' VAL . . . . . . . . . . . . . 59.0 t -124.95 125.54 69.78 Favored 'Isoleucine or valine' 0 N--CA 1.462 0.154 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.447 179.888 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . -98.23 113.17 4.65 Favored Glycine 0 CA--C 1.52 0.399 0 N-CA-C 110.093 -1.203 . . . . 0.0 110.093 179.569 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 60' ' ' VAL . . . . . . . . . . . . . 20.5 t -111.12 130.91 63.73 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.282 0 CA-C-O 121.107 0.479 . . . . 0.0 110.697 -179.523 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 61' ' ' ILE . . . . . 0.669 HD12 ' N ' ' A' ' 61' ' ' ILE . 1.6 mp -85.03 103.46 12.21 Favored 'Isoleucine or valine' 0 CA--C 1.517 -0.292 0 CA-C-N 115.927 -0.578 . . . . 0.0 109.528 179.157 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 62' ' ' LEU . . . . . 0.665 HD12 ' CB ' ' A' ' 66' ' ' LYS . 7.8 mt -75.08 144.78 42.77 Favored 'General case' 0 C--N 1.321 -0.651 0 CA-C-N 115.978 -0.555 . . . . 0.0 111.043 -179.323 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 63' ' ' ASP . . . . . 0.454 ' OD1' ' N ' ' A' ' 63' ' ' ASP . 29.9 p-10 -74.73 -40.86 61.03 Favored 'General case' 0 C--N 1.325 -0.493 0 CA-C-N 116.06 -0.518 . . . . 0.0 110.804 179.384 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 64' ' ' GLU . . . . . 0.431 ' N ' ' OD1' ' A' ' 63' ' ' ASP . 41.5 tp10 -79.18 149.45 31.96 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.23 179.994 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -59.23 95.87 0.03 OUTLIER 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.38 -0.373 . . . . 0.0 110.787 179.967 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 66' ' ' LYS . . . . . 0.665 ' CB ' HD12 ' A' ' 62' ' ' LEU . 18.3 tptt -109.57 112.06 23.93 Favored 'General case' 0 N--CA 1.461 0.079 0 CA-C-O 121.538 0.685 . . . . 0.0 109.887 179.885 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . -45.44 105.41 0.09 OUTLIER Glycine 0 N--CA 1.445 -0.709 0 C-N-CA 120.436 -0.887 . . . . 0.0 111.945 -179.342 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 52.7 tptt -165.49 133.16 2.99 Favored 'General case' 0 C--N 1.323 -0.556 0 CA-C-N 115.388 -0.406 . . . . 0.0 110.509 179.14 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 69' ' ' ASN . . . . . . . . . . . . . 31.3 p-10 -100.48 123.61 44.93 Favored 'General case' 0 N--CA 1.464 0.253 0 CA-C-N 116.324 -0.398 . . . . 0.0 110.821 179.215 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 -121.88 103.15 8.64 Favored 'General case' 0 N--CA 1.469 0.475 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.3 179.425 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . -176.79 -150.4 8.26 Favored Glycine 0 CA--C 1.524 0.603 0 N-CA-C 110.964 -0.854 . . . . 0.0 110.964 179.684 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 72' ' ' THR . . . . . . . . . . . . . 1.7 p -77.06 125.13 28.82 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-O 120.853 0.358 . . . . 0.0 110.412 -179.679 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 73' ' ' VAL . . . . . . . . . . . . . 16.3 m -143.18 147.64 20.22 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.456 179.917 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 74' ' ' GLN . . . . . . . . . . . . . 98.9 mm-40 56.13 19.51 3.84 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.609 179.996 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . 77.03 16.88 80.36 Favored Glycine 0 CA--C 1.523 0.584 0 N-CA-C 111.026 -0.83 . . . . 0.0 111.026 179.64 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 76' ' ' ARG . . . . . . . . . . . . . 96.5 mtt-85 -128.72 134.44 48.46 Favored 'General case' 0 N--CA 1.464 0.271 0 CA-C-O 120.913 0.387 . . . . 0.0 110.054 -179.907 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 63.1 tttm -104.27 104.08 13.93 Favored 'General case' 0 C--N 1.331 -0.203 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.495 179.9 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 78' ' ' TYR . . . . . . . . . . . . . 88.1 m-85 -90.82 -52.02 5.07 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.515 179.503 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 79' ' ' PHE . . . . . . . . . . . . . 3.2 p90 -156.76 161.97 39.77 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.338 -179.976 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 80' ' ' THR . . . . . . . . . . . . . 92.9 m -127.86 129.12 46.4 Favored 'General case' 0 N--CA 1.466 0.342 0 CA-C-N 116.085 -0.507 . . . . 0.0 110.678 179.978 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 81' ' ' CYS . . . . . . . . . . . . . 10.3 m -154.09 154.99 34.61 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.005 -0.543 . . . . 0.0 110.142 179.674 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 82' ' ' ASP . . . . . . . . . . . . . 90.9 m-20 -56.2 138.18 50.58 Favored 'General case' 0 C--O 1.237 0.403 0 CA-C-O 121.296 0.569 . . . . 0.0 110.399 -179.861 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 82.1 tt0 -57.9 131.37 50.2 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 115.845 -0.616 . . . . 0.0 109.926 -179.776 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 84' ' ' GLY . . . . . 0.463 ' O ' ' O ' ' A' ' 66' ' ' LYS . . . 115.46 -8.69 20.07 Favored Glycine 0 CA--C 1.523 0.548 0 N-CA-C 110.549 -1.02 . . . . 0.0 110.549 -179.753 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 85' ' ' HIS . . . . . 0.543 ' ND1' ' O ' ' A' ' 62' ' ' LEU . 14.2 m-70 -139.81 168.28 20.19 Favored 'General case' 0 N--CA 1.463 0.224 0 CA-C-O 120.707 0.289 . . . . 0.0 110.472 -179.966 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 86' ' ' GLY . . . . . . . . . . . . . . . 95.9 44.23 3.14 Favored Glycine 0 CA--C 1.522 0.523 0 N-CA-C 111.019 -0.833 . . . . 0.0 111.019 179.786 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 87' ' ' ILE . . . . . . . . . . . . . 7.2 tp -73.18 145.44 11.74 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.421 0 CA-C-O 120.745 0.307 . . . . 0.0 110.609 -179.855 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 88' ' ' PHE . . . . . 0.538 ' O ' ' CD2' ' A' ' 88' ' ' PHE . 52.3 p90 -92.83 121.3 34.07 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-O 120.907 0.384 . . . . 0.0 110.178 179.566 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 89' ' ' VAL . . . . . . . . . . . . . 11.9 m -138.3 167.26 21.95 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.085 -0.507 . . . . 0.0 110.404 -179.775 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 90' ' ' ARG . . . . . . . . . . . . . 86.7 mtm-85 -112.74 179.1 4.07 Favored 'General case' 0 N--CA 1.465 0.301 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.28 -179.854 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 91' ' ' GLN . . . . . 0.448 ' O ' ' O ' ' A' ' 94' ' ' ILE . 31.9 mt-30 -66.26 -32.34 73.7 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.048 -0.524 . . . . 0.0 110.497 179.792 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 10.7 t -61.56 -42.21 98.5 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.6 179.866 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 93' ' ' GLN . . . . . . . . . . . . . 7.8 mm100 -69.39 -38.39 77.95 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.518 -179.701 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 94' ' ' ILE . . . . . 0.448 ' O ' ' O ' ' A' ' 91' ' ' GLN . 96.4 mt -91.61 120.96 41.59 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.498 179.721 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 95' ' ' GLN . . . . . . . . . . . . . 98.8 mm-40 -107.83 114.95 29.27 Favored 'General case' 0 N--CA 1.465 0.288 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.131 179.406 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 96' ' ' VAL . . . . . . . . . . . . . 86.2 t -70.93 133.17 32.33 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 115.862 -0.608 . . . . 0.0 110.204 -179.846 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 97' ' ' PHE . . . . . . . . . . . . . 92.7 t80 . . . . . 0 C--O 1.219 -0.517 0 CA-C-O 118.141 -0.933 . . . . 0.0 110.453 179.856 . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 84.3 mtp180 . . . . . 0 N--CA 1.464 0.259 0 CA-C-O 121.107 0.479 . . . . 0.0 110.673 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 7.5 p -66.41 134.13 30.32 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.382 0 CA-C-N 116.048 -0.524 . . . . 0.0 110.166 -179.97 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . 103.5 -17.77 49.66 Favored Glycine 0 CA--C 1.526 0.724 0 N-CA-C 110.747 -0.941 . . . . 0.0 110.747 -179.748 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 26.7 p -72.31 154.32 41.02 Favored 'General case' 0 C--N 1.329 -0.283 0 N-CA-C 110.179 -0.304 . . . . 0.0 110.179 179.895 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 76.0 ttt180 -112.83 123.76 51.05 Favored 'General case' 0 N--CA 1.464 0.271 0 CA-C-O 120.9 0.381 . . . . 0.0 110.483 179.876 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 2.9 m -143.97 167.55 12.21 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 115.954 -0.566 . . . . 0.0 110.264 -179.855 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 84.6 tt0 -108.79 120.5 42.68 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.023 179.041 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 47.0 t -62.74 143.43 15.47 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.181 -179.99 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 19.2 mm -81.33 130.76 35.3 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.441 0 CA-C-N 116.105 -0.498 . . . . 0.0 111.08 -179.302 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 92.82 -38.04 3.26 Favored Glycine 0 CA--C 1.523 0.555 0 N-CA-C 111.122 -0.791 . . . . 0.0 111.122 179.628 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 38' ' ' LYS . . . . . 0.403 ' HG2' ' H ' ' A' ' 39' ' ' GLY . 44.1 tttm -161.83 -136.23 0.03 OUTLIER 'General case' 0 C--N 1.327 -0.381 0 C-N-CA 120.965 -0.294 . . . . 0.0 110.353 179.813 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 39' ' ' GLY . . . . . 0.465 ' O ' ' O ' ' A' ' 40' ' ' HIS . . . 37.77 77.67 0.06 OUTLIER Glycine 0 CA--C 1.523 0.592 0 N-CA-C 111.221 -0.752 . . . . 0.0 111.221 179.852 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 40' ' ' HIS . . . . . 0.539 ' CG ' ' H ' ' A' ' 41' ' ' ARG . 32.2 t-80 -45.59 175.56 0.0 OUTLIER 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 120.888 0.375 . . . . 0.0 110.5 -179.685 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 41' ' ' ARG . . . . . 0.539 ' H ' ' CG ' ' A' ' 40' ' ' HIS . 84.4 mtp180 -46.15 140.5 3.89 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.677 -179.74 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -165.92 168.9 39.95 Favored Glycine 0 CA--C 1.522 0.513 0 N-CA-C 110.69 -0.964 . . . . 0.0 110.69 179.981 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 89.9 m -119.34 131.44 55.71 Favored 'General case' 0 N--CA 1.466 0.331 0 CA-C-O 120.902 0.382 . . . . 0.0 110.623 -179.808 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 95.8 t -65.97 129.92 30.77 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.02 -0.536 . . . . 0.0 109.826 -179.925 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 45' ' ' ALA . . . . . 0.498 ' HB2' HD13 ' A' ' 61' ' ' ILE . . . -112.19 -41.77 3.87 Favored 'General case' 0 N--CA 1.465 0.292 0 CA-C-N 116.288 -0.415 . . . . 0.0 110.707 -179.747 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 46' ' ' TYR . . . . . . . . . . . . . 88.4 t80 -136.8 129.78 30.89 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.394 -0.366 . . . . 0.0 110.797 -179.786 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 47' ' ' VAL . . . . . . . . . . . . . 1.6 p -129.64 124.92 60.32 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.234 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.442 179.669 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 160.96 -168.4 36.29 Favored Glycine 0 CA--C 1.519 0.333 0 N-CA-C 110.566 -1.014 . . . . 0.0 110.566 179.48 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -114.3 114.17 25.57 Favored 'General case' 0 N--CA 1.464 0.235 0 CA-C-O 120.872 0.368 . . . . 0.0 110.211 179.575 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 50' ' ' THR . . . . . 0.464 ' O ' ' O ' ' A' ' 53' ' ' ALA . 45.4 p -82.25 146.06 29.68 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.52 -179.956 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 63.4 mt -66.24 -22.0 66.31 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.55 179.962 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 52' ' ' PHE . . . . . . . . . . . . . 68.7 t80 -69.09 -28.67 66.71 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-N 116.136 -0.483 . . . . 0.0 110.723 -179.652 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 53' ' ' ALA . . . . . 0.464 ' O ' ' O ' ' A' ' 50' ' ' THR . . . -137.15 139.26 41.04 Favored 'General case' 0 N--CA 1.465 0.278 0 CA-C-O 120.96 0.409 . . . . 0.0 110.559 179.946 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 54' ' ' THR . . . . . 0.551 HG22 ' N ' ' A' ' 55' ' ' GLY . 43.3 m -79.36 161.1 26.42 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.661 -179.745 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 55' ' ' GLY . . . . . 0.551 ' N ' HG22 ' A' ' 54' ' ' THR . . . 86.35 -161.2 33.88 Favored Glycine 0 CA--C 1.52 0.374 0 N-CA-C 110.629 -0.988 . . . . 0.0 110.629 179.909 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 64.9 tttp -110.16 135.55 50.77 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-O 120.719 0.295 . . . . 0.0 110.427 179.882 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 57' ' ' TRP . . . . . . . . . . . . . 92.6 m95 -138.08 142.48 40.26 Favored 'General case' 0 C--O 1.234 0.277 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.177 179.998 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 58' ' ' VAL . . . . . . . . . . . . . 55.4 t -124.95 128.97 73.5 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.227 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.514 -179.943 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . -90.86 119.13 5.55 Favored Glycine 0 N--CA 1.459 0.213 0 N-CA-C 109.967 -1.253 . . . . 0.0 109.967 179.381 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 60' ' ' VAL . . . . . 0.453 ' C ' HD12 ' A' ' 61' ' ' ILE . 39.9 t -119.73 139.13 48.07 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.234 0 CA-C-O 121.103 0.478 . . . . 0.0 110.778 -179.345 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 61' ' ' ILE . . . . . 0.599 HD12 ' N ' ' A' ' 61' ' ' ILE . 1.7 mp -99.49 110.08 25.91 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.236 0 N-CA-C 108.943 -0.762 . . . . 0.0 108.943 178.92 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 62' ' ' LEU . . . . . 0.997 HD22 ' H ' ' A' ' 62' ' ' LEU . 0.4 OUTLIER -76.11 145.31 40.1 Favored 'General case' 0 C--N 1.322 -0.598 0 CA-C-N 115.62 -0.718 . . . . 0.0 111.244 -179.621 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 58.6 t0 -64.31 -36.49 84.27 Favored 'General case' 0 N--CA 1.449 -0.498 0 CA-C-N 115.729 -0.669 . . . . 0.0 110.303 179.879 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 97.9 mt-10 -91.47 177.59 6.19 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 115.994 -0.548 . . . . 0.0 110.374 179.871 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -79.73 100.24 7.81 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.827 -179.744 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 66' ' ' LYS . . . . . 0.458 ' O ' ' O ' ' A' ' 84' ' ' GLY . 13.7 tptt -103.26 107.29 18.06 Favored 'General case' 0 N--CA 1.466 0.365 0 N-CA-C 109.662 -0.496 . . . . 0.0 109.662 179.972 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . -42.76 103.21 0.04 OUTLIER Glycine 0 C--N 1.315 -0.595 0 C-N-CA 120.449 -0.881 . . . . 0.0 112.114 -179.252 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 29.0 tptp -166.14 134.71 3.01 Favored 'General case' 0 N--CA 1.449 -0.493 0 CA-C-N 115.041 -0.579 . . . . 0.0 110.889 179.185 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 69' ' ' ASN . . . . . . . . . . . . . 58.9 t30 -91.1 119.19 31.04 Favored 'General case' 0 C--O 1.232 0.168 0 CA-C-N 116.298 -0.41 . . . . 0.0 110.4 179.013 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 70' ' ' ASP . . . . . 0.551 ' OD2' ' N ' ' A' ' 81' ' ' CYS . 10.7 t70 -122.01 103.77 9.05 Favored 'General case' 0 N--CA 1.465 0.293 0 CA-C-N 116.408 -0.36 . . . . 0.0 110.549 179.755 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . 175.33 -154.12 17.11 Favored Glycine 0 CA--C 1.523 0.573 0 N-CA-C 110.897 -0.881 . . . . 0.0 110.897 179.887 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 72' ' ' THR . . . . . 0.427 ' H ' HG22 ' A' ' 72' ' ' THR . 0.0 OUTLIER -52.49 111.48 0.65 Allowed 'General case' 0 C--N 1.33 -0.265 0 CA-C-O 120.784 0.326 . . . . 0.0 110.228 -179.978 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 73' ' ' VAL . . . . . . . . . . . . . 13.7 p -121.14 134.3 64.97 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.237 0 CA-C-N 116.294 -0.412 . . . . 0.0 110.539 -179.795 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 74' ' ' GLN . . . . . . . . . . . . . 84.3 mm-40 55.76 19.38 3.4 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 115.974 -0.557 . . . . 0.0 110.804 -179.658 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . 85.38 0.48 88.35 Favored Glycine 0 CA--C 1.523 0.568 0 N-CA-C 111.167 -0.773 . . . . 0.0 111.167 179.753 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 76' ' ' ARG . . . . . . . . . . . . . 93.4 mtm-85 -105.64 123.13 47.41 Favored 'General case' 0 N--CA 1.463 0.203 0 CA-C-O 120.767 0.317 . . . . 0.0 110.274 179.707 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 65.1 tttm -105.29 90.3 3.38 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.253 -0.431 . . . . 0.0 110.131 179.731 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 78' ' ' TYR . . . . . . . . . . . . . 31.2 t80 -107.5 -27.4 10.43 Favored 'General case' 0 N--CA 1.465 0.307 0 CA-C-N 116.309 -0.405 . . . . 0.0 110.413 -179.905 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 79' ' ' PHE . . . . . . . . . . . . . 38.7 p90 -148.38 154.29 39.74 Favored 'General case' 0 C--N 1.331 -0.198 0 CA-C-N 116.333 -0.394 . . . . 0.0 110.646 -179.927 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 80' ' ' THR . . . . . . . . . . . . . 71.0 m -153.71 133.44 13.02 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.625 -179.916 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 81' ' ' CYS . . . . . 0.551 ' N ' ' OD2' ' A' ' 70' ' ' ASP . 8.8 t -142.41 178.21 7.74 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.341 -0.39 . . . . 0.0 110.31 -179.966 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 82' ' ' ASP . . . . . 0.511 ' O ' ' ND1' ' A' ' 85' ' ' HIS . 90.2 m-20 -66.99 142.55 57.2 Favored 'General case' 0 C--N 1.324 -0.529 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.594 -179.796 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 95.9 mt-10 -54.39 120.67 6.91 Favored 'General case' 0 CA--C 1.516 -0.357 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.13 179.945 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 84' ' ' GLY . . . . . 0.458 ' O ' ' O ' ' A' ' 66' ' ' LYS . . . 106.21 14.48 20.38 Favored Glycine 0 CA--C 1.526 0.764 0 N-CA-C 110.738 -0.945 . . . . 0.0 110.738 179.979 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 85' ' ' HIS . . . . . 0.537 ' N ' ' ND1' ' A' ' 85' ' ' HIS . 0.9 OUTLIER -136.77 169.13 18.24 Favored 'General case' 0 N--CA 1.464 0.254 0 O-C-N 122.644 -0.327 . . . . 0.0 110.671 179.992 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 86' ' ' GLY . . . . . . . . . . . . . . . 84.35 45.69 6.09 Favored Glycine 0 C--N 1.336 0.542 0 N-CA-C 111.177 -0.769 . . . . 0.0 111.177 179.69 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 87' ' ' ILE . . . . . 0.661 HG22 HD21 ' A' ' 62' ' ' LEU . 18.4 tt -83.36 130.34 35.94 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.345 0 CA-C-O 120.88 0.371 . . . . 0.0 110.43 -179.973 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 88' ' ' PHE . . . . . 0.412 ' CD1' ' O ' ' A' ' 88' ' ' PHE . 50.8 p90 -78.28 136.45 37.75 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.045 -0.525 . . . . 0.0 110.899 -179.588 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 89' ' ' VAL . . . . . . . . . . . . . 27.0 m -142.98 158.24 17.93 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.258 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.377 179.604 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 90' ' ' ARG . . . . . . . . . . . . . 83.8 mtp180 -84.8 158.17 20.76 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.48 179.857 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 91' ' ' GLN . . . . . . . . . . . . . 52.9 tt0 -62.05 -41.17 97.84 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.428 -179.849 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 59.5 m -68.44 -33.24 73.84 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.751 179.948 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 93' ' ' GLN . . . . . . . . . . . . . 64.5 tp60 -68.17 -40.08 82.38 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.617 -179.259 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 94' ' ' ILE . . . . . 0.506 HG23 ' O ' ' A' ' 94' ' ' ILE . 20.2 tt -93.81 127.66 45.7 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.26 0 CA-C-N 116.44 -0.345 . . . . 0.0 110.264 179.863 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 95' ' ' GLN . . . . . . . . . . . . . 51.5 tt0 -97.28 131.54 43.89 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.31 179.951 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 96' ' ' VAL . . . . . . . . . . . . . 6.1 p -67.77 138.86 21.85 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.026 -0.534 . . . . 0.0 110.522 -179.854 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 97' ' ' PHE . . . . . . . . . . . . . 80.5 t80 . . . . . 0 C--O 1.22 -0.471 0 CA-C-O 118.118 -0.944 . . . . 0.0 110.554 -179.955 . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 87.4 mtm180 . . . . . 0 C--O 1.231 0.119 0 CA-C-O 120.821 0.344 . . . . 0.0 110.663 . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 30.7 m -66.96 132.61 32.2 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.5 -179.981 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . 94.74 -9.1 71.11 Favored Glycine 0 CA--C 1.524 0.611 0 N-CA-C 110.996 -0.842 . . . . 0.0 110.996 179.956 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 35.9 m -71.88 138.97 48.59 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-O 120.916 0.388 . . . . 0.0 110.465 -179.936 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 13.7 ptm180 -97.46 125.71 42.29 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.54 -179.878 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 2.5 m -138.55 167.66 20.9 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.529 179.817 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 84.5 tt0 -108.74 114.1 27.62 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.357 179.428 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 11.1 t -61.78 146.28 12.24 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.458 -179.898 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 93.2 mt -81.04 131.5 33.76 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.956 -179.071 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 91.95 -39.8 2.99 Favored Glycine 0 CA--C 1.522 0.477 0 N-CA-C 111.231 -0.748 . . . . 0.0 111.231 179.055 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 38' ' ' LYS . . . . . 0.402 ' O ' ' C ' ' A' ' 39' ' ' GLY . 29.0 ttmt -163.02 -132.8 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.947 0.403 . . . . 0.0 110.536 179.756 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 39' ' ' GLY . . . . . 0.436 ' O ' ' O ' ' A' ' 40' ' ' HIS . . . 38.42 75.76 0.09 OUTLIER Glycine 0 CA--C 1.526 0.723 0 N-CA-C 111.112 -0.795 . . . . 0.0 111.112 179.567 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 40' ' ' HIS . . . . . 0.436 ' O ' ' O ' ' A' ' 39' ' ' GLY . 12.3 m-70 -46.92 177.63 0.0 OUTLIER 'General case' 0 C--N 1.327 -0.385 0 CA-C-O 120.828 0.347 . . . . 0.0 110.478 179.819 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 96.2 mtt180 -44.68 139.47 2.9 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.628 -179.483 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -165.71 154.2 24.71 Favored Glycine 0 CA--C 1.523 0.537 0 N-CA-C 110.939 -0.865 . . . . 0.0 110.939 179.977 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 16.6 p -100.67 140.74 34.52 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-O 120.753 0.311 . . . . 0.0 110.551 179.767 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 96.3 t -75.06 130.62 36.01 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.319 179.726 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -123.44 -28.88 3.87 Favored 'General case' 0 C--N 1.331 -0.203 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.622 -179.923 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 46' ' ' TYR . . . . . . . . . . . . . 68.8 t80 -136.99 120.92 17.59 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.288 -0.415 . . . . 0.0 110.646 -179.936 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 47' ' ' VAL . . . . . . . . . . . . . 2.2 p -130.53 123.22 54.67 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.416 179.806 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 160.25 -165.89 35.02 Favored Glycine 0 CA--C 1.522 0.501 0 N-CA-C 110.859 -0.896 . . . . 0.0 110.859 -179.991 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -105.55 137.29 43.63 Favored 'General case' 0 C--N 1.332 -0.193 0 CA-C-O 120.867 0.365 . . . . 0.0 110.46 179.756 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 50' ' ' THR . . . . . 0.466 ' O ' ' O ' ' A' ' 53' ' ' ALA . 31.8 p -111.22 145.19 39.15 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.638 -179.925 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 51' ' ' LEU . . . . . 0.469 ' CD2' HH12 ' A' ' 76' ' ' ARG . 33.0 tp -65.67 -21.17 66.53 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.493 179.988 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 52' ' ' PHE . . . . . . . . . . . . . 90.8 t80 -67.83 -27.9 67.1 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.549 -179.035 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 53' ' ' ALA . . . . . 0.466 ' O ' ' O ' ' A' ' 50' ' ' THR . . . -151.37 145.03 24.99 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.299 -0.409 . . . . 0.0 110.644 -179.939 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 54' ' ' THR . . . . . . . . . . . . . 12.9 p -83.08 170.2 15.07 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.28 -0.418 . . . . 0.0 110.588 -179.992 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . 89.09 -155.0 24.92 Favored Glycine 0 CA--C 1.523 0.565 0 N-CA-C 110.794 -0.923 . . . . 0.0 110.794 -179.695 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 42.9 tptt -112.78 124.76 53.32 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-O 120.97 0.414 . . . . 0.0 110.445 179.895 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 57' ' ' TRP . . . . . . . . . . . . . 97.9 m95 -126.47 141.19 51.97 Favored 'General case' 0 C--O 1.234 0.261 0 CA-C-N 116.251 -0.432 . . . . 0.0 110.611 179.919 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 58' ' ' VAL . . . . . . . . . . . . . 75.1 t -128.62 130.37 68.89 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.242 0 CA-C-N 116.305 -0.407 . . . . 0.0 110.558 179.979 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . -90.85 109.94 3.75 Favored Glycine 0 CA--C 1.525 0.717 0 N-CA-C 110.479 -1.049 . . . . 0.0 110.479 179.28 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 60' ' ' VAL . . . . . . . . . . . . . 11.0 t -105.98 134.52 47.29 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.248 0 CA-C-O 120.922 0.391 . . . . 0.0 110.952 -179.218 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 61' ' ' ILE . . . . . 0.413 ' N ' HD13 ' A' ' 61' ' ' ILE . 5.4 mm -91.6 94.26 4.75 Favored 'Isoleucine or valine' 0 N--CA 1.463 0.197 0 CA-C-N 116.173 -0.467 . . . . 0.0 109.992 179.457 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 62' ' ' LEU . . . . . 0.69 HD12 ' CB ' ' A' ' 66' ' ' LYS . 5.0 mt -68.38 135.48 51.85 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.083 -0.508 . . . . 0.0 110.71 -178.947 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 63.6 t0 -62.57 -40.94 98.47 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.424 179.866 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 64' ' ' GLU . . . . . 0.628 ' CD ' ' H ' ' A' ' 64' ' ' GLU . 0.9 OUTLIER -82.73 143.69 30.72 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.365 179.594 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -57.85 94.75 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.082 -0.508 . . . . 0.0 110.78 -179.628 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 66' ' ' LYS . . . . . 0.69 ' CB ' HD12 ' A' ' 62' ' ' LEU . 4.9 tptp -101.62 115.18 29.94 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 116.27 -0.423 . . . . 0.0 109.937 179.72 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . -44.29 105.51 0.08 OUTLIER Glycine 0 CA--C 1.519 0.296 0 C-N-CA 120.747 -0.74 . . . . 0.0 111.664 -178.483 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 6.1 tmtt? -171.54 129.52 0.68 Allowed 'General case' 0 C--N 1.331 -0.232 0 C-N-CA 121.064 -0.255 . . . . 0.0 110.508 179.639 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 69' ' ' ASN . . . . . . . . . . . . . 99.0 m-20 -85.11 120.54 26.72 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-O 120.988 0.423 . . . . 0.0 110.578 179.761 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 70' ' ' ASP . . . . . 0.499 ' OD1' ' N ' ' A' ' 81' ' ' CYS . 8.4 t70 -120.64 103.04 8.82 Favored 'General case' 0 C--N 1.332 -0.174 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.496 179.889 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . 179.71 -149.23 8.49 Favored Glycine 0 CA--C 1.526 0.721 0 N-CA-C 110.876 -0.89 . . . . 0.0 110.876 -179.757 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 72' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -63.53 125.88 25.68 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.806 0.336 . . . . 0.0 110.544 -179.636 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 73' ' ' VAL . . . . . . . . . . . . . 51.9 t -120.9 132.06 71.36 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.244 0 CA-C-N 116.297 -0.411 . . . . 0.0 110.407 -179.963 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 74' ' ' GLN . . . . . . . . . . . . . 97.3 mm-40 55.25 22.85 5.02 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.541 -179.905 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . 86.78 -0.41 86.48 Favored Glycine 0 CA--C 1.522 0.481 0 N-CA-C 110.956 -0.858 . . . . 0.0 110.956 179.9 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 76' ' ' ARG . . . . . 0.469 HH12 ' CD2' ' A' ' 51' ' ' LEU . 99.8 mtt180 -102.05 124.35 47.51 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-O 120.886 0.374 . . . . 0.0 110.503 -179.788 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 77.9 tttt -105.88 116.18 31.5 Favored 'General case' 0 C--N 1.331 -0.204 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.731 -179.813 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 78' ' ' TYR . . . . . . . . . . . . . 53.0 m-85 -122.3 -34.16 3.34 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.297 -0.411 . . . . 0.0 110.563 179.768 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 79' ' ' PHE . . . . . . . . . . . . . 8.2 p90 -154.1 152.73 30.78 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.586 179.956 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 80' ' ' THR . . . . . . . . . . . . . 91.9 m -136.73 132.84 35.39 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.771 -179.785 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 81' ' ' CYS . . . . . 0.499 ' N ' ' OD1' ' A' ' 70' ' ' ASP . 8.5 m -146.22 153.31 40.47 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.4 179.679 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 82' ' ' ASP . . . . . . . . . . . . . 96.9 m-20 -55.14 141.34 35.2 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.276 -0.42 . . . . 0.0 110.558 -179.535 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 97.5 mt-10 -52.32 139.32 24.62 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.524 179.875 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 84' ' ' GLY . . . . . 0.548 ' O ' ' N ' ' A' ' 66' ' ' LYS . . . 104.38 -14.05 51.13 Favored Glycine 0 CA--C 1.524 0.642 0 N-CA-C 110.866 -0.894 . . . . 0.0 110.866 -179.483 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 85' ' ' HIS . . . . . 0.754 ' ND1' ' N ' ' A' ' 85' ' ' HIS . 0.0 OUTLIER -124.68 166.66 15.74 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-O 120.841 0.353 . . . . 0.0 110.361 179.989 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 86' ' ' GLY . . . . . . . . . . . . . . . 84.53 69.21 1.37 Allowed Glycine 0 CA--C 1.52 0.384 0 N-CA-C 111.146 -0.782 . . . . 0.0 111.146 179.562 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 87' ' ' ILE . . . . . 0.501 HG21 HD11 ' A' ' 62' ' ' LEU . 12.5 tt -109.8 134.34 52.23 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-O 120.821 0.344 . . . . 0.0 110.562 179.939 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 88' ' ' PHE . . . . . . . . . . . . . 42.3 m-85 -80.55 134.45 35.93 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.52 -179.68 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 89' ' ' VAL . . . . . . . . . . . . . 35.6 m -135.88 158.88 39.46 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.202 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.445 179.997 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 90' ' ' ARG . . . . . . . . . . . . . 89.9 mtm180 -86.22 171.01 11.6 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.601 -179.958 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 91' ' ' GLN . . . . . . . . . . . . . 58.1 tt0 -64.14 -40.57 96.45 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.742 -179.758 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 78.1 p -68.77 -32.27 71.9 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.957 -179.595 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 93' ' ' GLN . . . . . . . . . . . . . 97.3 mt-30 -69.61 -43.13 73.37 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.062 -0.517 . . . . 0.0 110.955 -179.313 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 94' ' ' ILE . . . . . . . . . . . . . 20.5 tt -89.98 136.45 23.75 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.266 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.656 -179.819 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 95' ' ' GLN . . . . . . . . . . . . . 2.8 pt20 -135.84 155.48 50.26 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.518 179.725 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 96' ' ' VAL . . . . . 0.45 HG23 ' O ' ' A' ' 96' ' ' VAL . 26.5 m -85.03 128.44 38.99 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.411 179.871 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 97' ' ' PHE . . . . . . . . . . . . . 48.5 p90 . . . . . 0 C--O 1.22 -0.456 0 CA-C-O 117.909 -1.043 . . . . 0.0 110.633 -179.803 . . . . . . . . 0 0 . 1 . 003 nuclear nobuild core ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 99.6 mtt180 . . . . . 0 N--CA 1.464 0.261 0 CA-C-O 121.143 0.497 . . . . 0.0 110.861 . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild core ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 21.3 m -67.05 135.57 28.32 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.017 -0.538 . . . . 0.0 110.263 179.96 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . 91.55 -10.08 75.58 Favored Glycine 0 CA--C 1.526 0.719 0 N-CA-C 110.707 -0.957 . . . . 0.0 110.707 -179.767 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 13.4 p -74.8 154.77 38.16 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-O 120.769 0.319 . . . . 0.0 110.253 179.803 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 98.2 mtt180 -107.75 126.54 52.74 Favored 'General case' 0 N--CA 1.466 0.333 0 CA-C-N 116.378 -0.373 . . . . 0.0 110.308 -179.904 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 33' ' ' VAL . . . . . 0.424 HG23 ' N ' ' A' ' 34' ' ' GLU . 1.5 m -146.23 -172.78 0.39 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.051 -179.958 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 34' ' ' GLU . . . . . 0.424 ' N ' HG23 ' A' ' 33' ' ' VAL . 11.8 pt-20 -133.16 136.75 45.92 Favored 'General case' 0 N--CA 1.464 0.257 0 CA-C-N 116.039 -0.528 . . . . 0.0 110.258 179.24 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 35' ' ' VAL . . . . . 0.454 ' O ' ' O ' ' A' ' 38' ' ' LYS . 5.3 t -72.79 127.39 34.74 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.427 0 CA-C-O 121.41 0.624 . . . . 0.0 110.073 -179.763 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 95.8 mt -64.0 126.77 23.33 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.689 0 CA-C-N 115.963 -0.562 . . . . 0.0 111.013 -179.397 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 97.32 -36.91 3.66 Favored Glycine 0 CA--C 1.524 0.595 0 N-CA-C 111.252 -0.739 . . . . 0.0 111.252 179.439 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 38' ' ' LYS . . . . . 0.454 ' O ' ' O ' ' A' ' 35' ' ' VAL . 71.8 tttt -163.07 -135.33 0.03 OUTLIER 'General case' 0 C--N 1.331 -0.205 0 C-N-CA 120.664 -0.414 . . . . 0.0 110.267 179.919 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 39' ' ' GLY . . . . . 0.483 ' O ' ' O ' ' A' ' 40' ' ' HIS . . . 37.61 80.73 0.02 OUTLIER Glycine 0 CA--C 1.522 0.509 0 N-CA-C 111.082 -0.807 . . . . 0.0 111.082 179.577 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 40' ' ' HIS . . . . . 0.483 ' O ' ' O ' ' A' ' 39' ' ' GLY . 73.2 m80 -44.45 174.72 0.0 OUTLIER 'General case' 0 C--N 1.328 -0.352 0 CA-C-O 121.061 0.458 . . . . 0.0 110.643 -179.262 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 99.9 mtt180 -45.72 149.82 0.58 Allowed 'General case' 0 C--N 1.325 -0.471 0 CA-C-N 116.268 -0.424 . . . . 0.0 110.859 -179.246 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -168.25 176.19 42.77 Favored Glycine 0 CA--C 1.522 0.521 0 N-CA-C 110.857 -0.897 . . . . 0.0 110.857 -179.746 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 27.7 m -123.65 132.84 53.95 Favored 'General case' 0 N--CA 1.465 0.282 0 CA-C-O 120.853 0.358 . . . . 0.0 110.717 -179.427 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 95.5 t -72.34 132.47 33.34 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.073 -0.512 . . . . 0.0 110.071 179.996 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -127.78 -50.43 1.36 Allowed 'General case' 0 N--CA 1.465 0.285 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.753 -179.998 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 46' ' ' TYR . . . . . . . . . . . . . 70.3 t80 -111.86 127.66 55.9 Favored 'General case' 0 N--CA 1.465 0.316 0 CA-C-N 116.402 -0.363 . . . . 0.0 110.655 -179.819 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 47' ' ' VAL . . . . . 0.412 HG13 ' O ' ' A' ' 47' ' ' VAL . 4.7 p -132.79 123.53 49.02 Favored 'Isoleucine or valine' 0 N--CA 1.463 0.22 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.338 179.855 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 160.79 -166.99 35.72 Favored Glycine 0 CA--C 1.52 0.383 0 N-CA-C 110.633 -0.987 . . . . 0.0 110.633 179.644 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -112.15 119.19 37.55 Favored 'General case' 0 N--CA 1.463 0.218 0 CA-C-O 120.845 0.355 . . . . 0.0 110.485 179.692 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 12.1 p -92.14 152.07 20.08 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.353 179.731 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 51' ' ' LEU . . . . . 0.463 ' H ' HH22 ' A' ' 76' ' ' ARG . 74.7 mt -70.85 -13.53 62.07 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.388 -179.74 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 52' ' ' PHE . . . . . . . . . . . . . 69.9 t80 -70.56 -26.31 63.48 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.64 -179.879 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -151.43 148.32 27.95 Favored 'General case' 0 C--O 1.232 0.151 0 CA-C-N 116.391 -0.368 . . . . 0.0 110.362 -179.943 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 54' ' ' THR . . . . . . . . . . . . . 58.6 p -83.27 166.13 18.79 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.502 179.996 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . 87.25 -151.18 23.31 Favored Glycine 0 CA--C 1.523 0.532 0 N-CA-C 110.631 -0.988 . . . . 0.0 110.631 179.927 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 64.5 tttp -111.21 136.28 50.52 Favored 'General case' 0 C--N 1.331 -0.206 0 CA-C-O 120.825 0.345 . . . . 0.0 110.409 179.977 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 57' ' ' TRP . . . . . . . . . . . . . 91.3 m95 -135.96 135.62 39.71 Favored 'General case' 0 C--N 1.332 -0.164 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.079 179.972 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 58' ' ' VAL . . . . . . . . . . . . . 43.6 t -121.98 126.4 74.42 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.253 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.203 179.959 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . -86.24 107.79 3.21 Favored Glycine 0 CA--C 1.52 0.35 0 N-CA-C 110.166 -1.174 . . . . 0.0 110.166 179.773 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 60' ' ' VAL . . . . . . . . . . . . . 24.1 t -110.28 133.18 56.5 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.338 0 CA-C-O 121.105 0.479 . . . . 0.0 110.824 -179.397 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 61' ' ' ILE . . . . . 0.667 ' N ' HD12 ' A' ' 61' ' ' ILE . 1.6 mp -90.06 105.69 16.44 Favored 'Isoleucine or valine' 0 CA--C 1.516 -0.342 0 CA-C-N 115.972 -0.558 . . . . 0.0 109.563 179.333 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 62' ' ' LEU . . . . . 0.625 HD12 ' CB ' ' A' ' 66' ' ' LYS . 6.8 mt -76.68 146.86 37.82 Favored 'General case' 0 C--N 1.323 -0.562 0 CA-C-N 115.933 -0.576 . . . . 0.0 110.928 -179.215 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 45.0 t0 -71.58 -43.69 65.83 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.878 179.574 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 78.1 tt0 -79.09 151.93 31.12 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 116.28 -0.418 . . . . 0.0 110.367 -179.854 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -63.52 94.09 0.08 Allowed 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.721 -179.903 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 66' ' ' LYS . . . . . 0.625 ' CB ' HD12 ' A' ' 62' ' ' LEU . 5.5 tptp -103.74 112.97 26.15 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-O 121.53 0.681 . . . . 0.0 109.985 179.653 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . -45.61 104.7 0.07 OUTLIER Glycine 0 N--CA 1.445 -0.76 0 C-N-CA 120.421 -0.895 . . . . 0.0 112.405 -179.432 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 49.2 tptt -164.09 133.51 3.91 Favored 'General case' 0 C--N 1.323 -0.568 0 CA-C-N 115.341 -0.43 . . . . 0.0 110.804 178.815 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 69' ' ' ASN . . . . . . . . . . . . . 98.3 m-20 -82.65 120.63 25.8 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.514 179.035 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 70' ' ' ASP . . . . . 0.453 ' OD2' ' O ' ' A' ' 82' ' ' ASP . 27.8 p30 -121.73 108.11 13.14 Favored 'General case' 0 N--CA 1.467 0.385 0 CA-C-N 116.09 -0.504 . . . . 0.0 110.807 179.863 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . 175.55 -151.06 11.42 Favored Glycine 0 CA--C 1.521 0.468 0 N-CA-C 110.864 -0.894 . . . . 0.0 110.864 -179.979 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 72' ' ' THR . . . . . 0.456 ' O ' HG23 ' A' ' 72' ' ' THR . 4.3 t -67.74 121.48 16.03 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-O 120.758 0.313 . . . . 0.0 110.213 179.836 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 73' ' ' VAL . . . . . . . . . . . . . 85.9 t -120.12 131.8 71.49 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.325 0 CA-C-O 120.982 0.42 . . . . 0.0 110.396 179.883 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 74' ' ' GLN . . . . . . . . . . . . . 2.1 tp-100 57.44 21.33 6.83 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-N 115.935 -0.575 . . . . 0.0 110.409 -179.814 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . 82.03 7.8 87.39 Favored Glycine 0 CA--C 1.524 0.618 0 N-CA-C 110.951 -0.859 . . . . 0.0 110.951 -179.973 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 76' ' ' ARG . . . . . 0.463 HH22 ' H ' ' A' ' 51' ' ' LEU . 86.5 mtm180 -105.48 120.52 41.81 Favored 'General case' 0 N--CA 1.464 0.231 0 CA-C-O 120.787 0.327 . . . . 0.0 110.152 179.785 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 88.8 tttt -105.8 121.05 43.25 Favored 'General case' 0 C--N 1.331 -0.201 0 CA-C-N 116.253 -0.431 . . . . 0.0 110.233 179.789 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 78' ' ' TYR . . . . . . . . . . . . . 38.1 m-85 -122.52 -41.71 2.37 Favored 'General case' 0 N--CA 1.468 0.437 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.479 179.879 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 79' ' ' PHE . . . . . . . . . . . . . 54.3 p90 -154.46 158.17 39.53 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.378 -179.792 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 80' ' ' THR . . . . . . . . . . . . . 97.9 m -126.38 129.48 48.85 Favored 'General case' 0 N--CA 1.465 0.309 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.531 179.863 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 81' ' ' CYS . . . . . . . . . . . . . 9.0 t -140.16 159.78 41.42 Favored 'General case' 0 N--CA 1.463 0.221 0 CA-C-N 116.039 -0.528 . . . . 0.0 110.335 179.968 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 82' ' ' ASP . . . . . 0.453 ' O ' ' OD2' ' A' ' 70' ' ' ASP . 98.3 m-20 -68.32 137.28 54.52 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.624 -179.8 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 94.8 mt-10 -51.54 138.79 21.66 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.083 179.893 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 84' ' ' GLY . . . . . 0.53 ' O ' ' N ' ' A' ' 66' ' ' LYS . . . 113.48 -7.33 24.51 Favored Glycine 0 CA--C 1.524 0.648 0 N-CA-C 110.569 -1.012 . . . . 0.0 110.569 -179.799 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 85' ' ' HIS . . . . . 0.535 ' ND1' ' O ' ' A' ' 62' ' ' LEU . 10.6 m-70 -139.36 166.45 24.52 Favored 'General case' 0 C--N 1.33 -0.253 0 O-C-N 122.539 -0.389 . . . . 0.0 110.317 -179.811 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 86' ' ' GLY . . . . . . . . . . . . . . . 101.66 42.41 2.32 Favored Glycine 0 N--CA 1.464 0.502 0 N-CA-C 110.902 -0.879 . . . . 0.0 110.902 179.865 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 87' ' ' ILE . . . . . . . . . . . . . 3.3 tp -76.66 136.22 25.08 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.403 0 CA-C-O 120.721 0.295 . . . . 0.0 110.525 -179.861 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 88' ' ' PHE . . . . . . . . . . . . . 68.9 m-85 -88.91 119.86 29.81 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.992 0.425 . . . . 0.0 110.093 179.722 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 89' ' ' VAL . . . . . . . . . . . . . 16.5 m -132.64 164.55 34.8 Favored 'Isoleucine or valine' 0 N--CA 1.463 0.198 0 CA-C-N 115.877 -0.601 . . . . 0.0 110.381 -179.89 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 90' ' ' ARG . . . . . 0.402 ' H ' ' HG2' ' A' ' 90' ' ' ARG . 35.2 ptt180 -97.35 155.66 16.79 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 115.944 -0.571 . . . . 0.0 110.676 -179.846 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 91' ' ' GLN . . . . . . . . . . . . . 54.5 tt0 -58.6 -39.92 81.77 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.037 -0.529 . . . . 0.0 110.685 -179.313 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 95.9 p -55.11 -35.29 64.48 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 116.36 -0.382 . . . . 0.0 110.587 -179.86 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 93' ' ' GLN . . . . . . . . . . . . . 56.5 tt0 -78.48 -17.31 56.47 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.368 -0.378 . . . . 0.0 110.541 -179.945 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 94' ' ' ILE . . . . . . . . . . . . . 49.2 mm -100.34 130.74 49.1 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.331 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.515 179.878 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 95' ' ' GLN . . . . . . . . . . . . . 60.0 tt0 -138.1 119.57 14.89 Favored 'General case' 0 C--N 1.332 -0.191 0 CA-C-N 115.826 -0.624 . . . . 0.0 110.524 -179.883 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 96' ' ' VAL . . . . . . . . . . . . . 13.7 p -71.09 137.09 24.5 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.339 0 CA-C-N 116.051 -0.522 . . . . 0.0 110.278 179.897 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 97' ' ' PHE . . . . . . . . . . . . . 87.7 t80 . . . . . 0 C--O 1.219 -0.522 0 CA-C-O 117.971 -1.014 . . . . 0.0 110.429 -179.969 . . . . . . . . 0 0 . 1 . 004 nuclear nobuild core ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 60.5 ttp180 . . . . . 0 N--CA 1.454 -0.234 0 CA-C-O 120.821 0.344 . . . . 0.0 110.278 . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild core ' A' A ' 29' ' ' VAL . . . . . 0.435 ' O ' HG23 ' A' ' 29' ' ' VAL . 18.1 m -61.21 132.56 26.83 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.377 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.313 -179.635 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . 102.33 -26.59 23.68 Favored Glycine 0 CA--C 1.524 0.648 0 N-CA-C 110.884 -0.886 . . . . 0.0 110.884 -179.948 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 42.4 t -71.19 140.79 50.62 Favored 'General case' 0 C--O 1.237 0.419 0 CA-C-O 120.806 0.336 . . . . 0.0 110.539 179.885 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 47.1 ptt85 -114.08 125.55 54.1 Favored 'General case' 0 N--CA 1.465 0.31 0 CA-C-O 121.268 0.556 . . . . 0.0 110.584 -180.0 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 2.9 m -147.43 -170.01 0.23 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 115.869 -0.605 . . . . 0.0 110.103 -179.672 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 18.1 pt-20 -130.44 131.31 45.14 Favored 'General case' 0 N--CA 1.463 0.212 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.346 179.521 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 4.3 t -67.84 136.03 27.34 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 N-CA-C 109.809 -0.441 . . . . 0.0 109.809 179.831 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 95.2 mt -72.92 127.37 34.86 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.533 0 CA-C-N 116.058 -0.519 . . . . 0.0 111.051 -179.363 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 93.96 -39.33 2.94 Favored Glycine 0 CA--C 1.52 0.39 0 N-CA-C 111.28 -0.728 . . . . 0.0 111.28 179.32 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 96.5 mttt -154.31 -141.14 0.1 Allowed 'General case' 0 C--N 1.329 -0.29 0 N-CA-C 109.938 -0.393 . . . . 0.0 109.938 -179.579 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 39' ' ' GLY . . . . . 0.476 ' O ' ' O ' ' A' ' 40' ' ' HIS . . . 38.04 78.5 0.05 OUTLIER Glycine 0 CA--C 1.524 0.64 0 N-CA-C 111.538 -0.625 . . . . 0.0 111.538 -179.966 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 40' ' ' HIS . . . . . 0.569 ' CG ' ' NZ ' ' A' ' 66' ' ' LYS . 60.2 m170 -45.39 177.11 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 121.073 0.463 . . . . 0.0 110.655 179.873 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 41' ' ' ARG . . . . . 0.599 ' O ' HD13 ' A' ' 62' ' ' LEU . 99.8 mtt180 -48.71 142.02 6.62 Favored 'General case' 0 C--N 1.324 -0.529 0 CA-C-O 121.006 0.431 . . . . 0.0 110.838 -179.806 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -171.19 167.9 41.04 Favored Glycine 0 CA--C 1.526 0.723 0 N-CA-C 110.86 -0.896 . . . . 0.0 110.86 -179.922 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 95.7 m -117.89 134.18 55.19 Favored 'General case' 0 N--CA 1.467 0.407 0 CA-C-O 120.927 0.394 . . . . 0.0 110.553 -179.754 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 85.9 t -71.99 131.66 34.37 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.238 0 CA-C-N 115.904 -0.589 . . . . 0.0 110.203 -179.678 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -125.4 -47.65 1.72 Allowed 'General case' 0 N--CA 1.466 0.329 0 CA-C-N 116.351 -0.386 . . . . 0.0 110.59 -179.929 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 46' ' ' TYR . . . . . . . . . . . . . 74.2 t80 -115.56 120.77 40.57 Favored 'General case' 0 N--CA 1.465 0.317 0 CA-C-N 116.439 -0.346 . . . . 0.0 110.503 179.747 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 47' ' ' VAL . . . . . 0.558 ' O ' HG13 ' A' ' 47' ' ' VAL . 8.3 p -129.4 117.72 43.66 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.279 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.331 179.809 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 161.09 -176.44 37.67 Favored Glycine 0 CA--C 1.521 0.414 0 N-CA-C 110.63 -0.988 . . . . 0.0 110.63 179.863 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -97.39 146.79 24.84 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 120.688 0.28 . . . . 0.0 110.343 179.635 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 50' ' ' THR . . . . . 0.432 ' O ' ' O ' ' A' ' 53' ' ' ALA . 60.2 p -132.22 153.47 50.58 Favored 'General case' 0 N--CA 1.464 0.263 0 CA-C-O 120.947 0.403 . . . . 0.0 110.461 -179.888 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 59.5 mt -69.45 -18.64 63.74 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 115.953 -0.567 . . . . 0.0 110.426 -179.872 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 52' ' ' PHE . . . . . . . . . . . . . 84.7 t80 -69.35 -24.0 63.84 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.697 -179.623 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 53' ' ' ALA . . . . . 0.432 ' O ' ' O ' ' A' ' 50' ' ' THR . . . -147.9 142.61 26.68 Favored 'General case' 0 C--N 1.332 -0.175 0 CA-C-N 116.366 -0.379 . . . . 0.0 110.475 179.947 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 54' ' ' THR . . . . . . . . . . . . . 11.7 m -80.54 149.3 30.02 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.548 179.934 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . 86.38 -170.72 43.03 Favored Glycine 0 CA--C 1.521 0.442 0 N-CA-C 110.665 -0.974 . . . . 0.0 110.665 179.974 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 88.7 tttt -87.16 136.65 32.85 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 120.729 0.3 . . . . 0.0 110.486 179.786 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 57' ' ' TRP . . . . . . . . . . . . . 99.3 m95 -136.03 142.89 44.48 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.285 -0.416 . . . . 0.0 110.336 179.983 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 58' ' ' VAL . . . . . . . . . . . . . 19.4 t -125.39 127.8 72.13 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.37 0 CA-C-N 116.434 -0.348 . . . . 0.0 110.428 -179.708 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . -90.87 110.59 3.83 Favored Glycine 0 CA--C 1.518 0.259 0 N-CA-C 109.883 -1.287 . . . . 0.0 109.883 179.54 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 60' ' ' VAL . . . . . . . . . . . . . 40.8 t -109.76 135.18 49.52 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.314 0 CA-C-O 121.129 0.49 . . . . 0.0 110.651 -179.098 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 61' ' ' ILE . . . . . 0.622 HD12 ' N ' ' A' ' 61' ' ' ILE . 1.5 mp -90.55 107.24 18.25 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.249 0 CA-C-N 115.967 -0.561 . . . . 0.0 109.733 179.445 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 62' ' ' LEU . . . . . 0.599 HD13 ' O ' ' A' ' 41' ' ' ARG . 3.2 mm? -74.61 138.68 43.12 Favored 'General case' 0 C--N 1.32 -0.679 0 CA-C-N 115.858 -0.61 . . . . 0.0 111.03 -179.739 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 22.6 t0 -69.49 -37.98 77.47 Favored 'General case' 0 C--N 1.324 -0.511 0 CA-C-N 115.831 -0.622 . . . . 0.0 110.27 179.493 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 64' ' ' GLU . . . . . 0.491 ' OE1' ' N ' ' A' ' 64' ' ' GLU . 55.5 mp0 -88.86 170.65 10.54 Favored 'General case' 0 CA--C 1.521 -0.165 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.409 -179.96 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -70.23 96.24 1.08 Allowed 'General case' 0 C--N 1.326 -0.426 0 CA-C-N 116.413 -0.358 . . . . 0.0 110.899 -179.745 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 66' ' ' LYS . . . . . 0.569 ' NZ ' ' CG ' ' A' ' 40' ' ' HIS . 20.6 tptt -105.62 108.86 20.59 Favored 'General case' 0 C--N 1.332 -0.161 0 CA-C-O 121.186 0.517 . . . . 0.0 110.454 -179.937 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . -47.38 103.14 0.06 OUTLIER Glycine 0 C--N 1.316 -0.55 0 C-N-CA 120.677 -0.773 . . . . 0.0 112.323 -179.774 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 6.8 mmtt -171.38 132.99 0.8 Allowed 'General case' 0 C--N 1.328 -0.337 0 CA-C-O 120.855 0.359 . . . . 0.0 110.659 178.806 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 69' ' ' ASN . . . . . . . . . . . . . 64.2 t-20 -100.26 119.91 39.11 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.315 179.093 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 70' ' ' ASP . . . . . 0.472 ' OD2' ' CD1' ' A' ' 79' ' ' PHE . 2.8 t70 -121.14 102.6 8.42 Favored 'General case' 0 N--CA 1.466 0.363 0 CA-C-O 120.981 0.42 . . . . 0.0 110.284 179.66 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . -174.36 -149.01 6.85 Favored Glycine 0 CA--C 1.524 0.625 0 N-CA-C 110.959 -0.856 . . . . 0.0 110.959 179.939 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 72' ' ' THR . . . . . 0.427 HG22 ' H ' ' A' ' 72' ' ' THR . 0.0 OUTLIER -69.41 116.96 10.43 Favored 'General case' 0 C--N 1.329 -0.325 0 C-N-CA 120.979 -0.288 . . . . 0.0 110.381 179.955 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 73' ' ' VAL . . . . . . . . . . . . . 60.2 t -126.57 133.2 69.17 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.27 0 CA-C-O 121.126 0.489 . . . . 0.0 110.386 -179.898 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 74' ' ' GLN . . . . . 0.444 ' OE1' ' NH2' ' A' ' 76' ' ' ARG . 7.9 tt0 62.84 19.57 11.59 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-N 115.929 -0.578 . . . . 0.0 110.629 -179.997 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . 86.97 0.9 85.27 Favored Glycine 0 CA--C 1.525 0.682 0 N-CA-C 111.091 -0.803 . . . . 0.0 111.091 179.848 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 76' ' ' ARG . . . . . 0.444 ' NH2' ' OE1' ' A' ' 74' ' ' GLN . 94.3 mtm-85 -127.2 131.01 50.75 Favored 'General case' 0 N--CA 1.464 0.228 0 CA-C-O 120.921 0.391 . . . . 0.0 110.325 179.699 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 20.6 ptmt -106.18 131.6 53.24 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.028 -0.533 . . . . 0.0 110.605 179.907 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 78' ' ' TYR . . . . . . . . . . . . . 71.1 m-85 -113.94 -22.07 10.29 Favored 'General case' 0 N--CA 1.465 0.3 0 CA-C-N 116.31 -0.405 . . . . 0.0 110.157 179.773 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 79' ' ' PHE . . . . . 0.539 ' CZ ' ' CE1' ' A' ' 88' ' ' PHE . 0.1 OUTLIER -154.4 158.78 40.53 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.384 -179.835 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 80' ' ' THR . . . . . 0.618 HG23 ' O ' ' A' ' 80' ' ' THR . 12.1 t -128.29 119.29 24.82 Favored 'General case' 0 C--N 1.331 -0.213 0 CA-C-N 115.989 -0.551 . . . . 0.0 110.917 179.907 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 81' ' ' CYS . . . . . 0.428 ' SG ' ' O ' ' A' ' 80' ' ' THR . 6.2 m -159.85 141.85 13.14 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.031 179.104 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 82' ' ' ASP . . . . . . . . . . . . . 96.1 m-20 -59.37 143.15 50.4 Favored 'General case' 0 C--N 1.326 -0.445 0 CA-C-O 121.233 0.539 . . . . 0.0 110.662 -179.682 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 96.1 mt-10 -48.59 149.38 1.7 Allowed 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.014 -0.539 . . . . 0.0 110.089 179.767 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 84' ' ' GLY . . . . . 0.449 ' O ' ' N ' ' A' ' 66' ' ' LYS . . . 97.71 -11.49 64.6 Favored Glycine 0 CA--C 1.522 0.531 0 N-CA-C 110.442 -1.063 . . . . 0.0 110.442 -179.64 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 85' ' ' HIS . . . . . 0.558 ' CD2' ' O ' ' A' ' 62' ' ' LEU . 9.4 m80 -140.63 164.33 30.46 Favored 'General case' 0 N--CA 1.465 0.301 0 CA-C-O 120.592 0.234 . . . . 0.0 110.481 179.953 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 86' ' ' GLY . . . . . . . . . . . . . . . 91.03 64.41 1.19 Allowed Glycine 0 CA--C 1.52 0.373 0 N-CA-C 110.774 -0.93 . . . . 0.0 110.774 -179.905 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 87' ' ' ILE . . . . . . . . . . . . . 11.4 tt -102.79 138.49 26.87 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.241 0 CA-C-O 120.886 0.374 . . . . 0.0 110.525 -179.899 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 88' ' ' PHE . . . . . 0.539 ' CE1' ' CZ ' ' A' ' 79' ' ' PHE . 7.0 m-85 -84.16 124.26 30.96 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 115.995 -0.548 . . . . 0.0 110.377 -179.523 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 89' ' ' VAL . . . . . . . . . . . . . 17.6 m -132.84 158.27 43.23 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.227 0 CA-C-N 116.075 -0.511 . . . . 0.0 110.483 179.829 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 90' ' ' ARG . . . . . . . . . . . . . 94.9 mtt180 -86.13 162.45 18.38 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 115.96 -0.564 . . . . 0.0 110.312 -179.67 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 91' ' ' GLN . . . . . 0.42 ' O ' ' O ' ' A' ' 94' ' ' ILE . 56.3 tt0 -60.69 -38.67 85.77 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.45 -179.746 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 82.0 p -62.66 -35.2 78.89 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.709 -179.855 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 93' ' ' GLN . . . . . . . . . . . . . 87.7 mt-30 -69.37 -48.29 61.69 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.281 -0.418 . . . . 0.0 111.129 -179.47 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 94' ' ' ILE . . . . . 0.42 ' O ' ' O ' ' A' ' 91' ' ' GLN . 16.6 tt -91.99 134.82 29.02 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.387 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.696 -179.826 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 95' ' ' GLN . . . . . . . . . . . . . 47.2 tt0 -145.49 158.02 43.91 Favored 'General case' 0 C--N 1.331 -0.203 0 CA-C-N 116.286 -0.416 . . . . 0.0 110.196 179.946 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 96' ' ' VAL . . . . . 0.415 HG23 ' O ' ' A' ' 96' ' ' VAL . 24.0 m -106.2 132.53 53.1 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.235 0 CA-C-N 116.276 -0.42 . . . . 0.0 110.418 -179.931 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 97' ' ' PHE . . . . . . . . . . . . . 33.9 p90 . . . . . 0 C--O 1.219 -0.52 0 CA-C-O 117.968 -1.015 . . . . 0.0 110.39 179.932 . . . . . . . . 0 0 . 1 . 005 nuclear nobuild core ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 78.2 mtp85 . . . . . 0 C--O 1.231 0.124 0 CA-C-O 120.898 0.38 . . . . 0.0 110.553 . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild core ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 4.9 p -65.93 132.64 31.48 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.258 0 CA-C-O 121.087 0.47 . . . . 0.0 110.434 179.845 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . 99.85 -16.03 58.94 Favored Glycine 0 CA--C 1.524 0.652 0 N-CA-C 110.855 -0.898 . . . . 0.0 110.855 179.858 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 27.8 t -73.68 145.25 45.39 Favored 'General case' 0 C--O 1.236 0.385 0 CA-C-O 121.002 0.43 . . . . 0.0 110.481 179.874 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 35.2 ptt-85 -103.23 123.96 47.73 Favored 'General case' 0 C--N 1.332 -0.16 0 CA-C-O 121.252 0.549 . . . . 0.0 110.554 179.846 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 3.0 m -146.1 163.06 10.37 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.604 179.673 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 34' ' ' GLU . . . . . 0.402 ' O ' ' CG ' ' A' ' 34' ' ' GLU . 18.6 pt-20 -106.58 126.12 51.87 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.324 -0.398 . . . . 0.0 110.501 178.979 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 35' ' ' VAL . . . . . 0.429 ' O ' ' O ' ' A' ' 38' ' ' LYS . 5.1 t -64.23 129.49 28.16 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.348 0 CA-C-O 121.045 0.45 . . . . 0.0 110.377 -179.853 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 15.2 mm -66.1 124.9 22.17 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.407 0 CA-C-N 116.108 -0.496 . . . . 0.0 111.163 -179.3 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 98.92 -36.63 3.91 Favored Glycine 0 CA--C 1.523 0.56 0 N-CA-C 111.414 -0.674 . . . . 0.0 111.414 179.76 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 38' ' ' LYS . . . . . 0.445 ' HG2' ' H ' ' A' ' 39' ' ' GLY . 46.3 tttm -163.34 -135.1 0.03 OUTLIER 'General case' 0 C--N 1.328 -0.346 0 CA-C-O 121.068 0.461 . . . . 0.0 110.786 -179.814 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 39' ' ' GLY . . . . . 0.468 ' O ' ' O ' ' A' ' 40' ' ' HIS . . . 38.51 79.65 0.04 OUTLIER Glycine 0 CA--C 1.526 0.736 0 N-CA-C 110.812 -0.915 . . . . 0.0 110.812 179.662 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 40' ' ' HIS . . . . . 0.468 ' O ' ' O ' ' A' ' 39' ' ' GLY . 0.5 OUTLIER -45.92 175.03 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.882 0.372 . . . . 0.0 110.425 -179.346 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 41' ' ' ARG . . . . . 0.622 ' O ' HD13 ' A' ' 62' ' ' LEU . 85.2 mtp180 -46.12 138.33 5.34 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.661 -179.702 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -167.33 170.27 41.49 Favored Glycine 0 CA--C 1.52 0.389 0 N-CA-C 110.806 -0.917 . . . . 0.0 110.806 -179.911 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 67.7 m -117.69 131.8 56.58 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-O 120.807 0.337 . . . . 0.0 110.722 -179.79 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 44' ' ' VAL . . . . . 0.429 HG22 ' H ' ' A' ' 44' ' ' VAL . 2.5 m -70.42 114.14 7.64 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.238 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.468 -179.669 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 45' ' ' ALA . . . . . 0.425 ' HB2' HD13 ' A' ' 61' ' ' ILE . . . -90.03 -47.9 7.54 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.721 179.914 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 46' ' ' TYR . . . . . . . . . . . . . 88.1 t80 -144.23 132.94 22.37 Favored 'General case' 0 CA--C 1.519 -0.214 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.562 -179.698 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 47' ' ' VAL . . . . . . . . . . . . . 1.3 p -123.67 121.41 62.39 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.206 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.465 179.639 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 158.81 -159.33 30.18 Favored Glycine 0 CA--C 1.52 0.349 0 N-CA-C 110.658 -0.977 . . . . 0.0 110.658 179.441 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -116.62 152.59 33.9 Favored 'General case' 0 C--O 1.233 0.21 0 CA-C-O 120.966 0.412 . . . . 0.0 110.413 179.528 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 50' ' ' THR . . . . . 0.442 ' O ' ' O ' ' A' ' 53' ' ' ALA . 62.3 p -128.89 155.68 44.88 Favored 'General case' 0 C--N 1.333 -0.142 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.6 -179.877 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 64.7 mt -69.23 -19.24 63.94 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.524 -179.879 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 52' ' ' PHE . . . . . . . . . . . . . 71.7 t80 -70.81 -26.28 63.24 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.534 -179.684 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 53' ' ' ALA . . . . . 0.442 ' O ' ' O ' ' A' ' 50' ' ' THR . . . -145.36 141.61 28.64 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.443 -179.805 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 54' ' ' THR . . . . . . . . . . . . . 11.2 p -81.37 164.33 22.21 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.695 -179.785 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . 85.99 -151.01 24.46 Favored Glycine 0 CA--C 1.519 0.314 0 N-CA-C 110.915 -0.874 . . . . 0.0 110.915 179.824 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 87.4 tttt -133.58 131.9 40.22 Favored 'General case' 0 C--N 1.333 -0.152 0 CA-C-O 121.056 0.455 . . . . 0.0 110.33 179.849 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 57' ' ' TRP . . . . . . . . . . . . . 0.0 OUTLIER -141.59 159.34 42.41 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.485 179.836 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 58' ' ' VAL . . . . . . . . . . . . . 61.9 t -125.84 129.77 72.47 Favored 'Isoleucine or valine' 0 CA--C 1.521 -0.143 0 CA-C-N 116.02 -0.536 . . . . 0.0 110.931 179.586 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . -83.64 112.93 3.63 Favored Glycine 0 CA--C 1.521 0.422 0 N-CA-C 110.315 -1.114 . . . . 0.0 110.315 179.724 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 60' ' ' VAL . . . . . 0.472 ' C ' HD12 ' A' ' 61' ' ' ILE . 40.1 t -117.37 134.22 61.64 Favored 'Isoleucine or valine' 0 C--O 1.234 0.249 0 CA-C-O 121.353 0.597 . . . . 0.0 110.93 -179.376 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 61' ' ' ILE . . . . . 0.654 HD12 ' N ' ' A' ' 61' ' ' ILE . 1.6 mp -95.84 109.41 22.62 Favored 'Isoleucine or valine' 0 CA--C 1.531 0.22 0 CA-C-N 115.937 -0.574 . . . . 0.0 109.901 179.416 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 62' ' ' LEU . . . . . 0.622 HD13 ' O ' ' A' ' 41' ' ' ARG . 3.2 mm? -73.21 134.99 44.52 Favored 'General case' 0 C--N 1.325 -0.486 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.57 179.908 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 46.9 t0 -67.44 -37.5 83.08 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.072 -0.513 . . . . 0.0 110.328 179.684 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 80.6 mm-40 -88.4 167.8 13.18 Favored 'General case' 0 C--N 1.331 -0.207 0 CA-C-N 116.246 -0.433 . . . . 0.0 110.303 179.979 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -67.48 95.56 0.47 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.866 -179.935 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 66' ' ' LYS . . . . . 0.471 ' N ' ' O ' ' A' ' 84' ' ' GLY . 20.0 tptt -108.48 109.08 20.26 Favored 'General case' 0 CA--C 1.53 0.177 0 CA-C-N 116.335 -0.393 . . . . 0.0 110.123 179.746 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . -46.36 105.07 0.08 OUTLIER Glycine 0 N--CA 1.449 -0.485 0 C-N-CA 120.725 -0.75 . . . . 0.0 112.22 -179.705 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 68' ' ' LYS . . . . . 0.413 ' HG3' HD13 ' A' ' 87' ' ' ILE . 6.1 tmtt? -167.85 132.69 1.83 Allowed 'General case' 0 C--N 1.329 -0.302 0 C-N-CA 121.185 -0.206 . . . . 0.0 110.544 179.412 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 69' ' ' ASN . . . . . . . . . . . . . 32.3 m120 -89.26 120.64 30.8 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-O 120.949 0.404 . . . . 0.0 110.806 179.677 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 50.4 t0 -122.22 102.43 8.12 Favored 'General case' 0 C--O 1.232 0.181 0 CA-C-N 116.301 -0.409 . . . . 0.0 110.697 179.776 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . -177.55 -160.8 24.84 Favored Glycine 0 CA--C 1.524 0.629 0 N-CA-C 110.897 -0.881 . . . . 0.0 110.897 179.758 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 72' ' ' THR . . . . . 0.476 HG22 ' H ' ' A' ' 72' ' ' THR . 0.0 OUTLIER -67.28 126.72 30.13 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-O 121.008 0.432 . . . . 0.0 110.393 -179.916 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 73' ' ' VAL . . . . . . . . . . . . . 3.1 t -121.15 125.21 73.61 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.2 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.392 179.871 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 74' ' ' GLN . . . . . . . . . . . . . 45.7 tp60 53.44 29.23 8.58 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.48 179.897 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . 84.68 1.41 89.1 Favored Glycine 0 CA--C 1.521 0.438 0 N-CA-C 110.891 -0.884 . . . . 0.0 110.891 179.944 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 76' ' ' ARG . . . . . . . . . . . . . 6.4 mmp_? -95.29 114.06 25.8 Favored 'General case' 0 C--N 1.331 -0.207 0 CA-C-O 121.088 0.471 . . . . 0.0 110.364 -179.947 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 85.8 tttt -103.13 94.09 5.35 Favored 'General case' 0 CA--C 1.52 -0.203 0 CA-C-O 121.039 0.447 . . . . 0.0 110.516 -179.803 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 78' ' ' TYR . . . . . . . . . . . . . 48.4 m-85 -123.25 -23.65 4.84 Favored 'General case' 0 C--O 1.232 0.182 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.491 179.856 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 79' ' ' PHE . . . . . . . . . . . . . 67.9 m-85 -129.91 146.58 51.62 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-O 121.03 0.443 . . . . 0.0 110.284 -179.951 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 80' ' ' THR . . . . . 0.675 HG23 ' O ' ' A' ' 80' ' ' THR . 15.1 t -151.9 114.83 4.67 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.546 179.648 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 81' ' ' CYS . . . . . . . . . . . . . 6.5 t -160.39 155.9 25.28 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.454 179.725 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 82' ' ' ASP . . . . . . . . . . . . . 92.5 m-20 -61.26 139.5 58.14 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.266 -0.424 . . . . 0.0 110.727 179.912 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 98.1 mt-10 -48.58 133.98 16.16 Favored 'General case' 0 CA--C 1.519 -0.223 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.413 -179.891 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 84' ' ' GLY . . . . . 0.471 ' O ' ' N ' ' A' ' 66' ' ' LYS . . . 115.81 -3.05 21.33 Favored Glycine 0 CA--C 1.524 0.611 0 N-CA-C 110.654 -0.979 . . . . 0.0 110.654 -179.644 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 85' ' ' HIS . . . . . 0.505 ' ND1' ' O ' ' A' ' 62' ' ' LEU . 6.7 m-70 -145.04 166.99 23.74 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-O 120.919 0.39 . . . . 0.0 110.352 179.775 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 86' ' ' GLY . . . . . . . . . . . . . . . 108.62 43.61 1.22 Allowed Glycine 0 CA--C 1.524 0.615 0 N-CA-C 110.978 -0.849 . . . . 0.0 110.978 179.93 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 87' ' ' ILE . . . . . 0.413 HD13 ' HG3' ' A' ' 68' ' ' LYS . 3.7 mm -80.02 142.3 14.12 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.406 0 CA-C-O 121.026 0.441 . . . . 0.0 110.509 179.548 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 88' ' ' PHE . . . . . . . . . . . . . 88.3 m-85 -101.29 118.53 37.15 Favored 'General case' 0 C--O 1.234 0.276 0 CA-C-O 120.988 0.423 . . . . 0.0 110.195 -179.946 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 89' ' ' VAL . . . . . . . . . . . . . 33.3 m -127.08 160.33 35.97 Favored 'Isoleucine or valine' 0 CA--C 1.518 -0.279 0 CA-C-N 116.283 -0.417 . . . . 0.0 110.665 -179.911 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 90' ' ' ARG . . . . . . . . . . . . . 82.4 mtp180 -90.98 165.46 13.54 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.516 -179.806 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 91' ' ' GLN . . . . . . . . . . . . . 2.8 pt20 -60.52 -38.11 83.34 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.314 -0.403 . . . . 0.0 110.597 -179.923 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 36.8 t -66.25 -36.3 82.65 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 116.297 -0.411 . . . . 0.0 110.663 -179.797 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 93' ' ' GLN . . . . . . . . . . . . . 15.8 mm100 -68.71 -48.01 64.93 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.766 -179.266 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 94' ' ' ILE . . . . . 0.421 ' O ' HG23 ' A' ' 94' ' ' ILE . 20.0 tt -91.14 133.19 33.59 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.343 0 CA-C-O 120.934 0.397 . . . . 0.0 110.753 -179.859 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 95' ' ' GLN . . . . . . . . . . . . . 20.1 mm100 -132.69 157.93 43.62 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-O 121.022 0.439 . . . . 0.0 110.427 -179.932 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 96' ' ' VAL . . . . . . . . . . . . . 4.1 p -118.26 131.55 70.7 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.169 0 CA-C-O 121.048 0.452 . . . . 0.0 110.319 -179.88 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 97' ' ' PHE . . . . . . . . . . . . . 52.7 p90 . . . . . 0 C--O 1.221 -0.447 0 CA-C-O 117.932 -1.032 . . . . 0.0 110.63 -179.934 . . . . . . . . 0 0 . 1 . 006 nuclear nobuild core ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 99.6 mtt180 . . . . . 0 N--CA 1.465 0.279 0 CA-C-O 120.957 0.408 . . . . 0.0 110.787 . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild core ' A' A ' 29' ' ' VAL . . . . . 0.433 ' O ' HG23 ' A' ' 29' ' ' VAL . 18.8 m -64.49 131.92 30.27 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.377 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.201 -179.877 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . 97.04 -6.79 64.25 Favored Glycine 0 CA--C 1.525 0.674 0 N-CA-C 110.931 -0.868 . . . . 0.0 110.931 -179.755 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 27.2 m -67.55 141.27 56.89 Favored 'General case' 0 C--N 1.33 -0.244 0 C-N-CA 120.994 -0.282 . . . . 0.0 110.241 179.964 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 39.0 mtp180 -101.35 120.92 40.99 Favored 'General case' 0 N--CA 1.465 0.285 0 CA-C-N 116.507 -0.315 . . . . 0.0 110.264 179.741 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 1.5 m -149.17 175.9 1.02 Allowed 'Isoleucine or valine' 0 C--N 1.331 -0.225 0 CA-C-N 115.872 -0.604 . . . . 0.0 109.947 -179.97 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 10.4 pt-20 -121.14 133.95 55.22 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.231 179.205 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 35' ' ' VAL . . . . . 0.475 ' O ' ' O ' ' A' ' 38' ' ' LYS . 4.7 t -73.65 123.45 28.78 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.386 0 CA-C-O 121.418 0.628 . . . . 0.0 110.291 -179.885 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 5.1 mm -66.73 127.34 28.0 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.825 0 CA-C-N 116.119 -0.492 . . . . 0.0 110.738 -179.449 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 98.83 -35.86 4.39 Favored Glycine 0 CA--C 1.522 0.482 0 N-CA-C 110.82 -0.912 . . . . 0.0 110.82 179.691 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 38' ' ' LYS . . . . . 0.475 ' O ' ' O ' ' A' ' 35' ' ' VAL . 23.7 ttpt -162.46 -138.62 0.04 OUTLIER 'General case' 0 C--N 1.331 -0.199 0 C-N-CA 120.688 -0.405 . . . . 0.0 110.243 -179.924 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 39' ' ' GLY . . . . . 0.472 ' O ' ' O ' ' A' ' 40' ' ' HIS . . . 35.75 78.51 0.04 OUTLIER Glycine 0 C--N 1.336 0.541 0 N-CA-C 111.074 -0.81 . . . . 0.0 111.074 179.527 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 40' ' ' HIS . . . . . 0.564 ' CG ' ' H ' ' A' ' 41' ' ' ARG . 13.7 t-80 -45.17 174.71 0.0 OUTLIER 'General case' 0 C--N 1.327 -0.406 0 CA-C-O 120.913 0.387 . . . . 0.0 110.499 -179.293 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 41' ' ' ARG . . . . . 0.564 ' H ' ' CG ' ' A' ' 40' ' ' HIS . 90.4 mtm180 -45.82 143.09 2.23 Favored 'General case' 0 C--N 1.325 -0.48 0 CA-C-N 116.345 -0.389 . . . . 0.0 110.706 -179.473 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -173.73 -176.13 41.95 Favored Glycine 0 CA--C 1.525 0.666 0 N-CA-C 110.658 -0.977 . . . . 0.0 110.658 -179.895 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 17.6 m -126.07 137.68 53.64 Favored 'General case' 0 N--CA 1.466 0.357 0 CA-C-O 120.735 0.302 . . . . 0.0 110.516 -179.664 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 44' ' ' VAL . . . . . 0.45 ' H ' HG22 ' A' ' 44' ' ' VAL . 2.1 m -74.62 115.53 15.98 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-O 120.974 0.416 . . . . 0.0 110.252 -179.857 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 45' ' ' ALA . . . . . 0.481 ' HB2' HD13 ' A' ' 61' ' ' ILE . . . -98.3 -48.78 4.94 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.501 179.879 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 46' ' ' TYR . . . . . . . . . . . . . 78.6 t80 -124.03 126.05 45.6 Favored 'General case' 0 N--CA 1.467 0.382 0 CA-C-N 116.396 -0.365 . . . . 0.0 110.616 -179.815 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 47' ' ' VAL . . . . . . . . . . . . . 2.8 p -134.39 121.57 37.2 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.27 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.471 179.886 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 160.34 -173.94 37.0 Favored Glycine 0 CA--C 1.52 0.35 0 N-CA-C 110.676 -0.969 . . . . 0.0 110.676 179.496 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -96.82 145.62 25.67 Favored 'General case' 0 C--N 1.328 -0.332 0 N-CA-C 110.1 -0.333 . . . . 0.0 110.1 179.461 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 71.7 p -129.88 147.48 51.65 Favored 'General case' 0 N--CA 1.465 0.292 0 CA-C-O 120.955 0.407 . . . . 0.0 110.369 -179.97 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 75.6 mt -69.59 -13.47 62.34 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-N 116.008 -0.542 . . . . 0.0 110.555 -179.64 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 52' ' ' PHE . . . . . . . . . . . . . 63.6 t80 -69.25 -28.55 66.42 Favored 'General case' 0 C--N 1.327 -0.413 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.6 -179.832 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -151.49 154.15 36.0 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-N 116.465 -0.334 . . . . 0.0 110.517 -179.909 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 54' ' ' THR . . . . . . . . . . . . . 70.2 p -80.54 159.9 25.35 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.287 -0.415 . . . . 0.0 110.448 179.998 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . 87.2 -154.02 25.96 Favored Glycine 0 CA--C 1.522 0.495 0 N-CA-C 110.486 -1.046 . . . . 0.0 110.486 -179.881 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 36.0 ttmt -117.38 118.44 32.25 Favored 'General case' 0 CA--C 1.52 -0.184 0 CA-C-O 120.766 0.317 . . . . 0.0 110.409 179.891 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 57' ' ' TRP . . . . . . . . . . . . . 6.5 m0 -104.23 137.22 42.47 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.216 -179.916 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 58' ' ' VAL . . . . . . . . . . . . . 47.6 t -128.89 123.31 58.75 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.23 0 CA-C-N 115.956 -0.565 . . . . 0.0 110.469 179.859 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . -89.44 117.71 5.02 Favored Glycine 0 CA--C 1.519 0.33 0 N-CA-C 109.919 -1.272 . . . . 0.0 109.919 179.527 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 60' ' ' VAL . . . . . 0.412 ' C ' HD12 ' A' ' 61' ' ' ILE . 56.1 t -114.3 137.27 48.15 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.32 0 CA-C-O 121.441 0.639 . . . . 0.0 110.744 -179.359 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 61' ' ' ILE . . . . . 0.552 HD12 ' N ' ' A' ' 61' ' ' ILE . 1.7 mp -98.67 114.94 37.79 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 N-CA-C 109.339 -0.615 . . . . 0.0 109.339 179.625 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 62' ' ' LEU . . . . . 0.987 HD22 ' H ' ' A' ' 62' ' ' LEU . 0.5 OUTLIER -77.1 143.06 39.47 Favored 'General case' 0 C--N 1.323 -0.557 0 CA-C-N 115.574 -0.739 . . . . 0.0 110.708 -179.869 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 90.9 m-20 -62.62 -44.43 96.3 Favored 'General case' 0 N--CA 1.448 -0.559 0 CA-C-N 115.531 -0.759 . . . . 0.0 110.575 -179.914 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 18.7 pt-20 -93.3 167.35 11.8 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.112 179.646 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -55.46 135.6 50.39 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 116.333 -0.394 . . . . 0.0 110.63 -179.802 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 66' ' ' LYS . . . . . 0.429 ' O ' ' O ' ' A' ' 84' ' ' GLY . 11.1 tptm -143.99 104.6 4.17 Favored 'General case' 0 C--O 1.225 -0.19 0 CA-C-O 121.26 0.552 . . . . 0.0 110.101 179.787 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . -44.28 103.09 0.04 OUTLIER Glycine 0 C--N 1.316 -0.547 0 C-N-CA 120.468 -0.872 . . . . 0.0 112.015 -179.221 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 28.3 tptp -169.3 131.82 1.22 Allowed 'General case' 0 C--N 1.325 -0.465 0 CA-C-N 115.119 -0.54 . . . . 0.0 110.789 179.011 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 69' ' ' ASN . . . . . 0.443 ' OD1' ' O ' ' A' ' 69' ' ' ASN . 35.2 p-10 -94.37 121.52 35.98 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.317 179.031 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 70' ' ' ASP . . . . . 0.483 ' OD2' ' N ' ' A' ' 81' ' ' CYS . 9.3 t70 -120.92 104.66 10.0 Favored 'General case' 0 N--CA 1.465 0.325 0 CA-C-N 116.311 -0.404 . . . . 0.0 110.369 179.95 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . -176.96 -151.99 9.48 Favored Glycine 0 CA--C 1.523 0.592 0 N-CA-C 110.892 -0.883 . . . . 0.0 110.892 -179.989 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 72' ' ' THR . . . . . 0.442 HG22 ' H ' ' A' ' 72' ' ' THR . 0.0 OUTLIER -66.46 111.59 3.65 Favored 'General case' 0 C--N 1.327 -0.409 0 N-CA-C 110.141 -0.318 . . . . 0.0 110.141 179.98 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 73' ' ' VAL . . . . . . . . . . . . . 78.6 t -118.21 129.14 74.98 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.231 0 CA-C-O 121.0 0.428 . . . . 0.0 110.23 -179.952 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 74' ' ' GLN . . . . . . . . . . . . . 37.1 tp60 55.35 21.54 4.26 Favored 'General case' 0 C--N 1.325 -0.46 0 CA-C-N 115.89 -0.596 . . . . 0.0 110.413 179.938 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . 83.13 4.53 89.75 Favored Glycine 0 CA--C 1.523 0.533 0 N-CA-C 111.021 -0.832 . . . . 0.0 111.021 -179.848 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 76' ' ' ARG . . . . . . . . . . . . . 6.7 mmp_? -103.09 121.75 43.24 Favored 'General case' 0 CA--C 1.521 -0.169 0 CA-C-O 120.767 0.317 . . . . 0.0 110.597 179.919 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 89.0 tttt -105.82 89.89 3.22 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.113 179.48 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 78' ' ' TYR . . . . . . . . . . . . . 36.7 m-85 -108.45 -28.29 9.44 Favored 'General case' 0 N--CA 1.466 0.333 0 CA-C-N 116.298 -0.41 . . . . 0.0 110.5 179.876 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 79' ' ' PHE . . . . . . . . . . . . . 4.4 p90 -144.6 152.88 41.15 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.343 -0.389 . . . . 0.0 110.577 -179.869 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 80' ' ' THR . . . . . . . . . . . . . 53.5 m -147.85 125.5 11.81 Favored 'General case' 0 C--N 1.331 -0.206 0 CA-C-N 115.92 -0.582 . . . . 0.0 110.646 179.85 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 81' ' ' CYS . . . . . 0.483 ' N ' ' OD2' ' A' ' 70' ' ' ASP . 5.6 t -155.25 157.67 37.63 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 116.097 -0.501 . . . . 0.0 110.283 179.662 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 82' ' ' ASP . . . . . . . . . . . . . 98.8 m-20 -60.69 140.19 57.59 Favored 'General case' 0 C--O 1.236 0.378 0 CA-C-O 121.293 0.568 . . . . 0.0 110.521 -179.914 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 81.6 tt0 -48.16 138.28 9.67 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 115.922 -0.581 . . . . 0.0 110.076 -179.863 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 84' ' ' GLY . . . . . 0.429 ' O ' ' O ' ' A' ' 66' ' ' LYS . . . 103.83 -3.63 45.53 Favored Glycine 0 CA--C 1.523 0.593 0 N-CA-C 110.613 -0.995 . . . . 0.0 110.613 -179.721 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 85' ' ' HIS . . . . . . . . . . . . . 49.9 m-70 -141.99 165.17 28.18 Favored 'General case' 0 N--CA 1.463 0.199 0 C-N-CA 121.166 -0.213 . . . . 0.0 110.814 179.954 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 86' ' ' GLY . . . . . . . . . . . . . . . 101.3 42.61 2.34 Favored Glycine 0 C--N 1.338 0.691 0 N-CA-C 110.933 -0.867 . . . . 0.0 110.933 179.978 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 87' ' ' ILE . . . . . . . . . . . . . 3.4 tp -78.54 132.37 32.47 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.381 0 N-CA-C 110.178 -0.304 . . . . 0.0 110.178 -179.953 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 88' ' ' PHE . . . . . 0.494 ' CD1' ' O ' ' A' ' 88' ' ' PHE . 51.7 p90 -87.72 131.33 34.52 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.912 -179.816 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 89' ' ' VAL . . . . . . . . . . . . . 30.5 m -136.46 160.0 37.86 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.241 0 CA-C-N 116.059 -0.519 . . . . 0.0 110.204 179.629 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 90' ' ' ARG . . . . . . . . . . . . . 92.0 mtt180 -86.21 163.52 17.73 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 115.963 -0.562 . . . . 0.0 110.536 -179.815 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 91' ' ' GLN . . . . . . . . . . . . . 60.8 tt0 -60.09 -41.59 92.81 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.492 -179.551 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 63.5 p -63.66 -32.73 74.3 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.82 179.873 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 93' ' ' GLN . . . . . . . . . . . . . 86.7 mt-30 -69.08 -48.25 63.17 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.304 -0.407 . . . . 0.0 110.851 -179.786 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 94' ' ' ILE . . . . . 0.476 HG23 ' O ' ' A' ' 94' ' ' ILE . 20.7 tt -90.21 128.35 42.19 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.368 0 CA-C-N 116.313 -0.403 . . . . 0.0 110.462 179.971 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 95' ' ' GLN . . . . . . . . . . . . . 86.1 mt-30 -143.44 154.65 43.9 Favored 'General case' 0 C--N 1.331 -0.199 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.564 -179.831 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 96' ' ' VAL . . . . . . . . . . . . . 29.3 m -75.07 138.16 21.53 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 115.979 -0.555 . . . . 0.0 110.596 -179.92 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 97' ' ' PHE . . . . . . . . . . . . . 89.8 t80 . . . . . 0 C--O 1.22 -0.467 0 CA-C-O 118.05 -0.976 . . . . 0.0 110.56 -179.983 . . . . . . . . 0 0 . 1 . 007 nuclear nobuild core ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 93.4 mtt-85 . . . . . 0 N--CA 1.456 -0.17 0 CA-C-O 120.924 0.392 . . . . 0.0 110.652 . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild core ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 6.7 m -67.13 135.99 27.53 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.418 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.416 -179.871 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . 94.99 -12.51 68.4 Favored Glycine 0 CA--C 1.524 0.622 0 N-CA-C 110.869 -0.892 . . . . 0.0 110.869 -179.862 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 6.6 p -71.84 146.4 47.99 Favored 'General case' 0 C--N 1.329 -0.285 0 N-CA-C 110.003 -0.369 . . . . 0.0 110.003 179.954 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 32.2 ptt85 -107.97 123.04 48.04 Favored 'General case' 0 N--CA 1.465 0.305 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.391 179.752 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 3.3 m -145.85 165.72 9.69 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 115.86 -0.609 . . . . 0.0 110.363 179.887 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 13.8 pt-20 -106.73 129.31 54.63 Favored 'General case' 0 N--CA 1.464 0.24 0 CA-C-N 116.283 -0.417 . . . . 0.0 109.992 179.343 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 35' ' ' VAL . . . . . 0.447 ' O ' ' O ' ' A' ' 38' ' ' LYS . 21.6 t -68.09 128.91 32.22 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 CA-C-O 121.237 0.541 . . . . 0.0 109.812 -179.686 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 89.7 mt -63.92 126.54 22.78 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.634 0 C-N-CA 120.343 -0.543 . . . . 0.0 111.099 -179.189 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 97.8 -37.24 3.54 Favored Glycine 0 CA--C 1.527 0.803 0 N-CA-C 111.333 -0.707 . . . . 0.0 111.333 179.482 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 38' ' ' LYS . . . . . 0.447 ' O ' ' O ' ' A' ' 35' ' ' VAL . 25.4 pttm -163.79 -136.93 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.248 0 CA-C-O 120.825 0.345 . . . . 0.0 110.511 -179.986 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 39' ' ' GLY . . . . . 0.463 ' O ' ' O ' ' A' ' 40' ' ' HIS . . . 40.07 79.82 0.04 OUTLIER Glycine 0 C--N 1.334 0.447 0 N-CA-C 111.25 -0.74 . . . . 0.0 111.25 179.137 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 40' ' ' HIS . . . . . 0.463 ' O ' ' O ' ' A' ' 39' ' ' GLY . 59.9 m170 -44.58 173.81 0.0 OUTLIER 'General case' 0 C--N 1.33 -0.269 0 CA-C-O 121.012 0.434 . . . . 0.0 110.481 -179.547 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 82.4 mtp180 -46.39 139.99 4.5 Favored 'General case' 0 C--N 1.325 -0.473 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.986 -179.43 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -166.6 163.09 36.73 Favored Glycine 0 CA--C 1.524 0.646 0 N-CA-C 110.762 -0.935 . . . . 0.0 110.762 179.901 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 12.5 p -109.26 141.07 42.08 Favored 'General case' 0 N--CA 1.466 0.334 0 CA-C-O 120.958 0.409 . . . . 0.0 110.857 -179.703 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 44' ' ' VAL . . . . . 0.436 ' H ' HG22 ' A' ' 44' ' ' VAL . 1.6 m -78.34 113.03 17.04 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 115.979 -0.555 . . . . 0.0 109.965 -179.935 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -97.6 -48.52 5.22 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.836 -179.854 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 46' ' ' TYR . . . . . . . . . . . . . 80.2 t80 -124.19 132.09 53.59 Favored 'General case' 0 N--CA 1.467 0.4 0 CA-C-O 120.989 0.423 . . . . 0.0 110.886 -179.438 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 47' ' ' VAL . . . . . . . . . . . . . 2.6 p -132.71 120.87 43.33 Favored 'Isoleucine or valine' 0 C--N 1.333 -0.151 0 CA-C-N 115.998 -0.546 . . . . 0.0 110.382 179.649 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 48' ' ' GLY . . . . . 0.422 ' O ' ' O ' ' A' ' 57' ' ' TRP . . . 160.17 -178.48 36.2 Favored Glycine 0 CA--C 1.52 0.36 0 N-CA-C 110.668 -0.973 . . . . 0.0 110.668 179.385 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -88.52 135.69 33.36 Favored 'General case' 0 C--N 1.328 -0.349 0 N-CA-C 110.059 -0.348 . . . . 0.0 110.059 179.328 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 50' ' ' THR . . . . . 0.478 ' O ' ' O ' ' A' ' 53' ' ' ALA . 76.7 p -110.88 144.52 39.8 Favored 'General case' 0 N--CA 1.466 0.369 0 CA-C-O 120.918 0.389 . . . . 0.0 110.352 -179.946 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 62.4 mt -69.52 -17.72 63.61 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.5 -179.775 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 52' ' ' PHE . . . . . . . . . . . . . 81.0 t80 -69.74 -21.88 63.42 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.07 -0.514 . . . . 0.0 110.556 -179.78 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 53' ' ' ALA . . . . . 0.478 ' O ' ' O ' ' A' ' 50' ' ' THR . . . -149.37 149.21 30.5 Favored 'General case' 0 N--CA 1.463 0.188 0 CA-C-O 120.927 0.394 . . . . 0.0 110.508 179.899 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 54' ' ' THR . . . . . . . . . . . . . 18.6 m -78.72 153.49 30.84 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-N 116.294 -0.412 . . . . 0.0 110.816 -179.8 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . 86.72 -163.15 34.93 Favored Glycine 0 CA--C 1.52 0.36 0 N-CA-C 110.505 -1.038 . . . . 0.0 110.505 179.873 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 36.9 ttmt -100.55 141.18 33.78 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.897 0.38 . . . . 0.0 110.252 179.995 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 57' ' ' TRP . . . . . 0.422 ' O ' ' O ' ' A' ' 48' ' ' GLY . 94.5 m95 -137.53 140.89 41.37 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.365 179.784 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 58' ' ' VAL . . . . . . . . . . . . . 47.7 t -117.88 127.03 75.21 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.332 0 CA-C-N 116.406 -0.361 . . . . 0.0 110.508 -179.999 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . -89.33 115.28 4.47 Favored Glycine 0 CA--C 1.519 0.319 0 N-CA-C 109.961 -1.256 . . . . 0.0 109.961 179.739 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 60' ' ' VAL . . . . . 0.506 ' C ' HD12 ' A' ' 61' ' ' ILE . 43.4 t -116.99 137.2 51.66 Favored 'Isoleucine or valine' 0 C--O 1.233 0.192 0 CA-C-O 121.139 0.495 . . . . 0.0 110.621 -179.302 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 61' ' ' ILE . . . . . 0.645 ' N ' HD12 ' A' ' 61' ' ' ILE . 1.7 mp -99.16 110.98 27.56 Favored 'Isoleucine or valine' 0 CA--C 1.517 -0.307 0 N-CA-C 109.09 -0.707 . . . . 0.0 109.09 179.061 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 62' ' ' LEU . . . . . 0.971 ' H ' HD22 ' A' ' 62' ' ' LEU . 0.4 OUTLIER -75.74 146.99 39.66 Favored 'General case' 0 C--N 1.324 -0.507 0 CA-C-N 115.526 -0.761 . . . . 0.0 110.801 -179.504 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 88.4 m-20 -67.82 -19.19 65.04 Favored 'General case' 0 C--N 1.322 -0.596 0 CA-C-N 115.552 -0.749 . . . . 0.0 110.516 -179.762 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 64' ' ' GLU . . . . . 0.415 ' O ' ' NE2' ' A' ' 85' ' ' HIS . 80.2 mm-40 -109.87 176.07 5.2 Favored 'General case' 0 N--CA 1.465 0.321 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.356 -179.976 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -77.5 95.03 4.4 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.089 -0.505 . . . . 0.0 110.766 -179.514 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 66' ' ' LYS . . . . . 0.531 ' N ' ' O ' ' A' ' 84' ' ' GLY . 4.7 tptp -97.48 107.37 19.87 Favored 'General case' 0 N--CA 1.464 0.228 0 CA-C-O 121.177 0.513 . . . . 0.0 109.744 179.903 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . -43.33 101.44 0.02 OUTLIER Glycine 0 C--N 1.315 -0.592 0 C-N-CA 120.475 -0.869 . . . . 0.0 112.124 -179.186 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 19.8 tptp -165.92 136.07 3.47 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-N 114.975 -0.612 . . . . 0.0 110.878 179.388 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 69' ' ' ASN . . . . . . . . . . . . . 86.4 m-20 -87.87 120.23 29.0 Favored 'General case' 0 C--N 1.331 -0.211 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.543 179.722 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 32.7 t0 -116.49 107.2 14.47 Favored 'General case' 0 N--CA 1.466 0.342 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.369 179.738 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . 177.41 -150.75 10.33 Favored Glycine 0 CA--C 1.523 0.556 0 N-CA-C 110.961 -0.856 . . . . 0.0 110.961 -179.908 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 72' ' ' THR . . . . . 0.44 HG22 ' H ' ' A' ' 72' ' ' THR . 0.0 OUTLIER -67.67 122.48 18.14 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.637 0.256 . . . . 0.0 110.381 179.982 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 73' ' ' VAL . . . . . . . . . . . . . 92.2 t -120.35 126.6 75.44 Favored 'Isoleucine or valine' 0 N--CA 1.463 0.213 0 CA-C-O 121.099 0.476 . . . . 0.0 110.165 179.7 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 74' ' ' GLN . . . . . . . . . . . . . 39.9 tp60 60.11 20.2 9.45 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-N 115.838 -0.619 . . . . 0.0 110.297 -179.824 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . 89.56 -2.94 83.32 Favored Glycine 0 CA--C 1.525 0.706 0 N-CA-C 111.124 -0.79 . . . . 0.0 111.124 179.944 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 76' ' ' ARG . . . . . . . . . . . . . 83.5 mmt-85 -103.63 124.94 49.75 Favored 'General case' 0 CA--C 1.519 -0.225 0 CA-C-O 120.98 0.419 . . . . 0.0 109.928 -179.81 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 88.6 tttt -104.52 105.23 15.26 Favored 'General case' 0 C--N 1.332 -0.19 0 CA-C-N 115.907 -0.588 . . . . 0.0 110.572 -179.836 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 78' ' ' TYR . . . . . . . . . . . . . 67.3 m-85 -94.36 -49.53 5.66 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.092 -0.504 . . . . 0.0 110.368 179.47 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 79' ' ' PHE . . . . . . . . . . . . . 25.1 p90 -155.34 160.09 40.45 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 115.946 -0.57 . . . . 0.0 110.643 179.992 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 80' ' ' THR . . . . . . . . . . . . . 97.4 m -128.44 129.27 45.89 Favored 'General case' 0 N--CA 1.465 0.288 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.626 179.969 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 81' ' ' CYS . . . . . . . . . . . . . 8.6 t -136.77 168.2 19.99 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.054 -0.521 . . . . 0.0 110.203 179.934 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 82' ' ' ASP . . . . . . . . . . . . . 98.3 m-20 -63.29 139.39 58.77 Favored 'General case' 0 C--N 1.325 -0.47 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.775 -179.709 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 80.9 mm-40 -51.11 116.6 2.09 Favored 'General case' 0 CA--C 1.514 -0.406 0 CA-C-N 115.933 -0.576 . . . . 0.0 109.883 179.796 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 84' ' ' GLY . . . . . 0.531 ' O ' ' N ' ' A' ' 66' ' ' LYS . . . 115.86 9.58 12.17 Favored Glycine 0 CA--C 1.527 0.795 0 N-CA-C 110.763 -0.935 . . . . 0.0 110.763 -179.957 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 85' ' ' HIS . . . . . 0.415 ' NE2' ' O ' ' A' ' 64' ' ' GLU . 32.0 m170 -134.68 169.39 17.4 Favored 'General case' 0 N--CA 1.467 0.399 0 O-C-N 122.603 -0.351 . . . . 0.0 110.842 179.883 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 86' ' ' GLY . . . . . . . . . . . . . . . 85.29 47.76 5.07 Favored Glycine 0 C--N 1.337 0.634 0 N-CA-C 111.081 -0.808 . . . . 0.0 111.081 -179.993 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 87' ' ' ILE . . . . . 0.622 HG22 HD21 ' A' ' 62' ' ' LEU . 16.7 tt -85.35 130.0 36.95 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.245 0 CA-C-O 121.026 0.441 . . . . 0.0 110.577 -179.911 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 88' ' ' PHE . . . . . . . . . . . . . 53.1 m-85 -77.24 136.54 38.54 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 115.838 -0.619 . . . . 0.0 110.586 -179.61 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 89' ' ' VAL . . . . . . . . . . . . . 33.8 m -140.56 158.11 24.38 Favored 'Isoleucine or valine' 0 C--O 1.236 0.355 0 CA-C-N 115.996 -0.547 . . . . 0.0 110.306 179.51 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 90' ' ' ARG . . . . . . . . . . . . . 84.1 mtp180 -77.76 150.69 34.33 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 115.835 -0.621 . . . . 0.0 110.329 179.67 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 91' ' ' GLN . . . . . . . . . . . . . 22.6 pt20 -63.18 -34.25 77.22 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.099 -0.5 . . . . 0.0 110.689 -179.75 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 77.6 p -72.52 -32.83 66.45 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.133 179.903 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 93' ' ' GLN . . . . . . . . . . . . . 3.2 tp-100 -69.38 -37.28 77.49 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.853 -179.199 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 94' ' ' ILE . . . . . 0.421 ' O ' HG23 ' A' ' 94' ' ' ILE . 19.5 tt -88.99 132.63 33.3 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.101 -179.868 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 95' ' ' GLN . . . . . . . . . . . . . 58.2 tt0 -139.4 155.26 47.74 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.172 -179.895 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 96' ' ' VAL . . . . . . . . . . . . . 6.2 p -120.11 131.48 72.36 Favored 'Isoleucine or valine' 0 N--CA 1.463 0.201 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.181 -179.876 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 97' ' ' PHE . . . . . . . . . . . . . 42.9 t80 . . . . . 0 C--O 1.219 -0.5 0 CA-C-O 117.992 -1.004 . . . . 0.0 110.451 -179.662 . . . . . . . . 0 0 . 1 . 008 nuclear nobuild core ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 62.3 ttp180 . . . . . 0 CA--C 1.528 0.111 0 CA-C-O 120.923 0.392 . . . . 0.0 110.425 . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild core ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 35.3 m -64.08 133.48 29.65 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.425 179.889 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . 100.01 -14.1 60.17 Favored Glycine 0 CA--C 1.526 0.746 0 N-CA-C 110.837 -0.905 . . . . 0.0 110.837 -179.807 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 43.2 t -64.93 142.39 58.45 Favored 'General case' 0 C--O 1.24 0.571 0 CA-C-O 120.917 0.389 . . . . 0.0 110.48 -179.885 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 88.5 mtm180 -99.72 122.43 42.71 Favored 'General case' 0 C--O 1.233 0.221 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.348 -179.65 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 2.1 m -145.41 163.67 11.88 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.145 179.354 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 34' ' ' GLU . . . . . 0.405 ' O ' ' CG ' ' A' ' 34' ' ' GLU . 8.3 pt-20 -111.21 127.91 55.75 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.487 178.59 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 53.2 t -65.1 132.47 30.9 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.262 0 CA-C-O 121.06 0.457 . . . . 0.0 110.281 179.898 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 96.0 mt -74.35 129.59 36.47 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.453 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.952 -179.254 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 94.09 -39.6 2.89 Favored Glycine 0 CA--C 1.52 0.385 0 N-CA-C 111.047 -0.821 . . . . 0.0 111.047 179.129 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 53.3 mtmt -155.42 -145.09 0.15 Allowed 'General case' 0 C--N 1.329 -0.324 0 N-CA-C 110.32 -0.252 . . . . 0.0 110.32 -179.799 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 39' ' ' GLY . . . . . 0.483 ' O ' ' O ' ' A' ' 40' ' ' HIS . . . 39.25 78.5 0.05 OUTLIER Glycine 0 CA--C 1.524 0.63 0 N-CA-C 111.205 -0.758 . . . . 0.0 111.205 179.787 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 40' ' ' HIS . . . . . 0.483 ' O ' ' O ' ' A' ' 39' ' ' GLY . 34.1 m80 -45.65 177.62 0.0 OUTLIER 'General case' 0 C--N 1.332 -0.17 0 CA-C-O 121.125 0.488 . . . . 0.0 110.369 179.971 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 41' ' ' ARG . . . . . 0.535 ' O ' HD13 ' A' ' 62' ' ' LEU . 20.9 ptt-85 -42.49 135.73 2.65 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 116.059 -0.518 . . . . 0.0 110.867 -179.355 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -164.28 171.5 39.83 Favored Glycine 0 CA--C 1.519 0.328 0 N-CA-C 110.815 -0.914 . . . . 0.0 110.815 -179.599 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 14.8 m -123.48 132.65 53.98 Favored 'General case' 0 N--CA 1.465 0.297 0 CA-C-O 120.725 0.298 . . . . 0.0 110.472 -179.554 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 77.4 t -76.31 130.07 36.58 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.318 -179.699 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -130.36 -38.79 1.35 Allowed 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.309 -0.405 . . . . 0.0 110.602 -179.911 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 46' ' ' TYR . . . . . . . . . . . . . 63.9 t80 -117.59 117.71 30.14 Favored 'General case' 0 CA--C 1.518 -0.27 0 CA-C-N 116.339 -0.392 . . . . 0.0 110.506 -179.552 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 47' ' ' VAL . . . . . . . . . . . . . 2.8 p -130.8 122.28 51.96 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.261 0 CA-C-O 121.009 0.433 . . . . 0.0 110.326 179.566 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 160.67 -175.53 37.37 Favored Glycine 0 CA--C 1.521 0.442 0 N-CA-C 110.818 -0.913 . . . . 0.0 110.818 179.303 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -98.89 117.53 33.59 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-O 120.948 0.404 . . . . 0.0 110.357 179.574 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 50' ' ' THR . . . . . 0.41 ' O ' ' O ' ' A' ' 53' ' ' ALA . 71.3 p -87.35 148.31 25.1 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.434 179.963 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 51' ' ' LEU . . . . . 0.558 HD12 ' N ' ' A' ' 51' ' ' LEU . 8.7 mp -69.94 -13.43 62.24 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.169 -0.468 . . . . 0.0 110.304 179.934 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 52' ' ' PHE . . . . . . . . . . . . . 90.0 t80 -70.3 -28.01 64.84 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.492 -179.79 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 53' ' ' ALA . . . . . 0.41 ' O ' ' O ' ' A' ' 50' ' ' THR . . . -151.61 153.94 35.45 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.294 -0.412 . . . . 0.0 110.506 179.966 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 54' ' ' THR . . . . . . . . . . . . . 10.4 p -81.73 169.34 17.06 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.6 -179.822 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . 87.78 -146.14 19.77 Favored Glycine 0 CA--C 1.521 0.413 0 N-CA-C 110.712 -0.955 . . . . 0.0 110.712 -179.872 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 85.5 tttt -132.55 122.28 24.57 Favored 'General case' 0 N--CA 1.464 0.257 0 CA-C-O 120.826 0.346 . . . . 0.0 110.315 -179.945 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 57' ' ' TRP . . . . . . . . . . . . . 84.8 m95 -117.23 148.06 41.97 Favored 'General case' 0 C--O 1.234 0.24 0 CA-C-N 116.301 -0.409 . . . . 0.0 110.304 179.964 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 58' ' ' VAL . . . . . 0.519 ' CG2' ' NE2' ' A' ' 91' ' ' GLN . 53.0 t -125.49 124.14 66.28 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.308 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.504 179.976 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . -87.39 114.35 4.12 Favored Glycine 0 C--O 1.238 0.354 0 N-CA-C 110.476 -1.049 . . . . 0.0 110.476 179.669 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 60' ' ' VAL . . . . . . . . . . . . . 18.2 t -112.0 134.02 55.82 Favored 'Isoleucine or valine' 0 C--O 1.233 0.191 0 CA-C-O 121.088 0.47 . . . . 0.0 110.532 -179.302 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 61' ' ' ILE . . . . . 0.687 HD12 ' N ' ' A' ' 61' ' ' ILE . 1.6 mp -90.56 105.26 16.15 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.254 0 CA-C-N 116.094 -0.503 . . . . 0.0 109.959 179.291 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 62' ' ' LEU . . . . . 0.606 HD22 ' N ' ' A' ' 62' ' ' LEU . 3.3 mm? -69.14 139.82 54.7 Favored 'General case' 0 C--N 1.32 -0.687 0 CA-C-N 116.043 -0.526 . . . . 0.0 111.283 179.491 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 97.0 m-20 -77.94 -19.08 55.26 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-N 116.05 -0.523 . . . . 0.0 110.395 179.693 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 44.0 tt0 -110.5 146.33 36.18 Favored 'General case' 0 N--CA 1.466 0.344 0 CA-C-N 116.324 -0.398 . . . . 0.0 110.313 179.86 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -48.39 101.16 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.061 -0.518 . . . . 0.0 110.625 -179.48 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 66' ' ' LYS . . . . . 0.544 ' N ' ' O ' ' A' ' 84' ' ' GLY . 0.8 OUTLIER -115.83 109.26 17.39 Favored 'General case' 0 N--CA 1.464 0.237 0 CA-C-O 121.358 0.599 . . . . 0.0 110.253 179.422 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . -43.93 104.64 0.06 OUTLIER Glycine 0 CA--C 1.521 0.422 0 C-N-CA 120.638 -0.792 . . . . 0.0 112.101 -179.215 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 68' ' ' LYS . . . . . 0.419 ' NZ ' ' O ' ' A' ' 86' ' ' GLY . 19.0 tptm -169.35 134.58 1.51 Allowed 'General case' 0 N--CA 1.447 -0.604 0 CA-C-O 120.927 0.394 . . . . 0.0 110.68 179.307 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 69' ' ' ASN . . . . . . . . . . . . . 62.6 t30 -90.88 119.85 31.42 Favored 'General case' 0 C--O 1.233 0.223 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.33 178.938 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 70' ' ' ASP . . . . . 0.539 ' OD2' ' N ' ' A' ' 81' ' ' CYS . 13.9 t70 -120.89 101.87 7.99 Favored 'General case' 0 N--CA 1.467 0.393 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.498 179.62 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . -175.22 -148.91 6.99 Favored Glycine 0 CA--C 1.524 0.598 0 N-CA-C 110.912 -0.875 . . . . 0.0 110.912 179.729 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 72' ' ' THR . . . . . 0.448 ' H ' HG22 ' A' ' 72' ' ' THR . 0.0 OUTLIER -76.29 127.7 33.42 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.741 0.305 . . . . 0.0 110.415 -179.752 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 73' ' ' VAL . . . . . . . . . . . . . 64.2 t -119.64 128.11 75.88 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.268 0 CA-C-N 116.354 -0.385 . . . . 0.0 110.191 179.848 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 74' ' ' GLN . . . . . . . . . . . . . 97.9 mt-30 54.1 21.21 2.87 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.034 -0.53 . . . . 0.0 110.558 179.685 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . 89.58 2.06 76.7 Favored Glycine 0 CA--C 1.523 0.549 0 N-CA-C 110.809 -0.916 . . . . 0.0 110.809 179.854 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 76' ' ' ARG . . . . . . . . . . . . . 95.5 mtt-85 -96.29 115.34 27.28 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-O 121.017 0.436 . . . . 0.0 110.074 -179.851 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 88.4 tttt -104.99 92.99 4.46 Favored 'General case' 0 C--N 1.331 -0.207 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.712 -179.583 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 78' ' ' TYR . . . . . . . . . . . . . 38.8 m-85 -102.45 -35.91 8.61 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.347 -0.388 . . . . 0.0 110.373 179.235 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 79' ' ' PHE . . . . . . . . . . . . . 29.2 p90 -151.32 151.32 31.62 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.296 -0.411 . . . . 0.0 110.601 179.909 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 80' ' ' THR . . . . . . . . . . . . . 86.9 m -137.6 135.16 36.36 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.316 -0.402 . . . . 0.0 110.734 -179.818 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 81' ' ' CYS . . . . . 0.539 ' N ' ' OD2' ' A' ' 70' ' ' ASP . 18.6 t -155.64 164.28 38.82 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.264 179.42 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 82' ' ' ASP . . . . . . . . . . . . . 98.7 m-20 -66.57 141.36 57.87 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-O 121.095 0.474 . . . . 0.0 110.574 -179.923 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 17.2 pt-20 -52.14 146.43 8.97 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.06 -0.518 . . . . 0.0 110.336 179.813 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 84' ' ' GLY . . . . . 0.544 ' O ' ' N ' ' A' ' 66' ' ' LYS . . . 101.52 -13.87 58.05 Favored Glycine 0 CA--C 1.522 0.516 0 N-CA-C 110.579 -1.008 . . . . 0.0 110.579 179.981 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 85' ' ' HIS . . . . . 0.556 ' CD2' ' O ' ' A' ' 62' ' ' LEU . 3.7 m80 -138.59 160.3 39.94 Favored 'General case' 0 C--N 1.329 -0.289 0 O-C-N 122.503 -0.41 . . . . 0.0 110.265 -179.801 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 86' ' ' GLY . . . . . 0.419 ' O ' ' NZ ' ' A' ' 68' ' ' LYS . . . 104.64 45.9 1.36 Allowed Glycine 0 CA--C 1.521 0.432 0 N-CA-C 110.875 -0.89 . . . . 0.0 110.875 179.454 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 87' ' ' ILE . . . . . . . . . . . . . 79.4 mt -80.67 153.71 4.35 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.37 0 CA-C-O 121.056 0.455 . . . . 0.0 110.398 179.602 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 88' ' ' PHE . . . . . 0.501 ' O ' ' CD2' ' A' ' 88' ' ' PHE . 54.6 p90 -101.58 126.36 48.39 Favored 'General case' 0 C--O 1.232 0.177 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.301 179.415 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 89' ' ' VAL . . . . . . . . . . . . . 26.9 m -133.61 159.5 42.63 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.256 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.451 179.886 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 90' ' ' ARG . . . . . . . . . . . . . 86.1 mtm180 -87.33 167.89 13.65 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.588 -179.802 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 91' ' ' GLN . . . . . 0.519 ' NE2' ' CG2' ' A' ' 58' ' ' VAL . 95.0 mm-40 -62.11 -43.85 97.93 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.48 -179.696 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 57.9 m -59.46 -35.25 73.72 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.642 179.977 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 93' ' ' GLN . . . . . . . . . . . . . 15.8 mm100 -68.43 -51.73 40.49 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.867 -179.322 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 94' ' ' ILE . . . . . 0.433 ' O ' ' O ' ' A' ' 91' ' ' GLN . 20.3 tt -90.84 133.28 33.09 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 116.266 -0.425 . . . . 0.0 110.728 -179.591 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 95' ' ' GLN . . . . . . . . . . . . . 57.9 tt0 -138.26 154.2 49.06 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 116.24 -0.437 . . . . 0.0 110.429 179.806 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 96' ' ' VAL . . . . . 0.426 ' H ' HG22 ' A' ' 96' ' ' VAL . 13.0 m -77.53 142.42 14.23 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.352 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.644 -179.86 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 97' ' ' PHE . . . . . . . . . . . . . 55.6 p90 . . . . . 0 C--O 1.22 -0.453 0 CA-C-O 118.003 -0.999 . . . . 0.0 110.64 -179.841 . . . . . . . . 0 0 . 1 . 009 nuclear nobuild core ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 78.8 mtp85 . . . . . 0 C--O 1.232 0.136 0 CA-C-O 120.847 0.356 . . . . 0.0 110.723 . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild core ' A' A ' 29' ' ' VAL . . . . . 0.451 ' O ' HG23 ' A' ' 29' ' ' VAL . 19.1 m -64.3 129.94 28.76 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-O 121.111 0.481 . . . . 0.0 110.32 179.874 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . 101.64 -14.55 57.68 Favored Glycine 0 CA--C 1.526 0.769 0 N-CA-C 110.875 -0.89 . . . . 0.0 110.875 -179.81 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 35.4 t -67.41 140.93 57.18 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-O 121.068 0.461 . . . . 0.0 110.559 179.942 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 99.9 mtt180 -101.38 124.89 47.79 Favored 'General case' 0 C--O 1.233 0.197 0 CA-C-O 121.03 0.443 . . . . 0.0 110.477 179.982 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 2.5 m -144.68 170.51 7.37 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.41 179.586 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 34' ' ' GLU . . . . . 0.422 ' O ' ' CG ' ' A' ' 34' ' ' GLU . 8.1 pt-20 -121.32 126.51 49.67 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.349 -0.387 . . . . 0.0 110.578 178.85 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 4.6 t -60.63 135.25 25.56 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.414 0 CA-C-N 116.295 -0.411 . . . . 0.0 110.315 179.939 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 96.6 mt -72.33 128.04 34.87 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.425 0 CA-C-N 116.143 -0.48 . . . . 0.0 111.035 -179.095 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 94.73 -42.25 2.44 Favored Glycine 0 C--N 1.33 0.237 0 N-CA-C 111.252 -0.739 . . . . 0.0 111.252 179.3 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 38' ' ' LYS . . . . . 0.406 ' O ' ' C ' ' A' ' 39' ' ' GLY . 97.3 mttt -154.67 -137.97 0.07 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.567 0.222 . . . . 0.0 110.718 179.822 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 39' ' ' GLY . . . . . 0.489 ' O ' ' O ' ' A' ' 40' ' ' HIS . . . 38.72 80.97 0.02 OUTLIER Glycine 0 CA--C 1.524 0.601 0 N-CA-C 111.11 -0.796 . . . . 0.0 111.11 179.66 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 40' ' ' HIS . . . . . 0.515 ' ND1' ' CE ' ' A' ' 66' ' ' LYS . 62.6 m80 -45.8 176.46 0.0 OUTLIER 'General case' 0 C--N 1.328 -0.347 0 CA-C-O 120.935 0.397 . . . . 0.0 110.39 -179.588 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 99.9 mtt180 -44.05 146.36 0.63 Allowed 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 116.266 -0.424 . . . . 0.0 110.767 -179.419 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -167.05 160.86 34.67 Favored Glycine 0 CA--C 1.52 0.394 0 N-CA-C 110.832 -0.907 . . . . 0.0 110.832 -179.901 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 5.2 m -113.36 133.34 55.2 Favored 'General case' 0 C--N 1.332 -0.178 0 CA-C-O 120.81 0.338 . . . . 0.0 110.612 -179.726 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 84.2 t -68.8 132.31 33.07 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.345 -179.72 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -123.59 -33.71 3.17 Favored 'General case' 0 CA--C 1.519 -0.223 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.784 -179.949 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 46' ' ' TYR . . . . . . . . . . . . . 87.5 t80 -132.64 123.41 26.33 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.322 -0.399 . . . . 0.0 110.739 -179.835 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 47' ' ' VAL . . . . . 0.41 ' O ' HG13 ' A' ' 47' ' ' VAL . 3.4 p -127.93 121.98 57.52 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.355 179.765 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 160.41 174.64 30.47 Favored Glycine 0 CA--C 1.524 0.599 0 N-CA-C 110.862 -0.895 . . . . 0.0 110.862 179.79 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -90.94 113.75 26.06 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-O 120.931 0.396 . . . . 0.0 110.474 179.664 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 50' ' ' THR . . . . . 0.494 ' O ' ' O ' ' A' ' 53' ' ' ALA . 60.8 p -76.07 143.66 41.2 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.633 -179.898 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 68.9 mt -70.85 -17.73 62.73 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.601 -179.792 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 52' ' ' PHE . . . . . . . . . . . . . 85.1 t80 -71.12 -23.39 62.08 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.605 -179.676 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 53' ' ' ALA . . . . . 0.494 ' O ' ' O ' ' A' ' 50' ' ' THR . . . -151.35 150.68 30.78 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-N 116.229 -0.442 . . . . 0.0 110.578 -179.941 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 54' ' ' THR . . . . . 0.407 ' O ' ' NE1' ' A' ' 57' ' ' TRP . 73.1 p -78.04 167.71 21.02 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.631 179.894 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . 86.41 -172.73 45.3 Favored Glycine 0 CA--C 1.521 0.438 0 N-CA-C 110.882 -0.887 . . . . 0.0 110.882 -179.898 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 88.8 tttt -103.82 118.09 35.87 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-O 121.028 0.442 . . . . 0.0 110.693 179.853 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 57' ' ' TRP . . . . . 0.407 ' NE1' ' O ' ' A' ' 54' ' ' THR . 63.0 m95 -112.08 142.81 44.06 Favored 'General case' 0 C--O 1.234 0.238 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.455 179.817 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 58' ' ' VAL . . . . . . . . . . . . . 54.7 t -126.91 122.69 60.99 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.153 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.673 179.863 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . -84.0 111.89 3.51 Favored Glycine 0 CA--C 1.521 0.442 0 N-CA-C 110.641 -0.984 . . . . 0.0 110.641 179.71 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 60' ' ' VAL . . . . . 0.481 ' C ' HD12 ' A' ' 61' ' ' ILE . 46.2 t -113.55 140.49 33.59 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-O 121.134 0.493 . . . . 0.0 110.917 -179.629 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 61' ' ' ILE . . . . . 0.671 HD12 ' N ' ' A' ' 61' ' ' ILE . 1.7 mp -98.12 111.82 28.75 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.317 0 CA-C-N 116.112 -0.495 . . . . 0.0 109.733 179.156 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 62' ' ' LEU . . . . . 1.059 HD22 ' H ' ' A' ' 62' ' ' LEU . 0.2 OUTLIER -80.65 141.33 35.04 Favored 'General case' 0 C--N 1.324 -0.531 0 CA-C-N 116.258 -0.428 . . . . 0.0 111.319 -179.497 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 32.4 t70 -64.65 -39.11 93.12 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.443 179.85 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 79.5 mm-40 -83.56 160.15 21.5 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.492 179.813 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -68.61 97.55 0.8 Allowed 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.784 -179.942 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 66' ' ' LYS . . . . . 0.515 ' CE ' ' ND1' ' A' ' 40' ' ' HIS . 67.2 mmtt -109.77 109.25 19.87 Favored 'General case' 0 N--CA 1.465 0.287 0 CA-C-O 121.154 0.502 . . . . 0.0 110.328 179.6 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . -44.03 110.12 0.32 Allowed Glycine 0 N--CA 1.452 -0.245 0 C-N-CA 120.674 -0.774 . . . . 0.0 111.943 -179.254 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 68' ' ' LYS . . . . . 0.43 ' H ' ' HA2' ' A' ' 84' ' ' GLY . 50.1 tptt -168.82 128.19 1.11 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.739 0.304 . . . . 0.0 110.274 179.821 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 69' ' ' ASN . . . . . . . . . . . . . 98.3 m-20 -89.54 121.62 31.92 Favored 'General case' 0 CA--C 1.516 -0.354 0 CA-C-N 116.254 -0.43 . . . . 0.0 111.118 179.826 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 70' ' ' ASP . . . . . 0.526 ' OD2' ' N ' ' A' ' 81' ' ' CYS . 8.0 t70 -122.69 104.32 9.24 Favored 'General case' 0 C--O 1.233 0.195 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.403 179.66 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . 175.05 -162.12 31.74 Favored Glycine 0 CA--C 1.524 0.651 0 N-CA-C 110.904 -0.878 . . . . 0.0 110.904 179.76 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 72' ' ' THR . . . . . 0.461 HG22 ' H ' ' A' ' 72' ' ' THR . 0.0 OUTLIER -55.29 121.84 9.78 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-O 121.024 0.44 . . . . 0.0 110.341 -179.861 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 73' ' ' VAL . . . . . 0.403 ' O ' HG13 ' A' ' 73' ' ' VAL . 8.5 p -127.94 134.03 66.08 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.191 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.689 -179.779 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 74' ' ' GLN . . . . . . . . . . . . . 87.1 mm-40 53.52 25.8 5.08 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.5 -179.873 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . 80.27 13.87 81.21 Favored Glycine 0 CA--C 1.52 0.353 0 N-CA-C 110.932 -0.867 . . . . 0.0 110.932 179.992 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 76' ' ' ARG . . . . . . . . . . . . . 62.7 ttm-85 -112.86 115.19 28.06 Favored 'General case' 0 C--O 1.233 0.212 0 CA-C-O 121.05 0.452 . . . . 0.0 110.32 -179.804 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 61.3 tttp -106.58 90.12 3.24 Favored 'General case' 0 C--O 1.234 0.242 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.677 179.827 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 78' ' ' TYR . . . . . . . . . . . . . 2.7 m-85 -107.98 -32.67 7.47 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.353 -0.385 . . . . 0.0 110.615 179.701 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 79' ' ' PHE . . . . . . . . . . . . . 35.5 p90 -149.15 148.51 29.73 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.667 -179.542 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 80' ' ' THR . . . . . . . . . . . . . 91.7 m -147.56 136.34 21.99 Favored 'General case' 0 CA--C 1.519 -0.223 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.55 179.928 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 81' ' ' CYS . . . . . 0.526 ' N ' ' OD2' ' A' ' 70' ' ' ASP . 32.5 t -147.1 174.47 11.53 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.434 179.76 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 82' ' ' ASP . . . . . 0.49 ' N ' ' SG ' ' A' ' 81' ' ' CYS . 93.2 m-20 -61.0 140.42 57.83 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.698 -180.0 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 85.4 tt0 -52.65 141.07 21.7 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.235 179.763 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 84' ' ' GLY . . . . . 0.458 ' C ' ' O ' ' A' ' 66' ' ' LYS . . . 85.85 21.49 52.95 Favored Glycine 0 CA--C 1.526 0.725 0 N-CA-C 110.542 -1.023 . . . . 0.0 110.542 -179.615 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 85' ' ' HIS . . . . . 0.435 ' CE1' ' O ' ' A' ' 62' ' ' LEU . 90.7 m-70 -148.11 168.69 21.76 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-O 120.831 0.348 . . . . 0.0 110.626 179.914 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 86' ' ' GLY . . . . . . . . . . . . . . . 91.22 37.91 6.12 Favored Glycine 0 CA--C 1.52 0.374 0 N-CA-C 111.205 -0.758 . . . . 0.0 111.205 179.678 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 87' ' ' ILE . . . . . . . . . . . . . 2.7 mm -68.24 136.17 27.0 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-O 120.905 0.383 . . . . 0.0 110.385 179.885 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 88' ' ' PHE . . . . . 0.527 ' CD1' ' O ' ' A' ' 88' ' ' PHE . 50.1 p90 -90.49 129.83 36.61 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.044 -0.525 . . . . 0.0 110.873 -179.945 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 89' ' ' VAL . . . . . . . . . . . . . 2.8 m -137.17 161.22 35.46 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.175 0 CA-C-N 116.123 -0.489 . . . . 0.0 110.571 179.908 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 90' ' ' ARG . . . . . . . . . . . . . 84.1 mtp180 -97.18 173.16 7.38 Favored 'General case' 0 C--N 1.331 -0.213 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.638 179.849 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 91' ' ' GLN . . . . . 0.441 ' O ' ' O ' ' A' ' 94' ' ' ILE . 98.2 mt-30 -64.63 -32.35 73.98 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.663 -179.872 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 71.1 m -60.78 -43.87 97.52 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.603 -179.866 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 93' ' ' GLN . . . . . . . . . . . . . 72.2 mm-40 -71.8 -41.45 68.25 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.565 -179.986 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 94' ' ' ILE . . . . . 0.441 ' O ' ' O ' ' A' ' 91' ' ' GLN . 4.7 mm -87.86 120.76 37.44 Favored 'Isoleucine or valine' 0 CA--C 1.518 -0.26 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.653 -179.935 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 95' ' ' GLN . . . . . . . . . . . . . 54.4 tt0 -130.42 127.59 39.61 Favored 'General case' 0 C--N 1.331 -0.207 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.574 -179.797 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 96' ' ' VAL . . . . . . . . . . . . . 23.1 m -74.07 133.45 31.58 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.619 -179.879 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 97' ' ' PHE . . . . . . . . . . . . . 91.3 m-85 . . . . . 0 C--O 1.218 -0.554 0 CA-C-O 118.049 -0.977 . . . . 0.0 110.546 179.972 . . . . . . . . 0 0 . 1 . 010 nuclear nobuild core ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 95.9 mtt-85 . . . . . 0 C--O 1.233 0.186 0 CA-C-O 121.035 0.445 . . . . 0.0 110.773 . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild core ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 35.8 m -65.96 134.53 29.69 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.393 0 CA-C-N 115.99 -0.55 . . . . 0.0 110.274 179.971 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . 95.31 -14.39 65.18 Favored Glycine 0 CA--C 1.524 0.632 0 N-CA-C 110.759 -0.937 . . . . 0.0 110.759 -179.791 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 46.7 t -67.31 141.24 57.24 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 120.705 0.288 . . . . 0.0 110.401 179.835 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 32' ' ' ARG . . . . . 0.452 HH12 ' NH1' ' A' ' 41' ' ' ARG . 69.1 ttp85 -106.64 123.62 48.39 Favored 'General case' 0 N--CA 1.464 0.253 0 CA-C-O 120.865 0.364 . . . . 0.0 110.444 179.85 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 2.8 m -145.86 165.74 9.67 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.232 0 CA-C-N 115.988 -0.551 . . . . 0.0 110.354 179.781 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 34' ' ' GLU . . . . . 0.435 ' O ' ' CG ' ' A' ' 34' ' ' GLU . 8.4 pt-20 -113.27 126.14 55.08 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.177 179.174 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 35' ' ' VAL . . . . . 0.403 ' O ' ' O ' ' A' ' 38' ' ' LYS . 15.0 t -65.23 133.81 30.18 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 N-CA-C 109.93 -0.396 . . . . 0.0 109.93 -179.975 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 25.4 mm -74.84 132.22 33.7 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.51 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.888 -179.243 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 93.31 -36.58 3.67 Favored Glycine 0 CA--C 1.525 0.674 0 N-CA-C 111.049 -0.82 . . . . 0.0 111.049 179.554 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 38' ' ' LYS . . . . . 0.403 ' O ' ' O ' ' A' ' 35' ' ' VAL . 59.9 pttt -161.28 -142.97 0.09 Allowed 'General case' 0 C--N 1.328 -0.352 0 N-CA-C 110.228 -0.286 . . . . 0.0 110.228 179.991 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 39' ' ' GLY . . . . . 0.463 ' O ' ' O ' ' A' ' 40' ' ' HIS . . . 37.65 78.39 0.05 OUTLIER Glycine 0 CA--C 1.524 0.631 0 N-CA-C 111.279 -0.729 . . . . 0.0 111.279 179.739 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 40' ' ' HIS . . . . . 0.567 ' CE1' ' HZ3' ' A' ' 66' ' ' LYS . 57.1 m170 -45.57 175.84 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.893 0.378 . . . . 0.0 110.6 -179.797 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 41' ' ' ARG . . . . . 0.452 ' NH1' HH12 ' A' ' 32' ' ' ARG . 90.9 mtt-85 -44.91 144.84 1.07 Allowed 'General case' 0 C--N 1.326 -0.418 0 CA-C-N 116.331 -0.395 . . . . 0.0 110.747 -179.675 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -167.83 170.84 42.06 Favored Glycine 0 CA--C 1.523 0.543 0 N-CA-C 110.764 -0.934 . . . . 0.0 110.764 -179.708 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 58.5 m -121.81 131.74 54.22 Favored 'General case' 0 N--CA 1.465 0.322 0 CA-C-O 120.921 0.391 . . . . 0.0 110.531 -179.69 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 90.4 t -68.5 132.58 32.76 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.251 0 CA-C-N 116.038 -0.528 . . . . 0.0 110.204 -179.723 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -124.8 -46.17 1.86 Allowed 'General case' 0 N--CA 1.463 0.188 0 CA-C-N 116.359 -0.382 . . . . 0.0 110.439 -179.768 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 46' ' ' TYR . . . . . . . . . . . . . 74.4 t80 -117.19 120.04 37.05 Favored 'General case' 0 N--CA 1.467 0.411 0 CA-C-N 116.385 -0.37 . . . . 0.0 110.285 179.875 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 47' ' ' VAL . . . . . . . . . . . . . 2.7 p -132.71 123.35 48.91 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.205 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.444 179.925 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 160.51 -179.78 35.8 Favored Glycine 0 CA--C 1.521 0.461 0 N-CA-C 110.682 -0.967 . . . . 0.0 110.682 179.439 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -99.56 112.81 24.97 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.808 0.337 . . . . 0.0 110.33 179.463 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 50' ' ' THR . . . . . 0.408 ' O ' ' O ' ' A' ' 53' ' ' ALA . 76.6 p -78.7 145.87 34.28 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.091 -0.504 . . . . 0.0 110.485 179.85 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 51' ' ' LEU . . . . . 0.564 HD22 ' N ' ' A' ' 51' ' ' LEU . 3.9 mm? -67.23 -15.09 63.49 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.471 -179.885 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 52' ' ' PHE . . . . . . . . . . . . . 80.8 t80 -69.93 -29.46 66.63 Favored 'General case' 0 C--N 1.325 -0.496 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.404 -180.0 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 53' ' ' ALA . . . . . 0.408 ' O ' ' O ' ' A' ' 50' ' ' THR . . . -151.48 145.79 25.45 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-O 120.851 0.358 . . . . 0.0 110.419 179.759 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 54' ' ' THR . . . . . 0.489 HG22 ' N ' ' A' ' 55' ' ' GLY . 32.5 m -80.63 160.53 25.04 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.364 -179.889 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 55' ' ' GLY . . . . . 0.489 ' N ' HG22 ' A' ' 54' ' ' THR . . . 106.5 -138.58 14.47 Favored Glycine 0 N--CA 1.463 0.461 0 N-CA-C 110.604 -0.998 . . . . 0.0 110.604 179.939 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 88.6 tttt -136.56 119.02 15.8 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.785 0.326 . . . . 0.0 110.388 -179.946 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 57' ' ' TRP . . . . . . . . . . . . . 20.5 m95 -112.86 132.42 55.3 Favored 'General case' 0 N--CA 1.464 0.241 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.124 179.708 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 58' ' ' VAL . . . . . . . . . . . . . 59.0 t -124.95 125.54 69.78 Favored 'Isoleucine or valine' 0 N--CA 1.462 0.154 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.447 179.888 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . -98.23 113.17 4.65 Favored Glycine 0 CA--C 1.52 0.399 0 N-CA-C 110.093 -1.203 . . . . 0.0 110.093 179.569 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 60' ' ' VAL . . . . . . . . . . . . . 20.5 t -111.12 130.91 63.73 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.282 0 CA-C-O 121.107 0.479 . . . . 0.0 110.697 -179.523 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 61' ' ' ILE . . . . . 0.669 HD12 ' N ' ' A' ' 61' ' ' ILE . 1.6 mp -85.03 103.46 12.21 Favored 'Isoleucine or valine' 0 CA--C 1.517 -0.292 0 CA-C-N 115.927 -0.578 . . . . 0.0 109.528 179.157 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 62' ' ' LEU . . . . . 0.665 HD12 ' CB ' ' A' ' 66' ' ' LYS . 7.8 mt -75.08 144.78 42.77 Favored 'General case' 0 C--N 1.321 -0.651 0 CA-C-N 115.978 -0.555 . . . . 0.0 111.043 -179.323 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 63' ' ' ASP . . . . . 0.454 ' OD1' ' N ' ' A' ' 63' ' ' ASP . 29.9 p-10 -74.73 -40.86 61.03 Favored 'General case' 0 C--N 1.325 -0.493 0 CA-C-N 116.06 -0.518 . . . . 0.0 110.804 179.384 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 64' ' ' GLU . . . . . 0.431 ' N ' ' OD1' ' A' ' 63' ' ' ASP . 41.5 tp10 -79.18 149.45 31.96 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.23 179.994 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -59.23 95.87 0.03 OUTLIER 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.38 -0.373 . . . . 0.0 110.787 179.967 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 66' ' ' LYS . . . . . 0.665 ' CB ' HD12 ' A' ' 62' ' ' LEU . 18.3 tptt -109.57 112.06 23.93 Favored 'General case' 0 N--CA 1.461 0.079 0 CA-C-O 121.538 0.685 . . . . 0.0 109.887 179.885 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . -45.44 105.41 0.09 OUTLIER Glycine 0 N--CA 1.445 -0.709 0 C-N-CA 120.436 -0.887 . . . . 0.0 111.945 -179.342 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 52.7 tptt -165.49 133.16 2.99 Favored 'General case' 0 C--N 1.323 -0.556 0 CA-C-N 115.388 -0.406 . . . . 0.0 110.509 179.14 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 69' ' ' ASN . . . . . . . . . . . . . 31.3 p-10 -100.48 123.61 44.93 Favored 'General case' 0 N--CA 1.464 0.253 0 CA-C-N 116.324 -0.398 . . . . 0.0 110.821 179.215 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 -121.88 103.15 8.64 Favored 'General case' 0 N--CA 1.469 0.475 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.3 179.425 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . -176.79 -150.4 8.26 Favored Glycine 0 CA--C 1.524 0.603 0 N-CA-C 110.964 -0.854 . . . . 0.0 110.964 179.684 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 72' ' ' THR . . . . . . . . . . . . . 1.7 p -77.06 125.13 28.82 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-O 120.853 0.358 . . . . 0.0 110.412 -179.679 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 73' ' ' VAL . . . . . . . . . . . . . 16.3 m -143.18 147.64 20.22 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.456 179.917 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 74' ' ' GLN . . . . . . . . . . . . . 98.9 mm-40 56.13 19.51 3.84 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.609 179.996 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . 77.03 16.88 80.36 Favored Glycine 0 CA--C 1.523 0.584 0 N-CA-C 111.026 -0.83 . . . . 0.0 111.026 179.64 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 76' ' ' ARG . . . . . . . . . . . . . 96.5 mtt-85 -128.72 134.44 48.46 Favored 'General case' 0 N--CA 1.464 0.271 0 CA-C-O 120.913 0.387 . . . . 0.0 110.054 -179.907 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 63.1 tttm -104.27 104.08 13.93 Favored 'General case' 0 C--N 1.331 -0.203 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.495 179.9 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 78' ' ' TYR . . . . . . . . . . . . . 88.1 m-85 -90.82 -52.02 5.07 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.515 179.503 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 79' ' ' PHE . . . . . . . . . . . . . 3.2 p90 -156.76 161.97 39.77 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.338 -179.976 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 80' ' ' THR . . . . . . . . . . . . . 92.9 m -127.86 129.12 46.4 Favored 'General case' 0 N--CA 1.466 0.342 0 CA-C-N 116.085 -0.507 . . . . 0.0 110.678 179.978 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 81' ' ' CYS . . . . . . . . . . . . . 10.3 m -154.09 154.99 34.61 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.005 -0.543 . . . . 0.0 110.142 179.674 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 82' ' ' ASP . . . . . . . . . . . . . 90.9 m-20 -56.2 138.18 50.58 Favored 'General case' 0 C--O 1.237 0.403 0 CA-C-O 121.296 0.569 . . . . 0.0 110.399 -179.861 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 82.1 tt0 -57.9 131.37 50.2 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 115.845 -0.616 . . . . 0.0 109.926 -179.776 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 84' ' ' GLY . . . . . 0.463 ' O ' ' O ' ' A' ' 66' ' ' LYS . . . 115.46 -8.69 20.07 Favored Glycine 0 CA--C 1.523 0.548 0 N-CA-C 110.549 -1.02 . . . . 0.0 110.549 -179.753 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 85' ' ' HIS . . . . . 0.543 ' ND1' ' O ' ' A' ' 62' ' ' LEU . 14.2 m-70 -139.81 168.28 20.19 Favored 'General case' 0 N--CA 1.463 0.224 0 CA-C-O 120.707 0.289 . . . . 0.0 110.472 -179.966 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 86' ' ' GLY . . . . . . . . . . . . . . . 95.9 44.23 3.14 Favored Glycine 0 CA--C 1.522 0.523 0 N-CA-C 111.019 -0.833 . . . . 0.0 111.019 179.786 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 87' ' ' ILE . . . . . . . . . . . . . 7.2 tp -73.18 145.44 11.74 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.421 0 CA-C-O 120.745 0.307 . . . . 0.0 110.609 -179.855 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 88' ' ' PHE . . . . . 0.538 ' O ' ' CD2' ' A' ' 88' ' ' PHE . 52.3 p90 -92.83 121.3 34.07 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-O 120.907 0.384 . . . . 0.0 110.178 179.566 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 89' ' ' VAL . . . . . . . . . . . . . 11.9 m -138.3 167.26 21.95 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.085 -0.507 . . . . 0.0 110.404 -179.775 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 90' ' ' ARG . . . . . . . . . . . . . 86.7 mtm-85 -112.74 179.1 4.07 Favored 'General case' 0 N--CA 1.465 0.301 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.28 -179.854 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 91' ' ' GLN . . . . . 0.448 ' O ' ' O ' ' A' ' 94' ' ' ILE . 87.8 mt-30 -66.26 -32.34 73.7 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.048 -0.524 . . . . 0.0 110.497 179.792 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 10.7 t -61.56 -42.21 98.5 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.6 179.866 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 93' ' ' GLN . . . . . . . . . . . . . 7.8 mm100 -69.39 -38.39 77.95 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.518 -179.701 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 94' ' ' ILE . . . . . 0.448 ' O ' ' O ' ' A' ' 91' ' ' GLN . 96.4 mt -91.61 120.96 41.59 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.498 179.721 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 95' ' ' GLN . . . . . . . . . . . . . 98.8 mm-40 -107.83 114.95 29.27 Favored 'General case' 0 N--CA 1.465 0.288 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.131 179.406 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 96' ' ' VAL . . . . . . . . . . . . . 86.2 t -70.93 133.17 32.33 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 115.862 -0.608 . . . . 0.0 110.204 -179.846 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 97' ' ' PHE . . . . . . . . . . . . . 92.7 t80 . . . . . 0 C--O 1.219 -0.517 0 CA-C-O 118.141 -0.933 . . . . 0.0 110.453 179.856 . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' A' A ' 27' ' ' LEU . . . . . 0.524 HD12 ' C ' ' A' ' 27' ' ' LEU . 0.5 OUTLIER . . . . . 0 N--CA 1.49 1.562 0 N-CA-C 109.128 -0.693 . . . . 0.0 109.128 . . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 84.3 mtp180 -100.82 139.99 35.74 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 121.107 0.479 . . . . 0.0 110.673 179.969 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 7.5 p -66.41 134.13 30.32 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.382 0 CA-C-N 116.048 -0.524 . . . . 0.0 110.166 -179.97 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . 103.5 -17.77 49.66 Favored Glycine 0 CA--C 1.526 0.724 0 N-CA-C 110.747 -0.941 . . . . 0.0 110.747 -179.748 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 26.7 p -72.31 154.32 41.02 Favored 'General case' 0 C--N 1.329 -0.283 0 N-CA-C 110.179 -0.304 . . . . 0.0 110.179 179.895 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 76.0 ttt180 -112.83 123.76 51.05 Favored 'General case' 0 N--CA 1.464 0.271 0 CA-C-O 120.9 0.381 . . . . 0.0 110.483 179.876 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 2.9 m -143.97 167.55 12.21 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 115.954 -0.566 . . . . 0.0 110.264 -179.855 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 84.6 tt0 -108.79 120.5 42.68 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.023 179.041 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 47.0 t -62.74 143.43 15.47 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.181 -179.99 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 19.2 mm -81.33 130.76 35.3 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.441 0 CA-C-N 116.105 -0.498 . . . . 0.0 111.08 -179.302 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 92.82 -38.04 3.26 Favored Glycine 0 CA--C 1.523 0.555 0 N-CA-C 111.122 -0.791 . . . . 0.0 111.122 179.628 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 38' ' ' LYS . . . . . 0.403 ' HG2' ' H ' ' A' ' 39' ' ' GLY . 44.1 tttm -161.83 -136.23 0.03 OUTLIER 'General case' 0 C--N 1.327 -0.381 0 C-N-CA 120.965 -0.294 . . . . 0.0 110.353 179.813 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 39' ' ' GLY . . . . . 0.465 ' O ' ' O ' ' A' ' 40' ' ' HIS . . . 37.77 77.67 0.06 OUTLIER Glycine 0 CA--C 1.523 0.592 0 N-CA-C 111.221 -0.752 . . . . 0.0 111.221 179.852 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 40' ' ' HIS . . . . . 0.539 ' CG ' ' H ' ' A' ' 41' ' ' ARG . 32.2 t-80 -45.59 175.56 0.0 OUTLIER 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 120.888 0.375 . . . . 0.0 110.5 -179.685 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 41' ' ' ARG . . . . . 0.539 ' H ' ' CG ' ' A' ' 40' ' ' HIS . 84.4 mtp180 -46.15 140.5 3.89 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.677 -179.74 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -165.92 168.9 39.95 Favored Glycine 0 CA--C 1.522 0.513 0 N-CA-C 110.69 -0.964 . . . . 0.0 110.69 179.981 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 89.9 m -119.34 131.44 55.71 Favored 'General case' 0 N--CA 1.466 0.331 0 CA-C-O 120.902 0.382 . . . . 0.0 110.623 -179.808 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 95.8 t -65.97 129.92 30.77 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.02 -0.536 . . . . 0.0 109.826 -179.925 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 45' ' ' ALA . . . . . 0.498 ' HB2' HD13 ' A' ' 61' ' ' ILE . . . -112.19 -41.77 3.87 Favored 'General case' 0 N--CA 1.465 0.292 0 CA-C-N 116.288 -0.415 . . . . 0.0 110.707 -179.747 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 46' ' ' TYR . . . . . . . . . . . . . 88.4 t80 -136.8 129.78 30.89 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.394 -0.366 . . . . 0.0 110.797 -179.786 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 47' ' ' VAL . . . . . . . . . . . . . 1.6 p -129.64 124.92 60.32 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.234 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.442 179.669 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 160.96 -168.4 36.29 Favored Glycine 0 CA--C 1.519 0.333 0 N-CA-C 110.566 -1.014 . . . . 0.0 110.566 179.48 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -114.3 114.17 25.57 Favored 'General case' 0 N--CA 1.464 0.235 0 CA-C-O 120.872 0.368 . . . . 0.0 110.211 179.575 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 50' ' ' THR . . . . . 0.464 ' O ' ' O ' ' A' ' 53' ' ' ALA . 45.4 p -82.25 146.06 29.68 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.52 -179.956 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 63.4 mt -66.24 -22.0 66.31 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.55 179.962 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 52' ' ' PHE . . . . . . . . . . . . . 68.7 t80 -69.09 -28.67 66.71 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-N 116.136 -0.483 . . . . 0.0 110.723 -179.652 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 53' ' ' ALA . . . . . 0.464 ' O ' ' O ' ' A' ' 50' ' ' THR . . . -137.15 139.26 41.04 Favored 'General case' 0 N--CA 1.465 0.278 0 CA-C-O 120.96 0.409 . . . . 0.0 110.559 179.946 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 54' ' ' THR . . . . . 0.551 HG22 ' N ' ' A' ' 55' ' ' GLY . 43.3 m -79.36 161.1 26.42 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.661 -179.745 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 55' ' ' GLY . . . . . 0.551 ' N ' HG22 ' A' ' 54' ' ' THR . . . 86.35 -161.2 33.88 Favored Glycine 0 CA--C 1.52 0.374 0 N-CA-C 110.629 -0.988 . . . . 0.0 110.629 179.909 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 64.9 tttp -110.16 135.55 50.77 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-O 120.719 0.295 . . . . 0.0 110.427 179.882 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 57' ' ' TRP . . . . . . . . . . . . . 92.6 m95 -138.08 142.48 40.26 Favored 'General case' 0 C--O 1.234 0.277 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.177 179.998 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 58' ' ' VAL . . . . . . . . . . . . . 55.4 t -124.95 128.97 73.5 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.227 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.514 -179.943 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . -90.86 119.13 5.55 Favored Glycine 0 N--CA 1.459 0.213 0 N-CA-C 109.967 -1.253 . . . . 0.0 109.967 179.381 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 60' ' ' VAL . . . . . 0.453 ' C ' HD12 ' A' ' 61' ' ' ILE . 39.9 t -119.73 139.13 48.07 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.234 0 CA-C-O 121.103 0.478 . . . . 0.0 110.778 -179.345 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 61' ' ' ILE . . . . . 0.599 HD12 ' N ' ' A' ' 61' ' ' ILE . 1.7 mp -99.49 110.08 25.91 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.236 0 N-CA-C 108.943 -0.762 . . . . 0.0 108.943 178.92 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 62' ' ' LEU . . . . . 0.997 HD22 ' H ' ' A' ' 62' ' ' LEU . 0.4 OUTLIER -76.11 145.31 40.1 Favored 'General case' 0 C--N 1.322 -0.598 0 CA-C-N 115.62 -0.718 . . . . 0.0 111.244 -179.621 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 58.6 t0 -64.31 -36.49 84.27 Favored 'General case' 0 N--CA 1.449 -0.498 0 CA-C-N 115.729 -0.669 . . . . 0.0 110.303 179.879 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 97.9 mt-10 -91.47 177.59 6.19 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 115.994 -0.548 . . . . 0.0 110.374 179.871 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -79.73 100.24 7.81 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.827 -179.744 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 66' ' ' LYS . . . . . 0.458 ' O ' ' O ' ' A' ' 84' ' ' GLY . 13.7 tptt -103.26 107.29 18.06 Favored 'General case' 0 N--CA 1.466 0.365 0 N-CA-C 109.662 -0.496 . . . . 0.0 109.662 179.972 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . -42.76 103.21 0.04 OUTLIER Glycine 0 C--N 1.315 -0.595 0 C-N-CA 120.449 -0.881 . . . . 0.0 112.114 -179.252 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 29.0 tptp -166.14 134.71 3.01 Favored 'General case' 0 N--CA 1.449 -0.493 0 CA-C-N 115.041 -0.579 . . . . 0.0 110.889 179.185 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 69' ' ' ASN . . . . . . . . . . . . . 58.9 t30 -91.1 119.19 31.04 Favored 'General case' 0 C--O 1.232 0.168 0 CA-C-N 116.298 -0.41 . . . . 0.0 110.4 179.013 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 70' ' ' ASP . . . . . 0.551 ' OD2' ' N ' ' A' ' 81' ' ' CYS . 10.7 t70 -122.01 103.77 9.05 Favored 'General case' 0 N--CA 1.465 0.293 0 CA-C-N 116.408 -0.36 . . . . 0.0 110.549 179.755 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . 175.33 -154.12 17.11 Favored Glycine 0 CA--C 1.523 0.573 0 N-CA-C 110.897 -0.881 . . . . 0.0 110.897 179.887 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 72' ' ' THR . . . . . 0.427 ' H ' HG22 ' A' ' 72' ' ' THR . 0.0 OUTLIER -52.49 111.48 0.65 Allowed 'General case' 0 C--N 1.33 -0.265 0 CA-C-O 120.784 0.326 . . . . 0.0 110.228 -179.978 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 73' ' ' VAL . . . . . . . . . . . . . 13.7 p -121.14 134.3 64.97 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.237 0 CA-C-N 116.294 -0.412 . . . . 0.0 110.539 -179.795 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 74' ' ' GLN . . . . . . . . . . . . . 84.3 mm-40 55.76 19.38 3.4 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 115.974 -0.557 . . . . 0.0 110.804 -179.658 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . 85.38 0.48 88.35 Favored Glycine 0 CA--C 1.523 0.568 0 N-CA-C 111.167 -0.773 . . . . 0.0 111.167 179.753 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 76' ' ' ARG . . . . . . . . . . . . . 93.4 mtm-85 -105.64 123.13 47.41 Favored 'General case' 0 N--CA 1.463 0.203 0 CA-C-O 120.767 0.317 . . . . 0.0 110.274 179.707 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 65.1 tttm -105.29 90.3 3.38 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.253 -0.431 . . . . 0.0 110.131 179.731 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 78' ' ' TYR . . . . . . . . . . . . . 31.2 t80 -107.5 -27.4 10.43 Favored 'General case' 0 N--CA 1.465 0.307 0 CA-C-N 116.309 -0.405 . . . . 0.0 110.413 -179.905 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 79' ' ' PHE . . . . . . . . . . . . . 38.7 p90 -148.38 154.29 39.74 Favored 'General case' 0 C--N 1.331 -0.198 0 CA-C-N 116.333 -0.394 . . . . 0.0 110.646 -179.927 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 80' ' ' THR . . . . . . . . . . . . . 71.0 m -153.71 133.44 13.02 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.625 -179.916 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 81' ' ' CYS . . . . . 0.551 ' N ' ' OD2' ' A' ' 70' ' ' ASP . 8.8 t -142.41 178.21 7.74 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.341 -0.39 . . . . 0.0 110.31 -179.966 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 82' ' ' ASP . . . . . 0.511 ' O ' ' ND1' ' A' ' 85' ' ' HIS . 90.2 m-20 -66.99 142.55 57.2 Favored 'General case' 0 C--N 1.324 -0.529 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.594 -179.796 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 95.9 mt-10 -54.39 120.67 6.91 Favored 'General case' 0 CA--C 1.516 -0.357 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.13 179.945 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 84' ' ' GLY . . . . . 0.458 ' O ' ' O ' ' A' ' 66' ' ' LYS . . . 106.21 14.48 20.38 Favored Glycine 0 CA--C 1.526 0.764 0 N-CA-C 110.738 -0.945 . . . . 0.0 110.738 179.979 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 85' ' ' HIS . . . . . 0.537 ' N ' ' ND1' ' A' ' 85' ' ' HIS . 0.9 OUTLIER -136.77 169.13 18.24 Favored 'General case' 0 N--CA 1.464 0.254 0 O-C-N 122.644 -0.327 . . . . 0.0 110.671 179.992 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 86' ' ' GLY . . . . . . . . . . . . . . . 84.35 45.69 6.09 Favored Glycine 0 C--N 1.336 0.542 0 N-CA-C 111.177 -0.769 . . . . 0.0 111.177 179.69 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 87' ' ' ILE . . . . . 0.661 HG22 HD21 ' A' ' 62' ' ' LEU . 18.4 tt -83.36 130.34 35.94 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.345 0 CA-C-O 120.88 0.371 . . . . 0.0 110.43 -179.973 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 88' ' ' PHE . . . . . 0.412 ' CD1' ' O ' ' A' ' 88' ' ' PHE . 50.8 p90 -78.28 136.45 37.75 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.045 -0.525 . . . . 0.0 110.899 -179.588 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 89' ' ' VAL . . . . . . . . . . . . . 27.0 m -142.98 158.24 17.93 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.258 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.377 179.604 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 90' ' ' ARG . . . . . . . . . . . . . 83.8 mtp180 -84.8 158.17 20.76 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.48 179.857 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 91' ' ' GLN . . . . . . . . . . . . . 52.9 tt0 -62.05 -41.17 97.84 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.428 -179.849 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 59.5 m -68.44 -33.24 73.84 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.751 179.948 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 93' ' ' GLN . . . . . . . . . . . . . 64.5 tp60 -68.17 -40.08 82.38 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.617 -179.259 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 94' ' ' ILE . . . . . 0.506 HG23 ' O ' ' A' ' 94' ' ' ILE . 20.2 tt -93.81 127.66 45.7 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.26 0 CA-C-N 116.44 -0.345 . . . . 0.0 110.264 179.863 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 95' ' ' GLN . . . . . . . . . . . . . 51.5 tt0 -97.28 131.54 43.89 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.31 179.951 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 96' ' ' VAL . . . . . . . . . . . . . 6.1 p -67.77 138.86 21.85 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.026 -0.534 . . . . 0.0 110.522 -179.854 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 97' ' ' PHE . . . . . . . . . . . . . 80.5 t80 . . . . . 0 C--O 1.22 -0.471 0 CA-C-O 118.118 -0.944 . . . . 0.0 110.554 -179.955 . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 57.7 tp . . . . . 0 N--CA 1.491 1.579 0 N-CA-C 109.35 -0.611 . . . . 0.0 109.35 . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 87.4 mtm180 -136.02 153.0 51.5 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.264 -0.425 . . . . 0.0 110.663 -179.986 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 30.7 m -66.96 132.61 32.2 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.5 -179.981 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . 94.74 -9.1 71.11 Favored Glycine 0 CA--C 1.524 0.611 0 N-CA-C 110.996 -0.842 . . . . 0.0 110.996 179.956 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 35.9 m -71.88 138.97 48.59 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-O 120.916 0.388 . . . . 0.0 110.465 -179.936 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 13.7 ptm180 -97.46 125.71 42.29 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.54 -179.878 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 2.5 m -138.55 167.66 20.9 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.529 179.817 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 84.5 tt0 -108.74 114.1 27.62 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.357 179.428 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 11.1 t -61.78 146.28 12.24 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.458 -179.898 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 93.2 mt -81.04 131.5 33.76 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.956 -179.071 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 91.95 -39.8 2.99 Favored Glycine 0 CA--C 1.522 0.477 0 N-CA-C 111.231 -0.748 . . . . 0.0 111.231 179.055 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 38' ' ' LYS . . . . . 0.402 ' O ' ' C ' ' A' ' 39' ' ' GLY . 29.0 ttmt -163.02 -132.8 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.947 0.403 . . . . 0.0 110.536 179.756 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 39' ' ' GLY . . . . . 0.436 ' O ' ' O ' ' A' ' 40' ' ' HIS . . . 38.42 75.76 0.09 OUTLIER Glycine 0 CA--C 1.526 0.723 0 N-CA-C 111.112 -0.795 . . . . 0.0 111.112 179.567 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 40' ' ' HIS . . . . . 0.436 ' O ' ' O ' ' A' ' 39' ' ' GLY . 12.3 m-70 -46.92 177.63 0.0 OUTLIER 'General case' 0 C--N 1.327 -0.385 0 CA-C-O 120.828 0.347 . . . . 0.0 110.478 179.819 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 96.2 mtt180 -44.68 139.47 2.9 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.628 -179.483 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -165.71 154.2 24.71 Favored Glycine 0 CA--C 1.523 0.537 0 N-CA-C 110.939 -0.865 . . . . 0.0 110.939 179.977 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 16.6 p -100.67 140.74 34.52 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-O 120.753 0.311 . . . . 0.0 110.551 179.767 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 96.3 t -75.06 130.62 36.01 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.319 179.726 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -123.44 -28.88 3.87 Favored 'General case' 0 C--N 1.331 -0.203 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.622 -179.923 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 46' ' ' TYR . . . . . . . . . . . . . 68.8 t80 -136.99 120.92 17.59 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.288 -0.415 . . . . 0.0 110.646 -179.936 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 47' ' ' VAL . . . . . . . . . . . . . 2.2 p -130.53 123.22 54.67 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.416 179.806 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 160.25 -165.89 35.02 Favored Glycine 0 CA--C 1.522 0.501 0 N-CA-C 110.859 -0.896 . . . . 0.0 110.859 -179.991 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -105.55 137.29 43.63 Favored 'General case' 0 C--N 1.332 -0.193 0 CA-C-O 120.867 0.365 . . . . 0.0 110.46 179.756 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 50' ' ' THR . . . . . 0.466 ' O ' ' O ' ' A' ' 53' ' ' ALA . 31.8 p -111.22 145.19 39.15 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.638 -179.925 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 51' ' ' LEU . . . . . 0.469 ' CD2' HH12 ' A' ' 76' ' ' ARG . 33.0 tp -65.67 -21.17 66.53 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.493 179.988 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 52' ' ' PHE . . . . . . . . . . . . . 90.8 t80 -67.83 -27.9 67.1 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.549 -179.035 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 53' ' ' ALA . . . . . 0.466 ' O ' ' O ' ' A' ' 50' ' ' THR . . . -151.37 145.03 24.99 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.299 -0.409 . . . . 0.0 110.644 -179.939 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 54' ' ' THR . . . . . . . . . . . . . 12.9 p -83.08 170.2 15.07 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.28 -0.418 . . . . 0.0 110.588 -179.992 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . 89.09 -155.0 24.92 Favored Glycine 0 CA--C 1.523 0.565 0 N-CA-C 110.794 -0.923 . . . . 0.0 110.794 -179.695 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 42.9 tptt -112.78 124.76 53.32 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-O 120.97 0.414 . . . . 0.0 110.445 179.895 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 57' ' ' TRP . . . . . . . . . . . . . 97.9 m95 -126.47 141.19 51.97 Favored 'General case' 0 C--O 1.234 0.261 0 CA-C-N 116.251 -0.432 . . . . 0.0 110.611 179.919 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 58' ' ' VAL . . . . . . . . . . . . . 75.1 t -128.62 130.37 68.89 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.242 0 CA-C-N 116.305 -0.407 . . . . 0.0 110.558 179.979 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . -90.85 109.94 3.75 Favored Glycine 0 CA--C 1.525 0.717 0 N-CA-C 110.479 -1.049 . . . . 0.0 110.479 179.28 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 60' ' ' VAL . . . . . . . . . . . . . 11.0 t -105.98 134.52 47.29 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.248 0 CA-C-O 120.922 0.391 . . . . 0.0 110.952 -179.218 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 61' ' ' ILE . . . . . 0.413 ' N ' HD13 ' A' ' 61' ' ' ILE . 5.4 mm -91.6 94.26 4.75 Favored 'Isoleucine or valine' 0 N--CA 1.463 0.197 0 CA-C-N 116.173 -0.467 . . . . 0.0 109.992 179.457 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 62' ' ' LEU . . . . . 0.69 HD12 ' CB ' ' A' ' 66' ' ' LYS . 5.0 mt -68.38 135.48 51.85 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.083 -0.508 . . . . 0.0 110.71 -178.947 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 63.6 t0 -62.57 -40.94 98.47 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.424 179.866 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 64' ' ' GLU . . . . . 0.628 ' CD ' ' H ' ' A' ' 64' ' ' GLU . 0.9 OUTLIER -82.73 143.69 30.72 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.365 179.594 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -57.85 94.75 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.082 -0.508 . . . . 0.0 110.78 -179.628 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 66' ' ' LYS . . . . . 0.69 ' CB ' HD12 ' A' ' 62' ' ' LEU . 4.9 tptp -101.62 115.18 29.94 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 116.27 -0.423 . . . . 0.0 109.937 179.72 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . -44.29 105.51 0.08 OUTLIER Glycine 0 CA--C 1.519 0.296 0 C-N-CA 120.747 -0.74 . . . . 0.0 111.664 -178.483 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 6.1 tmtt? -171.54 129.52 0.68 Allowed 'General case' 0 C--N 1.331 -0.232 0 C-N-CA 121.064 -0.255 . . . . 0.0 110.508 179.639 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 69' ' ' ASN . . . . . . . . . . . . . 99.0 m-20 -85.11 120.54 26.72 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-O 120.988 0.423 . . . . 0.0 110.578 179.761 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 70' ' ' ASP . . . . . 0.499 ' OD1' ' N ' ' A' ' 81' ' ' CYS . 8.4 t70 -120.64 103.04 8.82 Favored 'General case' 0 C--N 1.332 -0.174 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.496 179.889 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . 179.71 -149.23 8.49 Favored Glycine 0 CA--C 1.526 0.721 0 N-CA-C 110.876 -0.89 . . . . 0.0 110.876 -179.757 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 72' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -63.53 125.88 25.68 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.806 0.336 . . . . 0.0 110.544 -179.636 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 73' ' ' VAL . . . . . . . . . . . . . 51.9 t -120.9 132.06 71.36 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.244 0 CA-C-N 116.297 -0.411 . . . . 0.0 110.407 -179.963 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 74' ' ' GLN . . . . . . . . . . . . . 97.3 mm-40 55.25 22.85 5.02 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.541 -179.905 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . 86.78 -0.41 86.48 Favored Glycine 0 CA--C 1.522 0.481 0 N-CA-C 110.956 -0.858 . . . . 0.0 110.956 179.9 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 76' ' ' ARG . . . . . 0.469 HH12 ' CD2' ' A' ' 51' ' ' LEU . 99.8 mtt180 -102.05 124.35 47.51 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-O 120.886 0.374 . . . . 0.0 110.503 -179.788 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 77.9 tttt -105.88 116.18 31.5 Favored 'General case' 0 C--N 1.331 -0.204 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.731 -179.813 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 78' ' ' TYR . . . . . . . . . . . . . 53.0 m-85 -122.3 -34.16 3.34 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.297 -0.411 . . . . 0.0 110.563 179.768 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 79' ' ' PHE . . . . . . . . . . . . . 8.2 p90 -154.1 152.73 30.78 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.586 179.956 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 80' ' ' THR . . . . . . . . . . . . . 91.9 m -136.73 132.84 35.39 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.771 -179.785 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 81' ' ' CYS . . . . . 0.499 ' N ' ' OD1' ' A' ' 70' ' ' ASP . 8.5 m -146.22 153.31 40.47 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.4 179.679 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 82' ' ' ASP . . . . . . . . . . . . . 96.9 m-20 -55.14 141.34 35.2 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.276 -0.42 . . . . 0.0 110.558 -179.535 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 97.5 mt-10 -52.32 139.32 24.62 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.524 179.875 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 84' ' ' GLY . . . . . 0.548 ' O ' ' N ' ' A' ' 66' ' ' LYS . . . 104.38 -14.05 51.13 Favored Glycine 0 CA--C 1.524 0.642 0 N-CA-C 110.866 -0.894 . . . . 0.0 110.866 -179.483 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 85' ' ' HIS . . . . . 0.754 ' ND1' ' N ' ' A' ' 85' ' ' HIS . 0.0 OUTLIER -124.68 166.66 15.74 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-O 120.841 0.353 . . . . 0.0 110.361 179.989 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 86' ' ' GLY . . . . . . . . . . . . . . . 84.53 69.21 1.37 Allowed Glycine 0 CA--C 1.52 0.384 0 N-CA-C 111.146 -0.782 . . . . 0.0 111.146 179.562 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 87' ' ' ILE . . . . . 0.501 HG21 HD11 ' A' ' 62' ' ' LEU . 12.5 tt -109.8 134.34 52.23 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-O 120.821 0.344 . . . . 0.0 110.562 179.939 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 88' ' ' PHE . . . . . . . . . . . . . 42.3 m-85 -80.55 134.45 35.93 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.52 -179.68 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 89' ' ' VAL . . . . . . . . . . . . . 35.6 m -135.88 158.88 39.46 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.202 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.445 179.997 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 90' ' ' ARG . . . . . . . . . . . . . 89.9 mtm180 -86.22 171.01 11.6 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.601 -179.958 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 91' ' ' GLN . . . . . . . . . . . . . 58.1 tt0 -64.14 -40.57 96.45 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.742 -179.758 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 78.1 p -68.77 -32.27 71.9 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.957 -179.595 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 93' ' ' GLN . . . . . . . . . . . . . 97.3 mt-30 -69.61 -43.13 73.37 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.062 -0.517 . . . . 0.0 110.955 -179.313 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 94' ' ' ILE . . . . . . . . . . . . . 20.5 tt -89.98 136.45 23.75 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.266 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.656 -179.819 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 95' ' ' GLN . . . . . . . . . . . . . 2.8 pt20 -135.84 155.48 50.26 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.518 179.725 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 96' ' ' VAL . . . . . 0.45 HG23 ' O ' ' A' ' 96' ' ' VAL . 26.5 m -85.03 128.44 38.99 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.411 179.871 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 97' ' ' PHE . . . . . . . . . . . . . 48.5 p90 . . . . . 0 C--O 1.22 -0.456 0 CA-C-O 117.909 -1.043 . . . . 0.0 110.633 -179.803 . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 55.7 tp . . . . . 0 N--CA 1.488 1.432 0 N-CA-C 109.159 -0.682 . . . . 0.0 109.159 . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 99.6 mtt180 -134.17 153.79 51.62 Favored 'General case' 0 N--CA 1.464 0.261 0 CA-C-O 121.143 0.497 . . . . 0.0 110.861 179.85 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 21.3 m -67.05 135.57 28.32 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.017 -0.538 . . . . 0.0 110.263 179.96 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . 91.55 -10.08 75.58 Favored Glycine 0 CA--C 1.526 0.719 0 N-CA-C 110.707 -0.957 . . . . 0.0 110.707 -179.767 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 13.4 p -74.8 154.77 38.16 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-O 120.769 0.319 . . . . 0.0 110.253 179.803 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 98.2 mtt180 -107.75 126.54 52.74 Favored 'General case' 0 N--CA 1.466 0.333 0 CA-C-N 116.378 -0.373 . . . . 0.0 110.308 -179.904 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 33' ' ' VAL . . . . . 0.424 HG23 ' N ' ' A' ' 34' ' ' GLU . 1.5 m -146.23 -172.78 0.39 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.051 -179.958 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 34' ' ' GLU . . . . . 0.424 ' N ' HG23 ' A' ' 33' ' ' VAL . 11.8 pt-20 -133.16 136.75 45.92 Favored 'General case' 0 N--CA 1.464 0.257 0 CA-C-N 116.039 -0.528 . . . . 0.0 110.258 179.24 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 35' ' ' VAL . . . . . 0.454 ' O ' ' O ' ' A' ' 38' ' ' LYS . 5.3 t -72.79 127.39 34.74 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.427 0 CA-C-O 121.41 0.624 . . . . 0.0 110.073 -179.763 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 95.8 mt -64.0 126.77 23.33 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.689 0 CA-C-N 115.963 -0.562 . . . . 0.0 111.013 -179.397 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 97.32 -36.91 3.66 Favored Glycine 0 CA--C 1.524 0.595 0 N-CA-C 111.252 -0.739 . . . . 0.0 111.252 179.439 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 38' ' ' LYS . . . . . 0.454 ' O ' ' O ' ' A' ' 35' ' ' VAL . 71.8 tttt -163.07 -135.33 0.03 OUTLIER 'General case' 0 C--N 1.331 -0.205 0 C-N-CA 120.664 -0.414 . . . . 0.0 110.267 179.919 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 39' ' ' GLY . . . . . 0.483 ' O ' ' O ' ' A' ' 40' ' ' HIS . . . 37.61 80.73 0.02 OUTLIER Glycine 0 CA--C 1.522 0.509 0 N-CA-C 111.082 -0.807 . . . . 0.0 111.082 179.577 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 40' ' ' HIS . . . . . 0.483 ' O ' ' O ' ' A' ' 39' ' ' GLY . 73.2 m80 -44.45 174.72 0.0 OUTLIER 'General case' 0 C--N 1.328 -0.352 0 CA-C-O 121.061 0.458 . . . . 0.0 110.643 -179.262 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 99.9 mtt180 -45.72 149.82 0.58 Allowed 'General case' 0 C--N 1.325 -0.471 0 CA-C-N 116.268 -0.424 . . . . 0.0 110.859 -179.246 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -168.25 176.19 42.77 Favored Glycine 0 CA--C 1.522 0.521 0 N-CA-C 110.857 -0.897 . . . . 0.0 110.857 -179.746 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 27.7 m -123.65 132.84 53.95 Favored 'General case' 0 N--CA 1.465 0.282 0 CA-C-O 120.853 0.358 . . . . 0.0 110.717 -179.427 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 95.5 t -72.34 132.47 33.34 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.073 -0.512 . . . . 0.0 110.071 179.996 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -127.78 -50.43 1.36 Allowed 'General case' 0 N--CA 1.465 0.285 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.753 -179.998 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 46' ' ' TYR . . . . . . . . . . . . . 70.3 t80 -111.86 127.66 55.9 Favored 'General case' 0 N--CA 1.465 0.316 0 CA-C-N 116.402 -0.363 . . . . 0.0 110.655 -179.819 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 47' ' ' VAL . . . . . 0.412 HG13 ' O ' ' A' ' 47' ' ' VAL . 4.7 p -132.79 123.53 49.02 Favored 'Isoleucine or valine' 0 N--CA 1.463 0.22 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.338 179.855 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 160.79 -166.99 35.72 Favored Glycine 0 CA--C 1.52 0.383 0 N-CA-C 110.633 -0.987 . . . . 0.0 110.633 179.644 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -112.15 119.19 37.55 Favored 'General case' 0 N--CA 1.463 0.218 0 CA-C-O 120.845 0.355 . . . . 0.0 110.485 179.692 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 12.1 p -92.14 152.07 20.08 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.353 179.731 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 51' ' ' LEU . . . . . 0.463 ' H ' HH22 ' A' ' 76' ' ' ARG . 74.7 mt -70.85 -13.53 62.07 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.388 -179.74 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 52' ' ' PHE . . . . . . . . . . . . . 69.9 t80 -70.56 -26.31 63.48 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.64 -179.879 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -151.43 148.32 27.95 Favored 'General case' 0 C--O 1.232 0.151 0 CA-C-N 116.391 -0.368 . . . . 0.0 110.362 -179.943 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 54' ' ' THR . . . . . . . . . . . . . 58.6 p -83.27 166.13 18.79 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.502 179.996 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . 87.25 -151.18 23.31 Favored Glycine 0 CA--C 1.523 0.532 0 N-CA-C 110.631 -0.988 . . . . 0.0 110.631 179.927 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 64.5 tttp -111.21 136.28 50.52 Favored 'General case' 0 C--N 1.331 -0.206 0 CA-C-O 120.825 0.345 . . . . 0.0 110.409 179.977 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 57' ' ' TRP . . . . . . . . . . . . . 91.3 m95 -135.96 135.62 39.71 Favored 'General case' 0 C--N 1.332 -0.164 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.079 179.972 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 58' ' ' VAL . . . . . . . . . . . . . 43.6 t -121.98 126.4 74.42 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.253 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.203 179.959 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . -86.24 107.79 3.21 Favored Glycine 0 CA--C 1.52 0.35 0 N-CA-C 110.166 -1.174 . . . . 0.0 110.166 179.773 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 60' ' ' VAL . . . . . . . . . . . . . 24.1 t -110.28 133.18 56.5 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.338 0 CA-C-O 121.105 0.479 . . . . 0.0 110.824 -179.397 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 61' ' ' ILE . . . . . 0.667 ' N ' HD12 ' A' ' 61' ' ' ILE . 1.6 mp -90.06 105.69 16.44 Favored 'Isoleucine or valine' 0 CA--C 1.516 -0.342 0 CA-C-N 115.972 -0.558 . . . . 0.0 109.563 179.333 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 62' ' ' LEU . . . . . 0.625 HD12 ' CB ' ' A' ' 66' ' ' LYS . 6.8 mt -76.68 146.86 37.82 Favored 'General case' 0 C--N 1.323 -0.562 0 CA-C-N 115.933 -0.576 . . . . 0.0 110.928 -179.215 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 45.0 t0 -71.58 -43.69 65.83 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.878 179.574 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 78.1 tt0 -79.09 151.93 31.12 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 116.28 -0.418 . . . . 0.0 110.367 -179.854 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -63.52 94.09 0.08 Allowed 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.721 -179.903 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 66' ' ' LYS . . . . . 0.625 ' CB ' HD12 ' A' ' 62' ' ' LEU . 5.5 tptp -103.74 112.97 26.15 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-O 121.53 0.681 . . . . 0.0 109.985 179.653 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . -45.61 104.7 0.07 OUTLIER Glycine 0 N--CA 1.445 -0.76 0 C-N-CA 120.421 -0.895 . . . . 0.0 112.405 -179.432 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 49.2 tptt -164.09 133.51 3.91 Favored 'General case' 0 C--N 1.323 -0.568 0 CA-C-N 115.341 -0.43 . . . . 0.0 110.804 178.815 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 69' ' ' ASN . . . . . . . . . . . . . 98.3 m-20 -82.65 120.63 25.8 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.514 179.035 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 70' ' ' ASP . . . . . 0.453 ' OD2' ' O ' ' A' ' 82' ' ' ASP . 27.8 p30 -121.73 108.11 13.14 Favored 'General case' 0 N--CA 1.467 0.385 0 CA-C-N 116.09 -0.504 . . . . 0.0 110.807 179.863 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . 175.55 -151.06 11.42 Favored Glycine 0 CA--C 1.521 0.468 0 N-CA-C 110.864 -0.894 . . . . 0.0 110.864 -179.979 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 72' ' ' THR . . . . . 0.456 ' O ' HG23 ' A' ' 72' ' ' THR . 4.3 t -67.74 121.48 16.03 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-O 120.758 0.313 . . . . 0.0 110.213 179.836 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 73' ' ' VAL . . . . . . . . . . . . . 85.9 t -120.12 131.8 71.49 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.325 0 CA-C-O 120.982 0.42 . . . . 0.0 110.396 179.883 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 74' ' ' GLN . . . . . . . . . . . . . 2.1 tp-100 57.44 21.33 6.83 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-N 115.935 -0.575 . . . . 0.0 110.409 -179.814 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . 82.03 7.8 87.39 Favored Glycine 0 CA--C 1.524 0.618 0 N-CA-C 110.951 -0.859 . . . . 0.0 110.951 -179.973 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 76' ' ' ARG . . . . . 0.463 HH22 ' H ' ' A' ' 51' ' ' LEU . 86.5 mtm180 -105.48 120.52 41.81 Favored 'General case' 0 N--CA 1.464 0.231 0 CA-C-O 120.787 0.327 . . . . 0.0 110.152 179.785 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 88.8 tttt -105.8 121.05 43.25 Favored 'General case' 0 C--N 1.331 -0.201 0 CA-C-N 116.253 -0.431 . . . . 0.0 110.233 179.789 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 78' ' ' TYR . . . . . . . . . . . . . 38.1 m-85 -122.52 -41.71 2.37 Favored 'General case' 0 N--CA 1.468 0.437 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.479 179.879 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 79' ' ' PHE . . . . . . . . . . . . . 54.3 p90 -154.46 158.17 39.53 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.378 -179.792 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 80' ' ' THR . . . . . . . . . . . . . 97.9 m -126.38 129.48 48.85 Favored 'General case' 0 N--CA 1.465 0.309 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.531 179.863 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 81' ' ' CYS . . . . . . . . . . . . . 9.0 t -140.16 159.78 41.42 Favored 'General case' 0 N--CA 1.463 0.221 0 CA-C-N 116.039 -0.528 . . . . 0.0 110.335 179.968 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 82' ' ' ASP . . . . . 0.453 ' O ' ' OD2' ' A' ' 70' ' ' ASP . 98.3 m-20 -68.32 137.28 54.52 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.624 -179.8 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 94.8 mt-10 -51.54 138.79 21.66 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.083 179.893 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 84' ' ' GLY . . . . . 0.53 ' O ' ' N ' ' A' ' 66' ' ' LYS . . . 113.48 -7.33 24.51 Favored Glycine 0 CA--C 1.524 0.648 0 N-CA-C 110.569 -1.012 . . . . 0.0 110.569 -179.799 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 85' ' ' HIS . . . . . 0.535 ' ND1' ' O ' ' A' ' 62' ' ' LEU . 10.6 m-70 -139.36 166.45 24.52 Favored 'General case' 0 C--N 1.33 -0.253 0 O-C-N 122.539 -0.389 . . . . 0.0 110.317 -179.811 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 86' ' ' GLY . . . . . . . . . . . . . . . 101.66 42.41 2.32 Favored Glycine 0 N--CA 1.464 0.502 0 N-CA-C 110.902 -0.879 . . . . 0.0 110.902 179.865 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 87' ' ' ILE . . . . . . . . . . . . . 3.3 tp -76.66 136.22 25.08 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.403 0 CA-C-O 120.721 0.295 . . . . 0.0 110.525 -179.861 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 88' ' ' PHE . . . . . . . . . . . . . 68.9 m-85 -88.91 119.86 29.81 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.992 0.425 . . . . 0.0 110.093 179.722 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 89' ' ' VAL . . . . . . . . . . . . . 16.5 m -132.64 164.55 34.8 Favored 'Isoleucine or valine' 0 N--CA 1.463 0.198 0 CA-C-N 115.877 -0.601 . . . . 0.0 110.381 -179.89 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 90' ' ' ARG . . . . . 0.402 ' H ' ' HG2' ' A' ' 90' ' ' ARG . 35.2 ptt180 -97.35 155.66 16.79 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 115.944 -0.571 . . . . 0.0 110.676 -179.846 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 91' ' ' GLN . . . . . . . . . . . . . 54.5 tt0 -58.6 -39.92 81.77 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.037 -0.529 . . . . 0.0 110.685 -179.313 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 95.9 p -55.11 -35.29 64.48 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 116.36 -0.382 . . . . 0.0 110.587 -179.86 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 93' ' ' GLN . . . . . . . . . . . . . 56.5 tt0 -78.48 -17.31 56.47 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.368 -0.378 . . . . 0.0 110.541 -179.945 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 94' ' ' ILE . . . . . . . . . . . . . 49.2 mm -100.34 130.74 49.1 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.331 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.515 179.878 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 95' ' ' GLN . . . . . . . . . . . . . 60.0 tt0 -138.1 119.57 14.89 Favored 'General case' 0 C--N 1.332 -0.191 0 CA-C-N 115.826 -0.624 . . . . 0.0 110.524 -179.883 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 96' ' ' VAL . . . . . . . . . . . . . 13.7 p -71.09 137.09 24.5 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.339 0 CA-C-N 116.051 -0.522 . . . . 0.0 110.278 179.897 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 97' ' ' PHE . . . . . . . . . . . . . 87.7 t80 . . . . . 0 C--O 1.219 -0.522 0 CA-C-O 117.971 -1.014 . . . . 0.0 110.429 -179.969 . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' A' A ' 27' ' ' LEU . . . . . 0.424 HD13 ' C ' ' A' ' 27' ' ' LEU . 0.2 OUTLIER . . . . . 0 N--CA 1.488 1.437 0 N-CA-C 109.594 -0.521 . . . . 0.0 109.594 . . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 60.5 ttp180 -61.92 141.8 57.79 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-N 115.914 -0.584 . . . . 0.0 110.278 -179.453 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 29' ' ' VAL . . . . . 0.435 ' O ' HG23 ' A' ' 29' ' ' VAL . 18.1 m -61.21 132.56 26.83 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.377 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.313 -179.635 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . 102.33 -26.59 23.68 Favored Glycine 0 CA--C 1.524 0.648 0 N-CA-C 110.884 -0.886 . . . . 0.0 110.884 -179.948 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 42.4 t -71.19 140.79 50.62 Favored 'General case' 0 C--O 1.237 0.419 0 CA-C-O 120.806 0.336 . . . . 0.0 110.539 179.885 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 47.1 ptt85 -114.08 125.55 54.1 Favored 'General case' 0 N--CA 1.465 0.31 0 CA-C-O 121.268 0.556 . . . . 0.0 110.584 -180.0 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 2.9 m -147.43 -170.01 0.23 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 115.869 -0.605 . . . . 0.0 110.103 -179.672 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 18.1 pt-20 -130.44 131.31 45.14 Favored 'General case' 0 N--CA 1.463 0.212 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.346 179.521 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 4.3 t -67.84 136.03 27.34 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 N-CA-C 109.809 -0.441 . . . . 0.0 109.809 179.831 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 95.2 mt -72.92 127.37 34.86 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.533 0 CA-C-N 116.058 -0.519 . . . . 0.0 111.051 -179.363 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 93.96 -39.33 2.94 Favored Glycine 0 CA--C 1.52 0.39 0 N-CA-C 111.28 -0.728 . . . . 0.0 111.28 179.32 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 96.5 mttt -154.31 -141.14 0.1 Allowed 'General case' 0 C--N 1.329 -0.29 0 N-CA-C 109.938 -0.393 . . . . 0.0 109.938 -179.579 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 39' ' ' GLY . . . . . 0.476 ' O ' ' O ' ' A' ' 40' ' ' HIS . . . 38.04 78.5 0.05 OUTLIER Glycine 0 CA--C 1.524 0.64 0 N-CA-C 111.538 -0.625 . . . . 0.0 111.538 -179.966 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 40' ' ' HIS . . . . . 0.569 ' CG ' ' NZ ' ' A' ' 66' ' ' LYS . 60.2 m170 -45.39 177.11 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 121.073 0.463 . . . . 0.0 110.655 179.873 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 41' ' ' ARG . . . . . 0.599 ' O ' HD13 ' A' ' 62' ' ' LEU . 99.8 mtt180 -48.71 142.02 6.62 Favored 'General case' 0 C--N 1.324 -0.529 0 CA-C-O 121.006 0.431 . . . . 0.0 110.838 -179.806 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -171.19 167.9 41.04 Favored Glycine 0 CA--C 1.526 0.723 0 N-CA-C 110.86 -0.896 . . . . 0.0 110.86 -179.922 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 95.7 m -117.89 134.18 55.19 Favored 'General case' 0 N--CA 1.467 0.407 0 CA-C-O 120.927 0.394 . . . . 0.0 110.553 -179.754 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 85.9 t -71.99 131.66 34.37 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.238 0 CA-C-N 115.904 -0.589 . . . . 0.0 110.203 -179.678 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -125.4 -47.65 1.72 Allowed 'General case' 0 N--CA 1.466 0.329 0 CA-C-N 116.351 -0.386 . . . . 0.0 110.59 -179.929 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 46' ' ' TYR . . . . . . . . . . . . . 74.2 t80 -115.56 120.77 40.57 Favored 'General case' 0 N--CA 1.465 0.317 0 CA-C-N 116.439 -0.346 . . . . 0.0 110.503 179.747 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 47' ' ' VAL . . . . . 0.558 ' O ' HG13 ' A' ' 47' ' ' VAL . 8.3 p -129.4 117.72 43.66 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.279 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.331 179.809 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 161.09 -176.44 37.67 Favored Glycine 0 CA--C 1.521 0.414 0 N-CA-C 110.63 -0.988 . . . . 0.0 110.63 179.863 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -97.39 146.79 24.84 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 120.688 0.28 . . . . 0.0 110.343 179.635 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 50' ' ' THR . . . . . 0.432 ' O ' ' O ' ' A' ' 53' ' ' ALA . 60.2 p -132.22 153.47 50.58 Favored 'General case' 0 N--CA 1.464 0.263 0 CA-C-O 120.947 0.403 . . . . 0.0 110.461 -179.888 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 59.5 mt -69.45 -18.64 63.74 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 115.953 -0.567 . . . . 0.0 110.426 -179.872 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 52' ' ' PHE . . . . . . . . . . . . . 84.7 t80 -69.35 -24.0 63.84 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.697 -179.623 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 53' ' ' ALA . . . . . 0.432 ' O ' ' O ' ' A' ' 50' ' ' THR . . . -147.9 142.61 26.68 Favored 'General case' 0 C--N 1.332 -0.175 0 CA-C-N 116.366 -0.379 . . . . 0.0 110.475 179.947 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 54' ' ' THR . . . . . . . . . . . . . 11.7 m -80.54 149.3 30.02 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.548 179.934 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . 86.38 -170.72 43.03 Favored Glycine 0 CA--C 1.521 0.442 0 N-CA-C 110.665 -0.974 . . . . 0.0 110.665 179.974 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 88.7 tttt -87.16 136.65 32.85 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 120.729 0.3 . . . . 0.0 110.486 179.786 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 57' ' ' TRP . . . . . . . . . . . . . 99.3 m95 -136.03 142.89 44.48 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.285 -0.416 . . . . 0.0 110.336 179.983 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 58' ' ' VAL . . . . . . . . . . . . . 19.4 t -125.39 127.8 72.13 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.37 0 CA-C-N 116.434 -0.348 . . . . 0.0 110.428 -179.708 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . -90.87 110.59 3.83 Favored Glycine 0 CA--C 1.518 0.259 0 N-CA-C 109.883 -1.287 . . . . 0.0 109.883 179.54 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 60' ' ' VAL . . . . . . . . . . . . . 40.8 t -109.76 135.18 49.52 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.314 0 CA-C-O 121.129 0.49 . . . . 0.0 110.651 -179.098 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 61' ' ' ILE . . . . . 0.622 HD12 ' N ' ' A' ' 61' ' ' ILE . 1.5 mp -90.55 107.24 18.25 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.249 0 CA-C-N 115.967 -0.561 . . . . 0.0 109.733 179.445 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 62' ' ' LEU . . . . . 0.599 HD13 ' O ' ' A' ' 41' ' ' ARG . 3.2 mm? -74.61 138.68 43.12 Favored 'General case' 0 C--N 1.32 -0.679 0 CA-C-N 115.858 -0.61 . . . . 0.0 111.03 -179.739 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 22.6 t0 -69.49 -37.98 77.47 Favored 'General case' 0 C--N 1.324 -0.511 0 CA-C-N 115.831 -0.622 . . . . 0.0 110.27 179.493 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 64' ' ' GLU . . . . . 0.491 ' OE1' ' N ' ' A' ' 64' ' ' GLU . 55.5 mp0 -88.86 170.65 10.54 Favored 'General case' 0 CA--C 1.521 -0.165 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.409 -179.96 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -70.23 96.24 1.08 Allowed 'General case' 0 C--N 1.326 -0.426 0 CA-C-N 116.413 -0.358 . . . . 0.0 110.899 -179.745 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 66' ' ' LYS . . . . . 0.569 ' NZ ' ' CG ' ' A' ' 40' ' ' HIS . 20.6 tptt -105.62 108.86 20.59 Favored 'General case' 0 C--N 1.332 -0.161 0 CA-C-O 121.186 0.517 . . . . 0.0 110.454 -179.937 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . -47.38 103.14 0.06 OUTLIER Glycine 0 C--N 1.316 -0.55 0 C-N-CA 120.677 -0.773 . . . . 0.0 112.323 -179.774 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 6.8 mmtt -171.38 132.99 0.8 Allowed 'General case' 0 C--N 1.328 -0.337 0 CA-C-O 120.855 0.359 . . . . 0.0 110.659 178.806 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 69' ' ' ASN . . . . . . . . . . . . . 64.2 t-20 -100.26 119.91 39.11 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.315 179.093 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 70' ' ' ASP . . . . . 0.472 ' OD2' ' CD1' ' A' ' 79' ' ' PHE . 2.8 t70 -121.14 102.6 8.42 Favored 'General case' 0 N--CA 1.466 0.363 0 CA-C-O 120.981 0.42 . . . . 0.0 110.284 179.66 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . -174.36 -149.01 6.85 Favored Glycine 0 CA--C 1.524 0.625 0 N-CA-C 110.959 -0.856 . . . . 0.0 110.959 179.939 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 72' ' ' THR . . . . . 0.427 HG22 ' H ' ' A' ' 72' ' ' THR . 0.0 OUTLIER -69.41 116.96 10.43 Favored 'General case' 0 C--N 1.329 -0.325 0 C-N-CA 120.979 -0.288 . . . . 0.0 110.381 179.955 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 73' ' ' VAL . . . . . . . . . . . . . 60.2 t -126.57 133.2 69.17 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.27 0 CA-C-O 121.126 0.489 . . . . 0.0 110.386 -179.898 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 74' ' ' GLN . . . . . 0.444 ' OE1' ' NH2' ' A' ' 76' ' ' ARG . 7.9 tt0 62.84 19.57 11.59 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-N 115.929 -0.578 . . . . 0.0 110.629 -179.997 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . 86.97 0.9 85.27 Favored Glycine 0 CA--C 1.525 0.682 0 N-CA-C 111.091 -0.803 . . . . 0.0 111.091 179.848 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 76' ' ' ARG . . . . . 0.444 ' NH2' ' OE1' ' A' ' 74' ' ' GLN . 94.3 mtm-85 -127.2 131.01 50.75 Favored 'General case' 0 N--CA 1.464 0.228 0 CA-C-O 120.921 0.391 . . . . 0.0 110.325 179.699 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 20.6 ptmt -106.18 131.6 53.24 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.028 -0.533 . . . . 0.0 110.605 179.907 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 78' ' ' TYR . . . . . . . . . . . . . 71.1 m-85 -113.94 -22.07 10.29 Favored 'General case' 0 N--CA 1.465 0.3 0 CA-C-N 116.31 -0.405 . . . . 0.0 110.157 179.773 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 79' ' ' PHE . . . . . 0.539 ' CZ ' ' CE1' ' A' ' 88' ' ' PHE . 0.1 OUTLIER -154.4 158.78 40.53 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.384 -179.835 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 80' ' ' THR . . . . . 0.618 HG23 ' O ' ' A' ' 80' ' ' THR . 12.1 t -128.29 119.29 24.82 Favored 'General case' 0 C--N 1.331 -0.213 0 CA-C-N 115.989 -0.551 . . . . 0.0 110.917 179.907 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 81' ' ' CYS . . . . . 0.428 ' SG ' ' O ' ' A' ' 80' ' ' THR . 6.2 m -159.85 141.85 13.14 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.031 179.104 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 82' ' ' ASP . . . . . . . . . . . . . 96.1 m-20 -59.37 143.15 50.4 Favored 'General case' 0 C--N 1.326 -0.445 0 CA-C-O 121.233 0.539 . . . . 0.0 110.662 -179.682 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 96.1 mt-10 -48.59 149.38 1.7 Allowed 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.014 -0.539 . . . . 0.0 110.089 179.767 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 84' ' ' GLY . . . . . 0.449 ' O ' ' N ' ' A' ' 66' ' ' LYS . . . 97.71 -11.49 64.6 Favored Glycine 0 CA--C 1.522 0.531 0 N-CA-C 110.442 -1.063 . . . . 0.0 110.442 -179.64 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 85' ' ' HIS . . . . . 0.558 ' CD2' ' O ' ' A' ' 62' ' ' LEU . 9.4 m80 -140.63 164.33 30.46 Favored 'General case' 0 N--CA 1.465 0.301 0 CA-C-O 120.592 0.234 . . . . 0.0 110.481 179.953 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 86' ' ' GLY . . . . . . . . . . . . . . . 91.03 64.41 1.19 Allowed Glycine 0 CA--C 1.52 0.373 0 N-CA-C 110.774 -0.93 . . . . 0.0 110.774 -179.905 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 87' ' ' ILE . . . . . . . . . . . . . 11.4 tt -102.79 138.49 26.87 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.241 0 CA-C-O 120.886 0.374 . . . . 0.0 110.525 -179.899 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 88' ' ' PHE . . . . . 0.539 ' CE1' ' CZ ' ' A' ' 79' ' ' PHE . 7.0 m-85 -84.16 124.26 30.96 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 115.995 -0.548 . . . . 0.0 110.377 -179.523 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 89' ' ' VAL . . . . . . . . . . . . . 17.6 m -132.84 158.27 43.23 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.227 0 CA-C-N 116.075 -0.511 . . . . 0.0 110.483 179.829 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 90' ' ' ARG . . . . . . . . . . . . . 94.9 mtt180 -86.13 162.45 18.38 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 115.96 -0.564 . . . . 0.0 110.312 -179.67 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 91' ' ' GLN . . . . . 0.42 ' O ' ' O ' ' A' ' 94' ' ' ILE . 56.3 tt0 -60.69 -38.67 85.77 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.45 -179.746 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 82.0 p -62.66 -35.2 78.89 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.709 -179.855 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 93' ' ' GLN . . . . . . . . . . . . . 87.7 mt-30 -69.37 -48.29 61.69 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.281 -0.418 . . . . 0.0 111.129 -179.47 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 94' ' ' ILE . . . . . 0.42 ' O ' ' O ' ' A' ' 91' ' ' GLN . 16.6 tt -91.99 134.82 29.02 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.387 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.696 -179.826 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 95' ' ' GLN . . . . . . . . . . . . . 47.2 tt0 -145.49 158.02 43.91 Favored 'General case' 0 C--N 1.331 -0.203 0 CA-C-N 116.286 -0.416 . . . . 0.0 110.196 179.946 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 96' ' ' VAL . . . . . 0.415 HG23 ' O ' ' A' ' 96' ' ' VAL . 24.0 m -106.2 132.53 53.1 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.235 0 CA-C-N 116.276 -0.42 . . . . 0.0 110.418 -179.931 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 97' ' ' PHE . . . . . . . . . . . . . 33.9 p90 . . . . . 0 C--O 1.219 -0.52 0 CA-C-O 117.968 -1.015 . . . . 0.0 110.39 179.932 . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 2.4 pp . . . . . 0 N--CA 1.49 1.532 0 N-CA-C 109.204 -0.665 . . . . 0.0 109.204 . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 78.2 mtp85 -136.0 145.34 46.0 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.553 179.705 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 4.9 p -65.93 132.64 31.48 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.258 0 CA-C-O 121.087 0.47 . . . . 0.0 110.434 179.845 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . 99.85 -16.03 58.94 Favored Glycine 0 CA--C 1.524 0.652 0 N-CA-C 110.855 -0.898 . . . . 0.0 110.855 179.858 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 27.8 t -73.68 145.25 45.39 Favored 'General case' 0 C--O 1.236 0.385 0 CA-C-O 121.002 0.43 . . . . 0.0 110.481 179.874 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 35.2 ptt-85 -103.23 123.96 47.73 Favored 'General case' 0 C--N 1.332 -0.16 0 CA-C-O 121.252 0.549 . . . . 0.0 110.554 179.846 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 3.0 m -146.1 163.06 10.37 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.604 179.673 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 34' ' ' GLU . . . . . 0.402 ' O ' ' CG ' ' A' ' 34' ' ' GLU . 18.6 pt-20 -106.58 126.12 51.87 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.324 -0.398 . . . . 0.0 110.501 178.979 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 35' ' ' VAL . . . . . 0.429 ' O ' ' O ' ' A' ' 38' ' ' LYS . 5.1 t -64.23 129.49 28.16 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.348 0 CA-C-O 121.045 0.45 . . . . 0.0 110.377 -179.853 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 15.2 mm -66.1 124.9 22.17 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.407 0 CA-C-N 116.108 -0.496 . . . . 0.0 111.163 -179.3 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 98.92 -36.63 3.91 Favored Glycine 0 CA--C 1.523 0.56 0 N-CA-C 111.414 -0.674 . . . . 0.0 111.414 179.76 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 38' ' ' LYS . . . . . 0.445 ' HG2' ' H ' ' A' ' 39' ' ' GLY . 46.3 tttm -163.34 -135.1 0.03 OUTLIER 'General case' 0 C--N 1.328 -0.346 0 CA-C-O 121.068 0.461 . . . . 0.0 110.786 -179.814 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 39' ' ' GLY . . . . . 0.468 ' O ' ' O ' ' A' ' 40' ' ' HIS . . . 38.51 79.65 0.04 OUTLIER Glycine 0 CA--C 1.526 0.736 0 N-CA-C 110.812 -0.915 . . . . 0.0 110.812 179.662 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 40' ' ' HIS . . . . . 0.468 ' O ' ' O ' ' A' ' 39' ' ' GLY . 0.5 OUTLIER -45.92 175.03 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.882 0.372 . . . . 0.0 110.425 -179.346 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 41' ' ' ARG . . . . . 0.622 ' O ' HD13 ' A' ' 62' ' ' LEU . 85.2 mtp180 -46.12 138.33 5.34 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.661 -179.702 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -167.33 170.27 41.49 Favored Glycine 0 CA--C 1.52 0.389 0 N-CA-C 110.806 -0.917 . . . . 0.0 110.806 -179.911 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 67.7 m -117.69 131.8 56.58 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-O 120.807 0.337 . . . . 0.0 110.722 -179.79 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 44' ' ' VAL . . . . . 0.429 HG22 ' H ' ' A' ' 44' ' ' VAL . 2.5 m -70.42 114.14 7.64 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.238 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.468 -179.669 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 45' ' ' ALA . . . . . 0.425 ' HB2' HD13 ' A' ' 61' ' ' ILE . . . -90.03 -47.9 7.54 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.721 179.914 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 46' ' ' TYR . . . . . . . . . . . . . 88.1 t80 -144.23 132.94 22.37 Favored 'General case' 0 CA--C 1.519 -0.214 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.562 -179.698 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 47' ' ' VAL . . . . . . . . . . . . . 1.3 p -123.67 121.41 62.39 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.206 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.465 179.639 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 158.81 -159.33 30.18 Favored Glycine 0 CA--C 1.52 0.349 0 N-CA-C 110.658 -0.977 . . . . 0.0 110.658 179.441 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -116.62 152.59 33.9 Favored 'General case' 0 C--O 1.233 0.21 0 CA-C-O 120.966 0.412 . . . . 0.0 110.413 179.528 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 50' ' ' THR . . . . . 0.442 ' O ' ' O ' ' A' ' 53' ' ' ALA . 62.3 p -128.89 155.68 44.88 Favored 'General case' 0 C--N 1.333 -0.142 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.6 -179.877 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 64.7 mt -69.23 -19.24 63.94 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.524 -179.879 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 52' ' ' PHE . . . . . . . . . . . . . 71.7 t80 -70.81 -26.28 63.24 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.534 -179.684 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 53' ' ' ALA . . . . . 0.442 ' O ' ' O ' ' A' ' 50' ' ' THR . . . -145.36 141.61 28.64 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.443 -179.805 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 54' ' ' THR . . . . . . . . . . . . . 11.2 p -81.37 164.33 22.21 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.695 -179.785 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . 85.99 -151.01 24.46 Favored Glycine 0 CA--C 1.519 0.314 0 N-CA-C 110.915 -0.874 . . . . 0.0 110.915 179.824 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 87.4 tttt -133.58 131.9 40.22 Favored 'General case' 0 C--N 1.333 -0.152 0 CA-C-O 121.056 0.455 . . . . 0.0 110.33 179.849 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 57' ' ' TRP . . . . . . . . . . . . . 0.0 OUTLIER -141.59 159.34 42.41 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.485 179.836 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 58' ' ' VAL . . . . . . . . . . . . . 61.9 t -125.84 129.77 72.47 Favored 'Isoleucine or valine' 0 CA--C 1.521 -0.143 0 CA-C-N 116.02 -0.536 . . . . 0.0 110.931 179.586 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . -83.64 112.93 3.63 Favored Glycine 0 CA--C 1.521 0.422 0 N-CA-C 110.315 -1.114 . . . . 0.0 110.315 179.724 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 60' ' ' VAL . . . . . 0.472 ' C ' HD12 ' A' ' 61' ' ' ILE . 40.1 t -117.37 134.22 61.64 Favored 'Isoleucine or valine' 0 C--O 1.234 0.249 0 CA-C-O 121.353 0.597 . . . . 0.0 110.93 -179.376 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 61' ' ' ILE . . . . . 0.654 HD12 ' N ' ' A' ' 61' ' ' ILE . 1.6 mp -95.84 109.41 22.62 Favored 'Isoleucine or valine' 0 CA--C 1.531 0.22 0 CA-C-N 115.937 -0.574 . . . . 0.0 109.901 179.416 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 62' ' ' LEU . . . . . 0.622 HD13 ' O ' ' A' ' 41' ' ' ARG . 3.2 mm? -73.21 134.99 44.52 Favored 'General case' 0 C--N 1.325 -0.486 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.57 179.908 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 46.9 t0 -67.44 -37.5 83.08 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.072 -0.513 . . . . 0.0 110.328 179.684 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 80.6 mm-40 -88.4 167.8 13.18 Favored 'General case' 0 C--N 1.331 -0.207 0 CA-C-N 116.246 -0.433 . . . . 0.0 110.303 179.979 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -67.48 95.56 0.47 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.866 -179.935 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 66' ' ' LYS . . . . . 0.471 ' N ' ' O ' ' A' ' 84' ' ' GLY . 20.0 tptt -108.48 109.08 20.26 Favored 'General case' 0 CA--C 1.53 0.177 0 CA-C-N 116.335 -0.393 . . . . 0.0 110.123 179.746 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . -46.36 105.07 0.08 OUTLIER Glycine 0 N--CA 1.449 -0.485 0 C-N-CA 120.725 -0.75 . . . . 0.0 112.22 -179.705 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 68' ' ' LYS . . . . . 0.413 ' HG3' HD13 ' A' ' 87' ' ' ILE . 6.1 tmtt? -167.85 132.69 1.83 Allowed 'General case' 0 C--N 1.329 -0.302 0 C-N-CA 121.185 -0.206 . . . . 0.0 110.544 179.412 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 69' ' ' ASN . . . . . . . . . . . . . 32.3 m120 -89.26 120.64 30.8 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-O 120.949 0.404 . . . . 0.0 110.806 179.677 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 50.4 t0 -122.22 102.43 8.12 Favored 'General case' 0 C--O 1.232 0.181 0 CA-C-N 116.301 -0.409 . . . . 0.0 110.697 179.776 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . -177.55 -160.8 24.84 Favored Glycine 0 CA--C 1.524 0.629 0 N-CA-C 110.897 -0.881 . . . . 0.0 110.897 179.758 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 72' ' ' THR . . . . . 0.476 HG22 ' H ' ' A' ' 72' ' ' THR . 0.0 OUTLIER -67.28 126.72 30.13 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-O 121.008 0.432 . . . . 0.0 110.393 -179.916 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 73' ' ' VAL . . . . . . . . . . . . . 3.1 t -121.15 125.21 73.61 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.2 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.392 179.871 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 74' ' ' GLN . . . . . . . . . . . . . 45.7 tp60 53.44 29.23 8.58 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.48 179.897 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . 84.68 1.41 89.1 Favored Glycine 0 CA--C 1.521 0.438 0 N-CA-C 110.891 -0.884 . . . . 0.0 110.891 179.944 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 76' ' ' ARG . . . . . . . . . . . . . 6.4 mmp_? -95.29 114.06 25.8 Favored 'General case' 0 C--N 1.331 -0.207 0 CA-C-O 121.088 0.471 . . . . 0.0 110.364 -179.947 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 85.8 tttt -103.13 94.09 5.35 Favored 'General case' 0 CA--C 1.52 -0.203 0 CA-C-O 121.039 0.447 . . . . 0.0 110.516 -179.803 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 78' ' ' TYR . . . . . . . . . . . . . 48.4 m-85 -123.25 -23.65 4.84 Favored 'General case' 0 C--O 1.232 0.182 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.491 179.856 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 79' ' ' PHE . . . . . . . . . . . . . 67.9 m-85 -129.91 146.58 51.62 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-O 121.03 0.443 . . . . 0.0 110.284 -179.951 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 80' ' ' THR . . . . . 0.675 HG23 ' O ' ' A' ' 80' ' ' THR . 15.1 t -151.9 114.83 4.67 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.546 179.648 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 81' ' ' CYS . . . . . . . . . . . . . 6.5 t -160.39 155.9 25.28 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.454 179.725 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 82' ' ' ASP . . . . . . . . . . . . . 92.5 m-20 -61.26 139.5 58.14 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.266 -0.424 . . . . 0.0 110.727 179.912 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 98.1 mt-10 -48.58 133.98 16.16 Favored 'General case' 0 CA--C 1.519 -0.223 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.413 -179.891 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 84' ' ' GLY . . . . . 0.471 ' O ' ' N ' ' A' ' 66' ' ' LYS . . . 115.81 -3.05 21.33 Favored Glycine 0 CA--C 1.524 0.611 0 N-CA-C 110.654 -0.979 . . . . 0.0 110.654 -179.644 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 85' ' ' HIS . . . . . 0.505 ' ND1' ' O ' ' A' ' 62' ' ' LEU . 6.7 m-70 -145.04 166.99 23.74 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-O 120.919 0.39 . . . . 0.0 110.352 179.775 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 86' ' ' GLY . . . . . . . . . . . . . . . 108.62 43.61 1.22 Allowed Glycine 0 CA--C 1.524 0.615 0 N-CA-C 110.978 -0.849 . . . . 0.0 110.978 179.93 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 87' ' ' ILE . . . . . 0.413 HD13 ' HG3' ' A' ' 68' ' ' LYS . 3.7 mm -80.02 142.3 14.12 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.406 0 CA-C-O 121.026 0.441 . . . . 0.0 110.509 179.548 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 88' ' ' PHE . . . . . . . . . . . . . 88.3 m-85 -101.29 118.53 37.15 Favored 'General case' 0 C--O 1.234 0.276 0 CA-C-O 120.988 0.423 . . . . 0.0 110.195 -179.946 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 89' ' ' VAL . . . . . . . . . . . . . 33.3 m -127.08 160.33 35.97 Favored 'Isoleucine or valine' 0 CA--C 1.518 -0.279 0 CA-C-N 116.283 -0.417 . . . . 0.0 110.665 -179.911 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 90' ' ' ARG . . . . . . . . . . . . . 82.4 mtp180 -90.98 165.46 13.54 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.516 -179.806 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 91' ' ' GLN . . . . . . . . . . . . . 2.8 pt20 -60.52 -38.11 83.34 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.314 -0.403 . . . . 0.0 110.597 -179.923 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 36.8 t -66.25 -36.3 82.65 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 116.297 -0.411 . . . . 0.0 110.663 -179.797 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 93' ' ' GLN . . . . . . . . . . . . . 15.8 mm100 -68.71 -48.01 64.93 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.766 -179.266 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 94' ' ' ILE . . . . . 0.421 ' O ' HG23 ' A' ' 94' ' ' ILE . 20.0 tt -91.14 133.19 33.59 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.343 0 CA-C-O 120.934 0.397 . . . . 0.0 110.753 -179.859 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 95' ' ' GLN . . . . . . . . . . . . . 20.1 mm100 -132.69 157.93 43.62 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-O 121.022 0.439 . . . . 0.0 110.427 -179.932 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 96' ' ' VAL . . . . . . . . . . . . . 4.1 p -118.26 131.55 70.7 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.169 0 CA-C-O 121.048 0.452 . . . . 0.0 110.319 -179.88 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 97' ' ' PHE . . . . . . . . . . . . . 52.7 p90 . . . . . 0 C--O 1.221 -0.447 0 CA-C-O 117.932 -1.032 . . . . 0.0 110.63 -179.934 . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 50.4 tp . . . . . 0 N--CA 1.488 1.475 0 N-CA-C 109.343 -0.614 . . . . 0.0 109.343 . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 99.6 mtt180 -136.3 160.52 38.45 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.957 0.408 . . . . 0.0 110.787 179.671 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 29' ' ' VAL . . . . . 0.433 ' O ' HG23 ' A' ' 29' ' ' VAL . 18.8 m -64.49 131.92 30.27 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.377 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.201 -179.877 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . 97.04 -6.79 64.25 Favored Glycine 0 CA--C 1.525 0.674 0 N-CA-C 110.931 -0.868 . . . . 0.0 110.931 -179.755 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 27.2 m -67.55 141.27 56.89 Favored 'General case' 0 C--N 1.33 -0.244 0 C-N-CA 120.994 -0.282 . . . . 0.0 110.241 179.964 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 39.0 mtp180 -101.35 120.92 40.99 Favored 'General case' 0 N--CA 1.465 0.285 0 CA-C-N 116.507 -0.315 . . . . 0.0 110.264 179.741 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 1.5 m -149.17 175.9 1.02 Allowed 'Isoleucine or valine' 0 C--N 1.331 -0.225 0 CA-C-N 115.872 -0.604 . . . . 0.0 109.947 -179.97 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 10.4 pt-20 -121.14 133.95 55.22 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.231 179.205 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 35' ' ' VAL . . . . . 0.475 ' O ' ' O ' ' A' ' 38' ' ' LYS . 4.7 t -73.65 123.45 28.78 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.386 0 CA-C-O 121.418 0.628 . . . . 0.0 110.291 -179.885 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 5.1 mm -66.73 127.34 28.0 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.825 0 CA-C-N 116.119 -0.492 . . . . 0.0 110.738 -179.449 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 98.83 -35.86 4.39 Favored Glycine 0 CA--C 1.522 0.482 0 N-CA-C 110.82 -0.912 . . . . 0.0 110.82 179.691 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 38' ' ' LYS . . . . . 0.475 ' O ' ' O ' ' A' ' 35' ' ' VAL . 23.7 ttpt -162.46 -138.62 0.04 OUTLIER 'General case' 0 C--N 1.331 -0.199 0 C-N-CA 120.688 -0.405 . . . . 0.0 110.243 -179.924 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 39' ' ' GLY . . . . . 0.472 ' O ' ' O ' ' A' ' 40' ' ' HIS . . . 35.75 78.51 0.04 OUTLIER Glycine 0 C--N 1.336 0.541 0 N-CA-C 111.074 -0.81 . . . . 0.0 111.074 179.527 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 40' ' ' HIS . . . . . 0.564 ' CG ' ' H ' ' A' ' 41' ' ' ARG . 13.7 t-80 -45.17 174.71 0.0 OUTLIER 'General case' 0 C--N 1.327 -0.406 0 CA-C-O 120.913 0.387 . . . . 0.0 110.499 -179.293 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 41' ' ' ARG . . . . . 0.564 ' H ' ' CG ' ' A' ' 40' ' ' HIS . 90.4 mtm180 -45.82 143.09 2.23 Favored 'General case' 0 C--N 1.325 -0.48 0 CA-C-N 116.345 -0.389 . . . . 0.0 110.706 -179.473 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -173.73 -176.13 41.95 Favored Glycine 0 CA--C 1.525 0.666 0 N-CA-C 110.658 -0.977 . . . . 0.0 110.658 -179.895 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 17.6 m -126.07 137.68 53.64 Favored 'General case' 0 N--CA 1.466 0.357 0 CA-C-O 120.735 0.302 . . . . 0.0 110.516 -179.664 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 44' ' ' VAL . . . . . 0.45 ' H ' HG22 ' A' ' 44' ' ' VAL . 2.1 m -74.62 115.53 15.98 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-O 120.974 0.416 . . . . 0.0 110.252 -179.857 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 45' ' ' ALA . . . . . 0.481 ' HB2' HD13 ' A' ' 61' ' ' ILE . . . -98.3 -48.78 4.94 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.501 179.879 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 46' ' ' TYR . . . . . . . . . . . . . 78.6 t80 -124.03 126.05 45.6 Favored 'General case' 0 N--CA 1.467 0.382 0 CA-C-N 116.396 -0.365 . . . . 0.0 110.616 -179.815 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 47' ' ' VAL . . . . . . . . . . . . . 2.8 p -134.39 121.57 37.2 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.27 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.471 179.886 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 160.34 -173.94 37.0 Favored Glycine 0 CA--C 1.52 0.35 0 N-CA-C 110.676 -0.969 . . . . 0.0 110.676 179.496 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -96.82 145.62 25.67 Favored 'General case' 0 C--N 1.328 -0.332 0 N-CA-C 110.1 -0.333 . . . . 0.0 110.1 179.461 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 71.7 p -129.88 147.48 51.65 Favored 'General case' 0 N--CA 1.465 0.292 0 CA-C-O 120.955 0.407 . . . . 0.0 110.369 -179.97 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 75.6 mt -69.59 -13.47 62.34 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-N 116.008 -0.542 . . . . 0.0 110.555 -179.64 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 52' ' ' PHE . . . . . . . . . . . . . 63.6 t80 -69.25 -28.55 66.42 Favored 'General case' 0 C--N 1.327 -0.413 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.6 -179.832 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -151.49 154.15 36.0 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-N 116.465 -0.334 . . . . 0.0 110.517 -179.909 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 54' ' ' THR . . . . . . . . . . . . . 70.2 p -80.54 159.9 25.35 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.287 -0.415 . . . . 0.0 110.448 179.998 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . 87.2 -154.02 25.96 Favored Glycine 0 CA--C 1.522 0.495 0 N-CA-C 110.486 -1.046 . . . . 0.0 110.486 -179.881 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 36.0 ttmt -117.38 118.44 32.25 Favored 'General case' 0 CA--C 1.52 -0.184 0 CA-C-O 120.766 0.317 . . . . 0.0 110.409 179.891 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 57' ' ' TRP . . . . . . . . . . . . . 6.5 m0 -104.23 137.22 42.47 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.216 -179.916 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 58' ' ' VAL . . . . . . . . . . . . . 47.6 t -128.89 123.31 58.75 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.23 0 CA-C-N 115.956 -0.565 . . . . 0.0 110.469 179.859 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . -89.44 117.71 5.02 Favored Glycine 0 CA--C 1.519 0.33 0 N-CA-C 109.919 -1.272 . . . . 0.0 109.919 179.527 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 60' ' ' VAL . . . . . 0.412 ' C ' HD12 ' A' ' 61' ' ' ILE . 56.1 t -114.3 137.27 48.15 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.32 0 CA-C-O 121.441 0.639 . . . . 0.0 110.744 -179.359 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 61' ' ' ILE . . . . . 0.552 HD12 ' N ' ' A' ' 61' ' ' ILE . 1.7 mp -98.67 114.94 37.79 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 N-CA-C 109.339 -0.615 . . . . 0.0 109.339 179.625 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 62' ' ' LEU . . . . . 0.987 HD22 ' H ' ' A' ' 62' ' ' LEU . 0.5 OUTLIER -77.1 143.06 39.47 Favored 'General case' 0 C--N 1.323 -0.557 0 CA-C-N 115.574 -0.739 . . . . 0.0 110.708 -179.869 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 90.9 m-20 -62.62 -44.43 96.3 Favored 'General case' 0 N--CA 1.448 -0.559 0 CA-C-N 115.531 -0.759 . . . . 0.0 110.575 -179.914 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 18.7 pt-20 -93.3 167.35 11.8 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.112 179.646 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -55.46 135.6 50.39 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 116.333 -0.394 . . . . 0.0 110.63 -179.802 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 66' ' ' LYS . . . . . 0.429 ' O ' ' O ' ' A' ' 84' ' ' GLY . 11.1 tptm -143.99 104.6 4.17 Favored 'General case' 0 C--O 1.225 -0.19 0 CA-C-O 121.26 0.552 . . . . 0.0 110.101 179.787 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . -44.28 103.09 0.04 OUTLIER Glycine 0 C--N 1.316 -0.547 0 C-N-CA 120.468 -0.872 . . . . 0.0 112.015 -179.221 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 28.3 tptp -169.3 131.82 1.22 Allowed 'General case' 0 C--N 1.325 -0.465 0 CA-C-N 115.119 -0.54 . . . . 0.0 110.789 179.011 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 69' ' ' ASN . . . . . 0.443 ' OD1' ' O ' ' A' ' 69' ' ' ASN . 35.2 p-10 -94.37 121.52 35.98 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.317 179.031 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 70' ' ' ASP . . . . . 0.483 ' OD2' ' N ' ' A' ' 81' ' ' CYS . 9.3 t70 -120.92 104.66 10.0 Favored 'General case' 0 N--CA 1.465 0.325 0 CA-C-N 116.311 -0.404 . . . . 0.0 110.369 179.95 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . -176.96 -151.99 9.48 Favored Glycine 0 CA--C 1.523 0.592 0 N-CA-C 110.892 -0.883 . . . . 0.0 110.892 -179.989 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 72' ' ' THR . . . . . 0.442 HG22 ' H ' ' A' ' 72' ' ' THR . 0.0 OUTLIER -66.46 111.59 3.65 Favored 'General case' 0 C--N 1.327 -0.409 0 N-CA-C 110.141 -0.318 . . . . 0.0 110.141 179.98 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 73' ' ' VAL . . . . . . . . . . . . . 78.6 t -118.21 129.14 74.98 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.231 0 CA-C-O 121.0 0.428 . . . . 0.0 110.23 -179.952 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 74' ' ' GLN . . . . . . . . . . . . . 37.1 tp60 55.35 21.54 4.26 Favored 'General case' 0 C--N 1.325 -0.46 0 CA-C-N 115.89 -0.596 . . . . 0.0 110.413 179.938 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . 83.13 4.53 89.75 Favored Glycine 0 CA--C 1.523 0.533 0 N-CA-C 111.021 -0.832 . . . . 0.0 111.021 -179.848 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 76' ' ' ARG . . . . . . . . . . . . . 6.7 mmp_? -103.09 121.75 43.24 Favored 'General case' 0 CA--C 1.521 -0.169 0 CA-C-O 120.767 0.317 . . . . 0.0 110.597 179.919 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 89.0 tttt -105.82 89.89 3.22 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.113 179.48 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 78' ' ' TYR . . . . . . . . . . . . . 36.7 m-85 -108.45 -28.29 9.44 Favored 'General case' 0 N--CA 1.466 0.333 0 CA-C-N 116.298 -0.41 . . . . 0.0 110.5 179.876 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 79' ' ' PHE . . . . . . . . . . . . . 4.4 p90 -144.6 152.88 41.15 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.343 -0.389 . . . . 0.0 110.577 -179.869 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 80' ' ' THR . . . . . . . . . . . . . 53.5 m -147.85 125.5 11.81 Favored 'General case' 0 C--N 1.331 -0.206 0 CA-C-N 115.92 -0.582 . . . . 0.0 110.646 179.85 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 81' ' ' CYS . . . . . 0.483 ' N ' ' OD2' ' A' ' 70' ' ' ASP . 5.6 t -155.25 157.67 37.63 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 116.097 -0.501 . . . . 0.0 110.283 179.662 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 82' ' ' ASP . . . . . . . . . . . . . 98.8 m-20 -60.69 140.19 57.59 Favored 'General case' 0 C--O 1.236 0.378 0 CA-C-O 121.293 0.568 . . . . 0.0 110.521 -179.914 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 81.6 tt0 -48.16 138.28 9.67 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 115.922 -0.581 . . . . 0.0 110.076 -179.863 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 84' ' ' GLY . . . . . 0.429 ' O ' ' O ' ' A' ' 66' ' ' LYS . . . 103.83 -3.63 45.53 Favored Glycine 0 CA--C 1.523 0.593 0 N-CA-C 110.613 -0.995 . . . . 0.0 110.613 -179.721 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 85' ' ' HIS . . . . . . . . . . . . . 49.9 m-70 -141.99 165.17 28.18 Favored 'General case' 0 N--CA 1.463 0.199 0 C-N-CA 121.166 -0.213 . . . . 0.0 110.814 179.954 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 86' ' ' GLY . . . . . . . . . . . . . . . 101.3 42.61 2.34 Favored Glycine 0 C--N 1.338 0.691 0 N-CA-C 110.933 -0.867 . . . . 0.0 110.933 179.978 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 87' ' ' ILE . . . . . . . . . . . . . 3.4 tp -78.54 132.37 32.47 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.381 0 N-CA-C 110.178 -0.304 . . . . 0.0 110.178 -179.953 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 88' ' ' PHE . . . . . 0.494 ' CD1' ' O ' ' A' ' 88' ' ' PHE . 51.7 p90 -87.72 131.33 34.52 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.912 -179.816 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 89' ' ' VAL . . . . . . . . . . . . . 30.5 m -136.46 160.0 37.86 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.241 0 CA-C-N 116.059 -0.519 . . . . 0.0 110.204 179.629 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 90' ' ' ARG . . . . . . . . . . . . . 92.0 mtt180 -86.21 163.52 17.73 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 115.963 -0.562 . . . . 0.0 110.536 -179.815 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 91' ' ' GLN . . . . . . . . . . . . . 60.8 tt0 -60.09 -41.59 92.81 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.492 -179.551 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 63.5 p -63.66 -32.73 74.3 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.82 179.873 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 93' ' ' GLN . . . . . . . . . . . . . 86.7 mt-30 -69.08 -48.25 63.17 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.304 -0.407 . . . . 0.0 110.851 -179.786 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 94' ' ' ILE . . . . . 0.476 HG23 ' O ' ' A' ' 94' ' ' ILE . 20.7 tt -90.21 128.35 42.19 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.368 0 CA-C-N 116.313 -0.403 . . . . 0.0 110.462 179.971 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 95' ' ' GLN . . . . . . . . . . . . . 86.1 mt-30 -143.44 154.65 43.9 Favored 'General case' 0 C--N 1.331 -0.199 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.564 -179.831 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 96' ' ' VAL . . . . . . . . . . . . . 29.3 m -75.07 138.16 21.53 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 115.979 -0.555 . . . . 0.0 110.596 -179.92 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 97' ' ' PHE . . . . . . . . . . . . . 89.8 t80 . . . . . 0 C--O 1.22 -0.467 0 CA-C-O 118.05 -0.976 . . . . 0.0 110.56 -179.983 . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 54.8 tp . . . . . 0 N--CA 1.491 1.585 0 N-CA-C 109.448 -0.575 . . . . 0.0 109.448 . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 93.4 mtt-85 -67.17 140.52 57.49 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.652 -179.538 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 6.7 m -67.13 135.99 27.53 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.418 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.416 -179.871 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . 94.99 -12.51 68.4 Favored Glycine 0 CA--C 1.524 0.622 0 N-CA-C 110.869 -0.892 . . . . 0.0 110.869 -179.862 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 6.6 p -71.84 146.4 47.99 Favored 'General case' 0 C--N 1.329 -0.285 0 N-CA-C 110.003 -0.369 . . . . 0.0 110.003 179.954 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 32.2 ptt85 -107.97 123.04 48.04 Favored 'General case' 0 N--CA 1.465 0.305 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.391 179.752 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 3.3 m -145.85 165.72 9.69 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 115.86 -0.609 . . . . 0.0 110.363 179.887 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 13.8 pt-20 -106.73 129.31 54.63 Favored 'General case' 0 N--CA 1.464 0.24 0 CA-C-N 116.283 -0.417 . . . . 0.0 109.992 179.343 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 35' ' ' VAL . . . . . 0.447 ' O ' ' O ' ' A' ' 38' ' ' LYS . 21.6 t -68.09 128.91 32.22 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 CA-C-O 121.237 0.541 . . . . 0.0 109.812 -179.686 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 89.7 mt -63.92 126.54 22.78 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.634 0 C-N-CA 120.343 -0.543 . . . . 0.0 111.099 -179.189 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 97.8 -37.24 3.54 Favored Glycine 0 CA--C 1.527 0.803 0 N-CA-C 111.333 -0.707 . . . . 0.0 111.333 179.482 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 38' ' ' LYS . . . . . 0.447 ' O ' ' O ' ' A' ' 35' ' ' VAL . 25.4 pttm -163.79 -136.93 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.248 0 CA-C-O 120.825 0.345 . . . . 0.0 110.511 -179.986 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 39' ' ' GLY . . . . . 0.463 ' O ' ' O ' ' A' ' 40' ' ' HIS . . . 40.07 79.82 0.04 OUTLIER Glycine 0 C--N 1.334 0.447 0 N-CA-C 111.25 -0.74 . . . . 0.0 111.25 179.137 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 40' ' ' HIS . . . . . 0.463 ' O ' ' O ' ' A' ' 39' ' ' GLY . 59.9 m170 -44.58 173.81 0.0 OUTLIER 'General case' 0 C--N 1.33 -0.269 0 CA-C-O 121.012 0.434 . . . . 0.0 110.481 -179.547 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 82.4 mtp180 -46.39 139.99 4.5 Favored 'General case' 0 C--N 1.325 -0.473 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.986 -179.43 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -166.6 163.09 36.73 Favored Glycine 0 CA--C 1.524 0.646 0 N-CA-C 110.762 -0.935 . . . . 0.0 110.762 179.901 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 12.5 p -109.26 141.07 42.08 Favored 'General case' 0 N--CA 1.466 0.334 0 CA-C-O 120.958 0.409 . . . . 0.0 110.857 -179.703 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 44' ' ' VAL . . . . . 0.436 ' H ' HG22 ' A' ' 44' ' ' VAL . 1.6 m -78.34 113.03 17.04 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 115.979 -0.555 . . . . 0.0 109.965 -179.935 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -97.6 -48.52 5.22 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.836 -179.854 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 46' ' ' TYR . . . . . . . . . . . . . 80.2 t80 -124.19 132.09 53.59 Favored 'General case' 0 N--CA 1.467 0.4 0 CA-C-O 120.989 0.423 . . . . 0.0 110.886 -179.438 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 47' ' ' VAL . . . . . . . . . . . . . 2.6 p -132.71 120.87 43.33 Favored 'Isoleucine or valine' 0 C--N 1.333 -0.151 0 CA-C-N 115.998 -0.546 . . . . 0.0 110.382 179.649 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 48' ' ' GLY . . . . . 0.422 ' O ' ' O ' ' A' ' 57' ' ' TRP . . . 160.17 -178.48 36.2 Favored Glycine 0 CA--C 1.52 0.36 0 N-CA-C 110.668 -0.973 . . . . 0.0 110.668 179.385 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -88.52 135.69 33.36 Favored 'General case' 0 C--N 1.328 -0.349 0 N-CA-C 110.059 -0.348 . . . . 0.0 110.059 179.328 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 50' ' ' THR . . . . . 0.478 ' O ' ' O ' ' A' ' 53' ' ' ALA . 76.7 p -110.88 144.52 39.8 Favored 'General case' 0 N--CA 1.466 0.369 0 CA-C-O 120.918 0.389 . . . . 0.0 110.352 -179.946 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 62.4 mt -69.52 -17.72 63.61 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.5 -179.775 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 52' ' ' PHE . . . . . . . . . . . . . 81.0 t80 -69.74 -21.88 63.42 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.07 -0.514 . . . . 0.0 110.556 -179.78 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 53' ' ' ALA . . . . . 0.478 ' O ' ' O ' ' A' ' 50' ' ' THR . . . -149.37 149.21 30.5 Favored 'General case' 0 N--CA 1.463 0.188 0 CA-C-O 120.927 0.394 . . . . 0.0 110.508 179.899 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 54' ' ' THR . . . . . . . . . . . . . 18.6 m -78.72 153.49 30.84 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-N 116.294 -0.412 . . . . 0.0 110.816 -179.8 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . 86.72 -163.15 34.93 Favored Glycine 0 CA--C 1.52 0.36 0 N-CA-C 110.505 -1.038 . . . . 0.0 110.505 179.873 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 36.9 ttmt -100.55 141.18 33.78 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.897 0.38 . . . . 0.0 110.252 179.995 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 57' ' ' TRP . . . . . 0.422 ' O ' ' O ' ' A' ' 48' ' ' GLY . 94.5 m95 -137.53 140.89 41.37 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.365 179.784 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 58' ' ' VAL . . . . . . . . . . . . . 47.7 t -117.88 127.03 75.21 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.332 0 CA-C-N 116.406 -0.361 . . . . 0.0 110.508 -179.999 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . -89.33 115.28 4.47 Favored Glycine 0 CA--C 1.519 0.319 0 N-CA-C 109.961 -1.256 . . . . 0.0 109.961 179.739 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 60' ' ' VAL . . . . . 0.506 ' C ' HD12 ' A' ' 61' ' ' ILE . 43.4 t -116.99 137.2 51.66 Favored 'Isoleucine or valine' 0 C--O 1.233 0.192 0 CA-C-O 121.139 0.495 . . . . 0.0 110.621 -179.302 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 61' ' ' ILE . . . . . 0.645 ' N ' HD12 ' A' ' 61' ' ' ILE . 1.7 mp -99.16 110.98 27.56 Favored 'Isoleucine or valine' 0 CA--C 1.517 -0.307 0 N-CA-C 109.09 -0.707 . . . . 0.0 109.09 179.061 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 62' ' ' LEU . . . . . 0.971 ' H ' HD22 ' A' ' 62' ' ' LEU . 0.4 OUTLIER -75.74 146.99 39.66 Favored 'General case' 0 C--N 1.324 -0.507 0 CA-C-N 115.526 -0.761 . . . . 0.0 110.801 -179.504 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 88.4 m-20 -67.82 -19.19 65.04 Favored 'General case' 0 C--N 1.322 -0.596 0 CA-C-N 115.552 -0.749 . . . . 0.0 110.516 -179.762 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 64' ' ' GLU . . . . . 0.415 ' O ' ' NE2' ' A' ' 85' ' ' HIS . 80.2 mm-40 -109.87 176.07 5.2 Favored 'General case' 0 N--CA 1.465 0.321 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.356 -179.976 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -77.5 95.03 4.4 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.089 -0.505 . . . . 0.0 110.766 -179.514 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 66' ' ' LYS . . . . . 0.531 ' N ' ' O ' ' A' ' 84' ' ' GLY . 4.7 tptp -97.48 107.37 19.87 Favored 'General case' 0 N--CA 1.464 0.228 0 CA-C-O 121.177 0.513 . . . . 0.0 109.744 179.903 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . -43.33 101.44 0.02 OUTLIER Glycine 0 C--N 1.315 -0.592 0 C-N-CA 120.475 -0.869 . . . . 0.0 112.124 -179.186 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 19.8 tptp -165.92 136.07 3.47 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-N 114.975 -0.612 . . . . 0.0 110.878 179.388 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 69' ' ' ASN . . . . . . . . . . . . . 86.4 m-20 -87.87 120.23 29.0 Favored 'General case' 0 C--N 1.331 -0.211 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.543 179.722 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 32.7 t0 -116.49 107.2 14.47 Favored 'General case' 0 N--CA 1.466 0.342 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.369 179.738 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . 177.41 -150.75 10.33 Favored Glycine 0 CA--C 1.523 0.556 0 N-CA-C 110.961 -0.856 . . . . 0.0 110.961 -179.908 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 72' ' ' THR . . . . . 0.44 HG22 ' H ' ' A' ' 72' ' ' THR . 0.0 OUTLIER -67.67 122.48 18.14 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.637 0.256 . . . . 0.0 110.381 179.982 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 73' ' ' VAL . . . . . . . . . . . . . 92.2 t -120.35 126.6 75.44 Favored 'Isoleucine or valine' 0 N--CA 1.463 0.213 0 CA-C-O 121.099 0.476 . . . . 0.0 110.165 179.7 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 74' ' ' GLN . . . . . . . . . . . . . 39.9 tp60 60.11 20.2 9.45 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-N 115.838 -0.619 . . . . 0.0 110.297 -179.824 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . 89.56 -2.94 83.32 Favored Glycine 0 CA--C 1.525 0.706 0 N-CA-C 111.124 -0.79 . . . . 0.0 111.124 179.944 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 76' ' ' ARG . . . . . . . . . . . . . 83.5 mmt-85 -103.63 124.94 49.75 Favored 'General case' 0 CA--C 1.519 -0.225 0 CA-C-O 120.98 0.419 . . . . 0.0 109.928 -179.81 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 88.6 tttt -104.52 105.23 15.26 Favored 'General case' 0 C--N 1.332 -0.19 0 CA-C-N 115.907 -0.588 . . . . 0.0 110.572 -179.836 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 78' ' ' TYR . . . . . . . . . . . . . 67.3 m-85 -94.36 -49.53 5.66 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.092 -0.504 . . . . 0.0 110.368 179.47 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 79' ' ' PHE . . . . . . . . . . . . . 25.1 p90 -155.34 160.09 40.45 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 115.946 -0.57 . . . . 0.0 110.643 179.992 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 80' ' ' THR . . . . . . . . . . . . . 97.4 m -128.44 129.27 45.89 Favored 'General case' 0 N--CA 1.465 0.288 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.626 179.969 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 81' ' ' CYS . . . . . . . . . . . . . 8.6 t -136.77 168.2 19.99 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.054 -0.521 . . . . 0.0 110.203 179.934 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 82' ' ' ASP . . . . . . . . . . . . . 98.3 m-20 -63.29 139.39 58.77 Favored 'General case' 0 C--N 1.325 -0.47 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.775 -179.709 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 80.9 mm-40 -51.11 116.6 2.09 Favored 'General case' 0 CA--C 1.514 -0.406 0 CA-C-N 115.933 -0.576 . . . . 0.0 109.883 179.796 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 84' ' ' GLY . . . . . 0.531 ' O ' ' N ' ' A' ' 66' ' ' LYS . . . 115.86 9.58 12.17 Favored Glycine 0 CA--C 1.527 0.795 0 N-CA-C 110.763 -0.935 . . . . 0.0 110.763 -179.957 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 85' ' ' HIS . . . . . 0.415 ' NE2' ' O ' ' A' ' 64' ' ' GLU . 32.0 m170 -134.68 169.39 17.4 Favored 'General case' 0 N--CA 1.467 0.399 0 O-C-N 122.603 -0.351 . . . . 0.0 110.842 179.883 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 86' ' ' GLY . . . . . . . . . . . . . . . 85.29 47.76 5.07 Favored Glycine 0 C--N 1.337 0.634 0 N-CA-C 111.081 -0.808 . . . . 0.0 111.081 -179.993 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 87' ' ' ILE . . . . . 0.622 HG22 HD21 ' A' ' 62' ' ' LEU . 16.7 tt -85.35 130.0 36.95 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.245 0 CA-C-O 121.026 0.441 . . . . 0.0 110.577 -179.911 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 88' ' ' PHE . . . . . . . . . . . . . 53.1 m-85 -77.24 136.54 38.54 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 115.838 -0.619 . . . . 0.0 110.586 -179.61 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 89' ' ' VAL . . . . . . . . . . . . . 33.8 m -140.56 158.11 24.38 Favored 'Isoleucine or valine' 0 C--O 1.236 0.355 0 CA-C-N 115.996 -0.547 . . . . 0.0 110.306 179.51 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 90' ' ' ARG . . . . . . . . . . . . . 84.1 mtp180 -77.76 150.69 34.33 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 115.835 -0.621 . . . . 0.0 110.329 179.67 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 91' ' ' GLN . . . . . . . . . . . . . 22.6 pt20 -63.18 -34.25 77.22 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.099 -0.5 . . . . 0.0 110.689 -179.75 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 77.6 p -72.52 -32.83 66.45 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.133 179.903 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 93' ' ' GLN . . . . . . . . . . . . . 3.2 tp-100 -69.38 -37.28 77.49 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.853 -179.199 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 94' ' ' ILE . . . . . 0.421 ' O ' HG23 ' A' ' 94' ' ' ILE . 19.5 tt -88.99 132.63 33.3 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.101 -179.868 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 95' ' ' GLN . . . . . . . . . . . . . 58.2 tt0 -139.4 155.26 47.74 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.172 -179.895 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 96' ' ' VAL . . . . . . . . . . . . . 6.2 p -120.11 131.48 72.36 Favored 'Isoleucine or valine' 0 N--CA 1.463 0.201 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.181 -179.876 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 97' ' ' PHE . . . . . . . . . . . . . 42.9 t80 . . . . . 0 C--O 1.219 -0.5 0 CA-C-O 117.992 -1.004 . . . . 0.0 110.451 -179.662 . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' A' A ' 27' ' ' LEU . . . . . 0.479 HD23 ' C ' ' A' ' 27' ' ' LEU . 1.9 tt . . . . . 0 N--CA 1.49 1.526 0 N-CA-C 109.303 -0.629 . . . . 0.0 109.303 . . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 62.3 ttp180 -89.52 143.35 26.89 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.425 179.651 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 35.3 m -64.08 133.48 29.65 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.425 179.889 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . 100.01 -14.1 60.17 Favored Glycine 0 CA--C 1.526 0.746 0 N-CA-C 110.837 -0.905 . . . . 0.0 110.837 -179.807 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 43.2 t -64.93 142.39 58.45 Favored 'General case' 0 C--O 1.24 0.571 0 CA-C-O 120.917 0.389 . . . . 0.0 110.48 -179.885 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 88.5 mtm180 -99.72 122.43 42.71 Favored 'General case' 0 C--O 1.233 0.221 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.348 -179.65 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 2.1 m -145.41 163.67 11.88 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.145 179.354 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 34' ' ' GLU . . . . . 0.405 ' O ' ' CG ' ' A' ' 34' ' ' GLU . 8.3 pt-20 -111.21 127.91 55.75 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.487 178.59 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 53.2 t -65.1 132.47 30.9 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.262 0 CA-C-O 121.06 0.457 . . . . 0.0 110.281 179.898 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 96.0 mt -74.35 129.59 36.47 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.453 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.952 -179.254 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 94.09 -39.6 2.89 Favored Glycine 0 CA--C 1.52 0.385 0 N-CA-C 111.047 -0.821 . . . . 0.0 111.047 179.129 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 53.3 mtmt -155.42 -145.09 0.15 Allowed 'General case' 0 C--N 1.329 -0.324 0 N-CA-C 110.32 -0.252 . . . . 0.0 110.32 -179.799 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 39' ' ' GLY . . . . . 0.483 ' O ' ' O ' ' A' ' 40' ' ' HIS . . . 39.25 78.5 0.05 OUTLIER Glycine 0 CA--C 1.524 0.63 0 N-CA-C 111.205 -0.758 . . . . 0.0 111.205 179.787 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 40' ' ' HIS . . . . . 0.483 ' O ' ' O ' ' A' ' 39' ' ' GLY . 34.1 m80 -45.65 177.62 0.0 OUTLIER 'General case' 0 C--N 1.332 -0.17 0 CA-C-O 121.125 0.488 . . . . 0.0 110.369 179.971 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 41' ' ' ARG . . . . . 0.535 ' O ' HD13 ' A' ' 62' ' ' LEU . 20.9 ptt-85 -42.49 135.73 2.65 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 116.059 -0.518 . . . . 0.0 110.867 -179.355 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -164.28 171.5 39.83 Favored Glycine 0 CA--C 1.519 0.328 0 N-CA-C 110.815 -0.914 . . . . 0.0 110.815 -179.599 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 14.8 m -123.48 132.65 53.98 Favored 'General case' 0 N--CA 1.465 0.297 0 CA-C-O 120.725 0.298 . . . . 0.0 110.472 -179.554 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 77.4 t -76.31 130.07 36.58 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.318 -179.699 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -130.36 -38.79 1.35 Allowed 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.309 -0.405 . . . . 0.0 110.602 -179.911 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 46' ' ' TYR . . . . . . . . . . . . . 63.9 t80 -117.59 117.71 30.14 Favored 'General case' 0 CA--C 1.518 -0.27 0 CA-C-N 116.339 -0.392 . . . . 0.0 110.506 -179.552 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 47' ' ' VAL . . . . . . . . . . . . . 2.8 p -130.8 122.28 51.96 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.261 0 CA-C-O 121.009 0.433 . . . . 0.0 110.326 179.566 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 160.67 -175.53 37.37 Favored Glycine 0 CA--C 1.521 0.442 0 N-CA-C 110.818 -0.913 . . . . 0.0 110.818 179.303 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -98.89 117.53 33.59 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-O 120.948 0.404 . . . . 0.0 110.357 179.574 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 50' ' ' THR . . . . . 0.41 ' O ' ' O ' ' A' ' 53' ' ' ALA . 71.3 p -87.35 148.31 25.1 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.434 179.963 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 51' ' ' LEU . . . . . 0.558 HD12 ' N ' ' A' ' 51' ' ' LEU . 8.7 mp -69.94 -13.43 62.24 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.169 -0.468 . . . . 0.0 110.304 179.934 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 52' ' ' PHE . . . . . . . . . . . . . 90.0 t80 -70.3 -28.01 64.84 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.492 -179.79 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 53' ' ' ALA . . . . . 0.41 ' O ' ' O ' ' A' ' 50' ' ' THR . . . -151.61 153.94 35.45 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.294 -0.412 . . . . 0.0 110.506 179.966 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 54' ' ' THR . . . . . . . . . . . . . 10.4 p -81.73 169.34 17.06 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.6 -179.822 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . 87.78 -146.14 19.77 Favored Glycine 0 CA--C 1.521 0.413 0 N-CA-C 110.712 -0.955 . . . . 0.0 110.712 -179.872 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 85.5 tttt -132.55 122.28 24.57 Favored 'General case' 0 N--CA 1.464 0.257 0 CA-C-O 120.826 0.346 . . . . 0.0 110.315 -179.945 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 57' ' ' TRP . . . . . . . . . . . . . 84.8 m95 -117.23 148.06 41.97 Favored 'General case' 0 C--O 1.234 0.24 0 CA-C-N 116.301 -0.409 . . . . 0.0 110.304 179.964 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 58' ' ' VAL . . . . . 0.519 ' CG2' ' NE2' ' A' ' 91' ' ' GLN . 53.0 t -125.49 124.14 66.28 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.308 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.504 179.976 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . -87.39 114.35 4.12 Favored Glycine 0 C--O 1.238 0.354 0 N-CA-C 110.476 -1.049 . . . . 0.0 110.476 179.669 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 60' ' ' VAL . . . . . . . . . . . . . 18.2 t -112.0 134.02 55.82 Favored 'Isoleucine or valine' 0 C--O 1.233 0.191 0 CA-C-O 121.088 0.47 . . . . 0.0 110.532 -179.302 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 61' ' ' ILE . . . . . 0.687 HD12 ' N ' ' A' ' 61' ' ' ILE . 1.6 mp -90.56 105.26 16.15 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.254 0 CA-C-N 116.094 -0.503 . . . . 0.0 109.959 179.291 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 62' ' ' LEU . . . . . 0.606 HD22 ' N ' ' A' ' 62' ' ' LEU . 3.3 mm? -69.14 139.82 54.7 Favored 'General case' 0 C--N 1.32 -0.687 0 CA-C-N 116.043 -0.526 . . . . 0.0 111.283 179.491 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 97.0 m-20 -77.94 -19.08 55.26 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-N 116.05 -0.523 . . . . 0.0 110.395 179.693 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 44.0 tt0 -110.5 146.33 36.18 Favored 'General case' 0 N--CA 1.466 0.344 0 CA-C-N 116.324 -0.398 . . . . 0.0 110.313 179.86 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -48.39 101.16 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.061 -0.518 . . . . 0.0 110.625 -179.48 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 66' ' ' LYS . . . . . 0.544 ' N ' ' O ' ' A' ' 84' ' ' GLY . 0.8 OUTLIER -115.83 109.26 17.39 Favored 'General case' 0 N--CA 1.464 0.237 0 CA-C-O 121.358 0.599 . . . . 0.0 110.253 179.422 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . -43.93 104.64 0.06 OUTLIER Glycine 0 CA--C 1.521 0.422 0 C-N-CA 120.638 -0.792 . . . . 0.0 112.101 -179.215 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 68' ' ' LYS . . . . . 0.419 ' NZ ' ' O ' ' A' ' 86' ' ' GLY . 19.0 tptm -169.35 134.58 1.51 Allowed 'General case' 0 N--CA 1.447 -0.604 0 CA-C-O 120.927 0.394 . . . . 0.0 110.68 179.307 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 69' ' ' ASN . . . . . . . . . . . . . 62.6 t30 -90.88 119.85 31.42 Favored 'General case' 0 C--O 1.233 0.223 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.33 178.938 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 70' ' ' ASP . . . . . 0.539 ' OD2' ' N ' ' A' ' 81' ' ' CYS . 13.9 t70 -120.89 101.87 7.99 Favored 'General case' 0 N--CA 1.467 0.393 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.498 179.62 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . -175.22 -148.91 6.99 Favored Glycine 0 CA--C 1.524 0.598 0 N-CA-C 110.912 -0.875 . . . . 0.0 110.912 179.729 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 72' ' ' THR . . . . . 0.448 ' H ' HG22 ' A' ' 72' ' ' THR . 0.0 OUTLIER -76.29 127.7 33.42 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.741 0.305 . . . . 0.0 110.415 -179.752 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 73' ' ' VAL . . . . . . . . . . . . . 64.2 t -119.64 128.11 75.88 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.268 0 CA-C-N 116.354 -0.385 . . . . 0.0 110.191 179.848 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 74' ' ' GLN . . . . . . . . . . . . . 97.9 mt-30 54.1 21.21 2.87 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.034 -0.53 . . . . 0.0 110.558 179.685 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . 89.58 2.06 76.7 Favored Glycine 0 CA--C 1.523 0.549 0 N-CA-C 110.809 -0.916 . . . . 0.0 110.809 179.854 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 76' ' ' ARG . . . . . . . . . . . . . 95.5 mtt-85 -96.29 115.34 27.28 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-O 121.017 0.436 . . . . 0.0 110.074 -179.851 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 88.4 tttt -104.99 92.99 4.46 Favored 'General case' 0 C--N 1.331 -0.207 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.712 -179.583 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 78' ' ' TYR . . . . . . . . . . . . . 38.8 m-85 -102.45 -35.91 8.61 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.347 -0.388 . . . . 0.0 110.373 179.235 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 79' ' ' PHE . . . . . . . . . . . . . 29.2 p90 -151.32 151.32 31.62 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.296 -0.411 . . . . 0.0 110.601 179.909 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 80' ' ' THR . . . . . . . . . . . . . 86.9 m -137.6 135.16 36.36 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.316 -0.402 . . . . 0.0 110.734 -179.818 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 81' ' ' CYS . . . . . 0.539 ' N ' ' OD2' ' A' ' 70' ' ' ASP . 18.6 t -155.64 164.28 38.82 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.264 179.42 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 82' ' ' ASP . . . . . . . . . . . . . 98.7 m-20 -66.57 141.36 57.87 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-O 121.095 0.474 . . . . 0.0 110.574 -179.923 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 17.2 pt-20 -52.14 146.43 8.97 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.06 -0.518 . . . . 0.0 110.336 179.813 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 84' ' ' GLY . . . . . 0.544 ' O ' ' N ' ' A' ' 66' ' ' LYS . . . 101.52 -13.87 58.05 Favored Glycine 0 CA--C 1.522 0.516 0 N-CA-C 110.579 -1.008 . . . . 0.0 110.579 179.981 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 85' ' ' HIS . . . . . 0.556 ' CD2' ' O ' ' A' ' 62' ' ' LEU . 3.7 m80 -138.59 160.3 39.94 Favored 'General case' 0 C--N 1.329 -0.289 0 O-C-N 122.503 -0.41 . . . . 0.0 110.265 -179.801 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 86' ' ' GLY . . . . . 0.419 ' O ' ' NZ ' ' A' ' 68' ' ' LYS . . . 104.64 45.9 1.36 Allowed Glycine 0 CA--C 1.521 0.432 0 N-CA-C 110.875 -0.89 . . . . 0.0 110.875 179.454 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 87' ' ' ILE . . . . . . . . . . . . . 79.4 mt -80.67 153.71 4.35 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.37 0 CA-C-O 121.056 0.455 . . . . 0.0 110.398 179.602 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 88' ' ' PHE . . . . . 0.501 ' O ' ' CD2' ' A' ' 88' ' ' PHE . 54.6 p90 -101.58 126.36 48.39 Favored 'General case' 0 C--O 1.232 0.177 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.301 179.415 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 89' ' ' VAL . . . . . . . . . . . . . 26.9 m -133.61 159.5 42.63 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.256 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.451 179.886 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 90' ' ' ARG . . . . . . . . . . . . . 86.1 mtm180 -87.33 167.89 13.65 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.588 -179.802 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 91' ' ' GLN . . . . . 0.519 ' NE2' ' CG2' ' A' ' 58' ' ' VAL . 95.0 mm-40 -62.11 -43.85 97.93 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.48 -179.696 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 57.9 m -59.46 -35.25 73.72 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.642 179.977 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 93' ' ' GLN . . . . . . . . . . . . . 15.8 mm100 -68.43 -51.73 40.49 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.867 -179.322 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 94' ' ' ILE . . . . . 0.433 ' O ' ' O ' ' A' ' 91' ' ' GLN . 20.3 tt -90.84 133.28 33.09 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 116.266 -0.425 . . . . 0.0 110.728 -179.591 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 95' ' ' GLN . . . . . . . . . . . . . 57.9 tt0 -138.26 154.2 49.06 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 116.24 -0.437 . . . . 0.0 110.429 179.806 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 96' ' ' VAL . . . . . 0.426 ' H ' HG22 ' A' ' 96' ' ' VAL . 13.0 m -77.53 142.42 14.23 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.352 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.644 -179.86 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 97' ' ' PHE . . . . . . . . . . . . . 55.6 p90 . . . . . 0 C--O 1.22 -0.453 0 CA-C-O 118.003 -0.999 . . . . 0.0 110.64 -179.841 . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 60.5 tp . . . . . 0 N--CA 1.487 1.397 0 N-CA-C 109.342 -0.614 . . . . 0.0 109.342 . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 78.8 mtp85 -138.53 157.53 46.0 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.337 -0.392 . . . . 0.0 110.723 179.59 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 29' ' ' VAL . . . . . 0.451 ' O ' HG23 ' A' ' 29' ' ' VAL . 19.1 m -64.3 129.94 28.76 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-O 121.111 0.481 . . . . 0.0 110.32 179.874 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . 101.64 -14.55 57.68 Favored Glycine 0 CA--C 1.526 0.769 0 N-CA-C 110.875 -0.89 . . . . 0.0 110.875 -179.81 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 35.4 t -67.41 140.93 57.18 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-O 121.068 0.461 . . . . 0.0 110.559 179.942 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 99.9 mtt180 -101.38 124.89 47.79 Favored 'General case' 0 C--O 1.233 0.197 0 CA-C-O 121.03 0.443 . . . . 0.0 110.477 179.982 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 2.5 m -144.68 170.51 7.37 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.41 179.586 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 34' ' ' GLU . . . . . 0.422 ' O ' ' CG ' ' A' ' 34' ' ' GLU . 8.1 pt-20 -121.32 126.51 49.67 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.349 -0.387 . . . . 0.0 110.578 178.85 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 4.6 t -60.63 135.25 25.56 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.414 0 CA-C-N 116.295 -0.411 . . . . 0.0 110.315 179.939 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 96.6 mt -72.33 128.04 34.87 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.425 0 CA-C-N 116.143 -0.48 . . . . 0.0 111.035 -179.095 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 94.73 -42.25 2.44 Favored Glycine 0 C--N 1.33 0.237 0 N-CA-C 111.252 -0.739 . . . . 0.0 111.252 179.3 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 38' ' ' LYS . . . . . 0.406 ' O ' ' C ' ' A' ' 39' ' ' GLY . 97.3 mttt -154.67 -137.97 0.07 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.567 0.222 . . . . 0.0 110.718 179.822 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 39' ' ' GLY . . . . . 0.489 ' O ' ' O ' ' A' ' 40' ' ' HIS . . . 38.72 80.97 0.02 OUTLIER Glycine 0 CA--C 1.524 0.601 0 N-CA-C 111.11 -0.796 . . . . 0.0 111.11 179.66 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 40' ' ' HIS . . . . . 0.515 ' ND1' ' CE ' ' A' ' 66' ' ' LYS . 62.6 m80 -45.8 176.46 0.0 OUTLIER 'General case' 0 C--N 1.328 -0.347 0 CA-C-O 120.935 0.397 . . . . 0.0 110.39 -179.588 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 99.9 mtt180 -44.05 146.36 0.63 Allowed 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 116.266 -0.424 . . . . 0.0 110.767 -179.419 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -167.05 160.86 34.67 Favored Glycine 0 CA--C 1.52 0.394 0 N-CA-C 110.832 -0.907 . . . . 0.0 110.832 -179.901 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 5.2 m -113.36 133.34 55.2 Favored 'General case' 0 C--N 1.332 -0.178 0 CA-C-O 120.81 0.338 . . . . 0.0 110.612 -179.726 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 84.2 t -68.8 132.31 33.07 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.345 -179.72 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -123.59 -33.71 3.17 Favored 'General case' 0 CA--C 1.519 -0.223 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.784 -179.949 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 46' ' ' TYR . . . . . . . . . . . . . 87.5 t80 -132.64 123.41 26.33 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.322 -0.399 . . . . 0.0 110.739 -179.835 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 47' ' ' VAL . . . . . 0.41 ' O ' HG13 ' A' ' 47' ' ' VAL . 3.4 p -127.93 121.98 57.52 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.355 179.765 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 160.41 174.64 30.47 Favored Glycine 0 CA--C 1.524 0.599 0 N-CA-C 110.862 -0.895 . . . . 0.0 110.862 179.79 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -90.94 113.75 26.06 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-O 120.931 0.396 . . . . 0.0 110.474 179.664 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 50' ' ' THR . . . . . 0.494 ' O ' ' O ' ' A' ' 53' ' ' ALA . 60.8 p -76.07 143.66 41.2 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.633 -179.898 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 68.9 mt -70.85 -17.73 62.73 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.601 -179.792 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 52' ' ' PHE . . . . . . . . . . . . . 85.1 t80 -71.12 -23.39 62.08 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.605 -179.676 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 53' ' ' ALA . . . . . 0.494 ' O ' ' O ' ' A' ' 50' ' ' THR . . . -151.35 150.68 30.78 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-N 116.229 -0.442 . . . . 0.0 110.578 -179.941 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 54' ' ' THR . . . . . 0.407 ' O ' ' NE1' ' A' ' 57' ' ' TRP . 73.1 p -78.04 167.71 21.02 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.631 179.894 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . 86.41 -172.73 45.3 Favored Glycine 0 CA--C 1.521 0.438 0 N-CA-C 110.882 -0.887 . . . . 0.0 110.882 -179.898 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 88.8 tttt -103.82 118.09 35.87 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-O 121.028 0.442 . . . . 0.0 110.693 179.853 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 57' ' ' TRP . . . . . 0.407 ' NE1' ' O ' ' A' ' 54' ' ' THR . 63.0 m95 -112.08 142.81 44.06 Favored 'General case' 0 C--O 1.234 0.238 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.455 179.817 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 58' ' ' VAL . . . . . . . . . . . . . 54.7 t -126.91 122.69 60.99 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.153 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.673 179.863 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . -84.0 111.89 3.51 Favored Glycine 0 CA--C 1.521 0.442 0 N-CA-C 110.641 -0.984 . . . . 0.0 110.641 179.71 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 60' ' ' VAL . . . . . 0.481 ' C ' HD12 ' A' ' 61' ' ' ILE . 46.2 t -113.55 140.49 33.59 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-O 121.134 0.493 . . . . 0.0 110.917 -179.629 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 61' ' ' ILE . . . . . 0.671 HD12 ' N ' ' A' ' 61' ' ' ILE . 1.7 mp -98.12 111.82 28.75 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.317 0 CA-C-N 116.112 -0.495 . . . . 0.0 109.733 179.156 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 62' ' ' LEU . . . . . 1.059 HD22 ' H ' ' A' ' 62' ' ' LEU . 0.2 OUTLIER -80.65 141.33 35.04 Favored 'General case' 0 C--N 1.324 -0.531 0 CA-C-N 116.258 -0.428 . . . . 0.0 111.319 -179.497 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 32.4 t70 -64.65 -39.11 93.12 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.443 179.85 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 79.5 mm-40 -83.56 160.15 21.5 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.492 179.813 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -68.61 97.55 0.8 Allowed 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.784 -179.942 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 66' ' ' LYS . . . . . 0.515 ' CE ' ' ND1' ' A' ' 40' ' ' HIS . 67.2 mmtt -109.77 109.25 19.87 Favored 'General case' 0 N--CA 1.465 0.287 0 CA-C-O 121.154 0.502 . . . . 0.0 110.328 179.6 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . -44.03 110.12 0.32 Allowed Glycine 0 N--CA 1.452 -0.245 0 C-N-CA 120.674 -0.774 . . . . 0.0 111.943 -179.254 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 68' ' ' LYS . . . . . 0.43 ' H ' ' HA2' ' A' ' 84' ' ' GLY . 50.1 tptt -168.82 128.19 1.11 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.739 0.304 . . . . 0.0 110.274 179.821 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 69' ' ' ASN . . . . . . . . . . . . . 98.3 m-20 -89.54 121.62 31.92 Favored 'General case' 0 CA--C 1.516 -0.354 0 CA-C-N 116.254 -0.43 . . . . 0.0 111.118 179.826 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 70' ' ' ASP . . . . . 0.526 ' OD2' ' N ' ' A' ' 81' ' ' CYS . 8.0 t70 -122.69 104.32 9.24 Favored 'General case' 0 C--O 1.233 0.195 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.403 179.66 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . 175.05 -162.12 31.74 Favored Glycine 0 CA--C 1.524 0.651 0 N-CA-C 110.904 -0.878 . . . . 0.0 110.904 179.76 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 72' ' ' THR . . . . . 0.461 HG22 ' H ' ' A' ' 72' ' ' THR . 0.0 OUTLIER -55.29 121.84 9.78 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-O 121.024 0.44 . . . . 0.0 110.341 -179.861 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 73' ' ' VAL . . . . . 0.403 ' O ' HG13 ' A' ' 73' ' ' VAL . 8.5 p -127.94 134.03 66.08 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.191 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.689 -179.779 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 74' ' ' GLN . . . . . . . . . . . . . 87.1 mm-40 53.52 25.8 5.08 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.5 -179.873 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . 80.27 13.87 81.21 Favored Glycine 0 CA--C 1.52 0.353 0 N-CA-C 110.932 -0.867 . . . . 0.0 110.932 179.992 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 76' ' ' ARG . . . . . . . . . . . . . 62.7 ttm-85 -112.86 115.19 28.06 Favored 'General case' 0 C--O 1.233 0.212 0 CA-C-O 121.05 0.452 . . . . 0.0 110.32 -179.804 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 61.3 tttp -106.58 90.12 3.24 Favored 'General case' 0 C--O 1.234 0.242 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.677 179.827 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 78' ' ' TYR . . . . . . . . . . . . . 2.7 m-85 -107.98 -32.67 7.47 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.353 -0.385 . . . . 0.0 110.615 179.701 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 79' ' ' PHE . . . . . . . . . . . . . 35.5 p90 -149.15 148.51 29.73 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.667 -179.542 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 80' ' ' THR . . . . . . . . . . . . . 91.7 m -147.56 136.34 21.99 Favored 'General case' 0 CA--C 1.519 -0.223 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.55 179.928 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 81' ' ' CYS . . . . . 0.526 ' N ' ' OD2' ' A' ' 70' ' ' ASP . 32.5 t -147.1 174.47 11.53 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.434 179.76 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 82' ' ' ASP . . . . . 0.49 ' N ' ' SG ' ' A' ' 81' ' ' CYS . 93.2 m-20 -61.0 140.42 57.83 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.698 -180.0 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 85.4 tt0 -52.65 141.07 21.7 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.235 179.763 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 84' ' ' GLY . . . . . 0.458 ' C ' ' O ' ' A' ' 66' ' ' LYS . . . 85.85 21.49 52.95 Favored Glycine 0 CA--C 1.526 0.725 0 N-CA-C 110.542 -1.023 . . . . 0.0 110.542 -179.615 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 85' ' ' HIS . . . . . 0.435 ' CE1' ' O ' ' A' ' 62' ' ' LEU . 90.7 m-70 -148.11 168.69 21.76 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-O 120.831 0.348 . . . . 0.0 110.626 179.914 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 86' ' ' GLY . . . . . . . . . . . . . . . 91.22 37.91 6.12 Favored Glycine 0 CA--C 1.52 0.374 0 N-CA-C 111.205 -0.758 . . . . 0.0 111.205 179.678 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 87' ' ' ILE . . . . . . . . . . . . . 2.7 mm -68.24 136.17 27.0 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-O 120.905 0.383 . . . . 0.0 110.385 179.885 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 88' ' ' PHE . . . . . 0.527 ' CD1' ' O ' ' A' ' 88' ' ' PHE . 50.1 p90 -90.49 129.83 36.61 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.044 -0.525 . . . . 0.0 110.873 -179.945 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 89' ' ' VAL . . . . . . . . . . . . . 2.8 m -137.17 161.22 35.46 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.175 0 CA-C-N 116.123 -0.489 . . . . 0.0 110.571 179.908 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 90' ' ' ARG . . . . . . . . . . . . . 84.1 mtp180 -97.18 173.16 7.38 Favored 'General case' 0 C--N 1.331 -0.213 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.638 179.849 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 91' ' ' GLN . . . . . 0.441 ' O ' ' O ' ' A' ' 94' ' ' ILE . 98.2 mt-30 -64.63 -32.35 73.98 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.663 -179.872 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 71.1 m -60.78 -43.87 97.52 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.603 -179.866 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 93' ' ' GLN . . . . . . . . . . . . . 72.2 mm-40 -71.8 -41.45 68.25 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.565 -179.986 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 94' ' ' ILE . . . . . 0.441 ' O ' ' O ' ' A' ' 91' ' ' GLN . 4.7 mm -87.86 120.76 37.44 Favored 'Isoleucine or valine' 0 CA--C 1.518 -0.26 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.653 -179.935 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 95' ' ' GLN . . . . . . . . . . . . . 54.4 tt0 -130.42 127.59 39.61 Favored 'General case' 0 C--N 1.331 -0.207 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.574 -179.797 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 96' ' ' VAL . . . . . . . . . . . . . 23.1 m -74.07 133.45 31.58 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.619 -179.879 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 97' ' ' PHE . . . . . . . . . . . . . 91.3 m-85 . . . . . 0 C--O 1.218 -0.554 0 CA-C-O 118.049 -0.977 . . . . 0.0 110.546 179.972 . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' A' A ' 27' ' ' LEU . . . . . 0.477 HD13 ' N ' ' A' ' 28' ' ' ARG . 0.3 OUTLIER . . . . . 0 N--CA 1.486 1.364 0 N-CA-C 109.479 -0.563 . . . . 0.0 109.479 . . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 28' ' ' ARG . . . . . 0.477 ' N ' HD13 ' A' ' 27' ' ' LEU . 95.9 mtt-85 -136.28 151.71 49.94 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 115.957 -0.565 . . . . 0.0 110.773 179.544 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 35.8 m -65.96 134.53 29.69 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.393 0 CA-C-N 115.99 -0.55 . . . . 0.0 110.274 179.971 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . 95.31 -14.39 65.18 Favored Glycine 0 CA--C 1.524 0.632 0 N-CA-C 110.759 -0.937 . . . . 0.0 110.759 -179.791 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 46.7 t -67.31 141.24 57.24 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 120.705 0.288 . . . . 0.0 110.401 179.835 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 32' ' ' ARG . . . . . 0.452 HH12 ' NH1' ' A' ' 41' ' ' ARG . 69.1 ttp85 -106.64 123.62 48.39 Favored 'General case' 0 N--CA 1.464 0.253 0 CA-C-O 120.865 0.364 . . . . 0.0 110.444 179.85 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 2.8 m -145.86 165.74 9.67 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.232 0 CA-C-N 115.988 -0.551 . . . . 0.0 110.354 179.781 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 34' ' ' GLU . . . . . 0.435 ' O ' ' CG ' ' A' ' 34' ' ' GLU . 8.4 pt-20 -113.27 126.14 55.08 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.177 179.174 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 35' ' ' VAL . . . . . 0.403 ' O ' ' O ' ' A' ' 38' ' ' LYS . 15.0 t -65.23 133.81 30.18 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 N-CA-C 109.93 -0.396 . . . . 0.0 109.93 -179.975 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 25.4 mm -74.84 132.22 33.7 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.51 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.888 -179.243 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 93.31 -36.58 3.67 Favored Glycine 0 CA--C 1.525 0.674 0 N-CA-C 111.049 -0.82 . . . . 0.0 111.049 179.554 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 38' ' ' LYS . . . . . 0.403 ' O ' ' O ' ' A' ' 35' ' ' VAL . 59.9 pttt -161.28 -142.97 0.09 Allowed 'General case' 0 C--N 1.328 -0.352 0 N-CA-C 110.228 -0.286 . . . . 0.0 110.228 179.991 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 39' ' ' GLY . . . . . 0.463 ' O ' ' O ' ' A' ' 40' ' ' HIS . . . 37.65 78.39 0.05 OUTLIER Glycine 0 CA--C 1.524 0.631 0 N-CA-C 111.279 -0.729 . . . . 0.0 111.279 179.739 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 40' ' ' HIS . . . . . 0.567 ' CE1' ' HZ3' ' A' ' 66' ' ' LYS . 57.1 m170 -45.57 175.84 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.893 0.378 . . . . 0.0 110.6 -179.797 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 41' ' ' ARG . . . . . 0.452 ' NH1' HH12 ' A' ' 32' ' ' ARG . 90.9 mtt-85 -44.91 144.84 1.07 Allowed 'General case' 0 C--N 1.326 -0.418 0 CA-C-N 116.331 -0.395 . . . . 0.0 110.747 -179.675 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -167.83 170.84 42.06 Favored Glycine 0 CA--C 1.523 0.543 0 N-CA-C 110.764 -0.934 . . . . 0.0 110.764 -179.708 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 58.5 m -121.81 131.74 54.22 Favored 'General case' 0 N--CA 1.465 0.322 0 CA-C-O 120.921 0.391 . . . . 0.0 110.531 -179.69 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 90.4 t -68.5 132.58 32.76 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.251 0 CA-C-N 116.038 -0.528 . . . . 0.0 110.204 -179.723 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -124.8 -46.17 1.86 Allowed 'General case' 0 N--CA 1.463 0.188 0 CA-C-N 116.359 -0.382 . . . . 0.0 110.439 -179.768 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 46' ' ' TYR . . . . . . . . . . . . . 74.4 t80 -117.19 120.04 37.05 Favored 'General case' 0 N--CA 1.467 0.411 0 CA-C-N 116.385 -0.37 . . . . 0.0 110.285 179.875 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 47' ' ' VAL . . . . . . . . . . . . . 2.7 p -132.71 123.35 48.91 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.205 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.444 179.925 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 160.51 -179.78 35.8 Favored Glycine 0 CA--C 1.521 0.461 0 N-CA-C 110.682 -0.967 . . . . 0.0 110.682 179.439 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -99.56 112.81 24.97 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.808 0.337 . . . . 0.0 110.33 179.463 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 50' ' ' THR . . . . . 0.408 ' O ' ' O ' ' A' ' 53' ' ' ALA . 76.6 p -78.7 145.87 34.28 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.091 -0.504 . . . . 0.0 110.485 179.85 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 51' ' ' LEU . . . . . 0.564 HD22 ' N ' ' A' ' 51' ' ' LEU . 3.9 mm? -67.23 -15.09 63.49 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.471 -179.885 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 52' ' ' PHE . . . . . . . . . . . . . 80.8 t80 -69.93 -29.46 66.63 Favored 'General case' 0 C--N 1.325 -0.496 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.404 -180.0 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 53' ' ' ALA . . . . . 0.408 ' O ' ' O ' ' A' ' 50' ' ' THR . . . -151.48 145.79 25.45 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-O 120.851 0.358 . . . . 0.0 110.419 179.759 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 54' ' ' THR . . . . . 0.489 HG22 ' N ' ' A' ' 55' ' ' GLY . 32.5 m -80.63 160.53 25.04 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.364 -179.889 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 55' ' ' GLY . . . . . 0.489 ' N ' HG22 ' A' ' 54' ' ' THR . . . 106.5 -138.58 14.47 Favored Glycine 0 N--CA 1.463 0.461 0 N-CA-C 110.604 -0.998 . . . . 0.0 110.604 179.939 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 88.6 tttt -136.56 119.02 15.8 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.785 0.326 . . . . 0.0 110.388 -179.946 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 57' ' ' TRP . . . . . . . . . . . . . 20.5 m95 -112.86 132.42 55.3 Favored 'General case' 0 N--CA 1.464 0.241 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.124 179.708 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 58' ' ' VAL . . . . . . . . . . . . . 59.0 t -124.95 125.54 69.78 Favored 'Isoleucine or valine' 0 N--CA 1.462 0.154 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.447 179.888 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . -98.23 113.17 4.65 Favored Glycine 0 CA--C 1.52 0.399 0 N-CA-C 110.093 -1.203 . . . . 0.0 110.093 179.569 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 60' ' ' VAL . . . . . . . . . . . . . 20.5 t -111.12 130.91 63.73 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.282 0 CA-C-O 121.107 0.479 . . . . 0.0 110.697 -179.523 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 61' ' ' ILE . . . . . 0.669 HD12 ' N ' ' A' ' 61' ' ' ILE . 1.6 mp -85.03 103.46 12.21 Favored 'Isoleucine or valine' 0 CA--C 1.517 -0.292 0 CA-C-N 115.927 -0.578 . . . . 0.0 109.528 179.157 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 62' ' ' LEU . . . . . 0.665 HD12 ' CB ' ' A' ' 66' ' ' LYS . 7.8 mt -75.08 144.78 42.77 Favored 'General case' 0 C--N 1.321 -0.651 0 CA-C-N 115.978 -0.555 . . . . 0.0 111.043 -179.323 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 63' ' ' ASP . . . . . 0.454 ' OD1' ' N ' ' A' ' 63' ' ' ASP . 29.9 p-10 -74.73 -40.86 61.03 Favored 'General case' 0 C--N 1.325 -0.493 0 CA-C-N 116.06 -0.518 . . . . 0.0 110.804 179.384 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 64' ' ' GLU . . . . . 0.431 ' N ' ' OD1' ' A' ' 63' ' ' ASP . 41.5 tp10 -79.18 149.45 31.96 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.23 179.994 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -59.23 95.87 0.03 OUTLIER 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.38 -0.373 . . . . 0.0 110.787 179.967 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 66' ' ' LYS . . . . . 0.665 ' CB ' HD12 ' A' ' 62' ' ' LEU . 18.3 tptt -109.57 112.06 23.93 Favored 'General case' 0 N--CA 1.461 0.079 0 CA-C-O 121.538 0.685 . . . . 0.0 109.887 179.885 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . -45.44 105.41 0.09 OUTLIER Glycine 0 N--CA 1.445 -0.709 0 C-N-CA 120.436 -0.887 . . . . 0.0 111.945 -179.342 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 52.7 tptt -165.49 133.16 2.99 Favored 'General case' 0 C--N 1.323 -0.556 0 CA-C-N 115.388 -0.406 . . . . 0.0 110.509 179.14 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 69' ' ' ASN . . . . . . . . . . . . . 31.3 p-10 -100.48 123.61 44.93 Favored 'General case' 0 N--CA 1.464 0.253 0 CA-C-N 116.324 -0.398 . . . . 0.0 110.821 179.215 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 -121.88 103.15 8.64 Favored 'General case' 0 N--CA 1.469 0.475 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.3 179.425 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . -176.79 -150.4 8.26 Favored Glycine 0 CA--C 1.524 0.603 0 N-CA-C 110.964 -0.854 . . . . 0.0 110.964 179.684 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 72' ' ' THR . . . . . . . . . . . . . 1.7 p -77.06 125.13 28.82 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-O 120.853 0.358 . . . . 0.0 110.412 -179.679 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 73' ' ' VAL . . . . . . . . . . . . . 16.3 m -143.18 147.64 20.22 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.456 179.917 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 74' ' ' GLN . . . . . . . . . . . . . 98.9 mm-40 56.13 19.51 3.84 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.609 179.996 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . 77.03 16.88 80.36 Favored Glycine 0 CA--C 1.523 0.584 0 N-CA-C 111.026 -0.83 . . . . 0.0 111.026 179.64 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 76' ' ' ARG . . . . . . . . . . . . . 96.5 mtt-85 -128.72 134.44 48.46 Favored 'General case' 0 N--CA 1.464 0.271 0 CA-C-O 120.913 0.387 . . . . 0.0 110.054 -179.907 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 63.1 tttm -104.27 104.08 13.93 Favored 'General case' 0 C--N 1.331 -0.203 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.495 179.9 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 78' ' ' TYR . . . . . . . . . . . . . 88.1 m-85 -90.82 -52.02 5.07 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.515 179.503 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 79' ' ' PHE . . . . . . . . . . . . . 3.2 p90 -156.76 161.97 39.77 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.338 -179.976 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 80' ' ' THR . . . . . . . . . . . . . 92.9 m -127.86 129.12 46.4 Favored 'General case' 0 N--CA 1.466 0.342 0 CA-C-N 116.085 -0.507 . . . . 0.0 110.678 179.978 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 81' ' ' CYS . . . . . . . . . . . . . 10.3 m -154.09 154.99 34.61 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.005 -0.543 . . . . 0.0 110.142 179.674 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 82' ' ' ASP . . . . . . . . . . . . . 90.9 m-20 -56.2 138.18 50.58 Favored 'General case' 0 C--O 1.237 0.403 0 CA-C-O 121.296 0.569 . . . . 0.0 110.399 -179.861 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 82.1 tt0 -57.9 131.37 50.2 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 115.845 -0.616 . . . . 0.0 109.926 -179.776 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 84' ' ' GLY . . . . . 0.463 ' O ' ' O ' ' A' ' 66' ' ' LYS . . . 115.46 -8.69 20.07 Favored Glycine 0 CA--C 1.523 0.548 0 N-CA-C 110.549 -1.02 . . . . 0.0 110.549 -179.753 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 85' ' ' HIS . . . . . 0.543 ' ND1' ' O ' ' A' ' 62' ' ' LEU . 14.2 m-70 -139.81 168.28 20.19 Favored 'General case' 0 N--CA 1.463 0.224 0 CA-C-O 120.707 0.289 . . . . 0.0 110.472 -179.966 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 86' ' ' GLY . . . . . . . . . . . . . . . 95.9 44.23 3.14 Favored Glycine 0 CA--C 1.522 0.523 0 N-CA-C 111.019 -0.833 . . . . 0.0 111.019 179.786 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 87' ' ' ILE . . . . . . . . . . . . . 7.2 tp -73.18 145.44 11.74 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.421 0 CA-C-O 120.745 0.307 . . . . 0.0 110.609 -179.855 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 88' ' ' PHE . . . . . 0.538 ' O ' ' CD2' ' A' ' 88' ' ' PHE . 52.3 p90 -92.83 121.3 34.07 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-O 120.907 0.384 . . . . 0.0 110.178 179.566 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 89' ' ' VAL . . . . . . . . . . . . . 11.9 m -138.3 167.26 21.95 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.085 -0.507 . . . . 0.0 110.404 -179.775 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 90' ' ' ARG . . . . . . . . . . . . . 86.7 mtm-85 -112.74 179.1 4.07 Favored 'General case' 0 N--CA 1.465 0.301 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.28 -179.854 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 91' ' ' GLN . . . . . 0.448 ' O ' ' O ' ' A' ' 94' ' ' ILE . 87.8 mt-30 -66.26 -32.34 73.7 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.048 -0.524 . . . . 0.0 110.497 179.792 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 10.7 t -61.56 -42.21 98.5 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.6 179.866 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 93' ' ' GLN . . . . . . . . . . . . . 7.8 mm100 -69.39 -38.39 77.95 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.518 -179.701 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 94' ' ' ILE . . . . . 0.448 ' O ' ' O ' ' A' ' 91' ' ' GLN . 96.4 mt -91.61 120.96 41.59 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.498 179.721 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 95' ' ' GLN . . . . . . . . . . . . . 98.8 mm-40 -107.83 114.95 29.27 Favored 'General case' 0 N--CA 1.465 0.288 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.131 179.406 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 96' ' ' VAL . . . . . . . . . . . . . 86.2 t -70.93 133.17 32.33 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 115.862 -0.608 . . . . 0.0 110.204 -179.846 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 97' ' ' PHE . . . . . . . . . . . . . 92.7 t80 . . . . . 0 C--O 1.219 -0.517 0 CA-C-O 118.141 -0.933 . . . . 0.0 110.453 179.856 . . . . . . . . 0 0 . 1 stop_ save_